content
stringlengths 7
1.05M
| fixed_cases
stringlengths 1
1.28M
|
|---|---|
# Converts a given temperature from Celsius to Fahrenheit
# Prompt user for Celsius temperature
degreesCelsius = float(input('\nEnter the temperature in Celsius: '))
# Calculate and display the converted
# temperature in Fahrenheit
degreesFahrenheit = ((9.0 / 5.0) * degreesCelsius) + 32
print('Fahrenheit equivalent: ', format(degreesFahrenheit, ',.1f'), '\n', sep='') | degrees_celsius = float(input('\nEnter the temperature in Celsius: '))
degrees_fahrenheit = 9.0 / 5.0 * degreesCelsius + 32
print('Fahrenheit equivalent: ', format(degreesFahrenheit, ',.1f'), '\n', sep='') |
class Solution:
def subtractProductAndSum(self, n: int) -> int:
x = n
add = 0
mul = 1
while x > 0 :
add += x%10
mul *= x%10
x = x//10
return mul - add
| class Solution:
def subtract_product_and_sum(self, n: int) -> int:
x = n
add = 0
mul = 1
while x > 0:
add += x % 10
mul *= x % 10
x = x // 10
return mul - add |
"""Helper initialising functions
"""
#pylint: disable=I0011, C0321, C0301, C0103, C0325, R0902, R0913, no-member, E0213
def init_fuel_tech_p_by(all_enduses_with_fuels, nr_of_fueltypes):
"""Helper function to define stocks for all enduse and fueltype
Parameters
----------
all_enduses_with_fuels : dict
Provided fuels
nr_of_fueltypes : int
Nr of fueltypes
Returns
-------
fuel_tech_p_by : dict
"""
fuel_tech_p_by = {}
for enduse in all_enduses_with_fuels:
fuel_tech_p_by[enduse] = dict.fromkeys(range(nr_of_fueltypes), {})
return fuel_tech_p_by
def dict_zero(first_level_keys):
"""Initialise a dictionary with one level
Parameters
----------
first_level_keys : list
First level data
Returns
-------
one_level_dict : dict
dictionary
"""
one_level_dict = dict.fromkeys(first_level_keys, 0) # set zero as argument
return one_level_dict
def service_type_tech_by_p(lu_fueltypes, fuel_tech_p_by):
"""Initialise dict and fill with zeros
Parameters
----------
lu_fueltypes : dict
Look-up dictionary
fuel_tech_p_by : dict
Fuel fraction per technology for base year
Return
-------
service_fueltype_tech_by_p : dict
Fraction of service per fueltype and technology for base year
"""
service_fueltype_tech_by_p = {}
for fueltype_int in lu_fueltypes.values():
service_fueltype_tech_by_p[fueltype_int] = dict.fromkeys(fuel_tech_p_by[fueltype_int].keys(), 0)
return service_fueltype_tech_by_p
| """Helper initialising functions
"""
def init_fuel_tech_p_by(all_enduses_with_fuels, nr_of_fueltypes):
"""Helper function to define stocks for all enduse and fueltype
Parameters
----------
all_enduses_with_fuels : dict
Provided fuels
nr_of_fueltypes : int
Nr of fueltypes
Returns
-------
fuel_tech_p_by : dict
"""
fuel_tech_p_by = {}
for enduse in all_enduses_with_fuels:
fuel_tech_p_by[enduse] = dict.fromkeys(range(nr_of_fueltypes), {})
return fuel_tech_p_by
def dict_zero(first_level_keys):
"""Initialise a dictionary with one level
Parameters
----------
first_level_keys : list
First level data
Returns
-------
one_level_dict : dict
dictionary
"""
one_level_dict = dict.fromkeys(first_level_keys, 0)
return one_level_dict
def service_type_tech_by_p(lu_fueltypes, fuel_tech_p_by):
"""Initialise dict and fill with zeros
Parameters
----------
lu_fueltypes : dict
Look-up dictionary
fuel_tech_p_by : dict
Fuel fraction per technology for base year
Return
-------
service_fueltype_tech_by_p : dict
Fraction of service per fueltype and technology for base year
"""
service_fueltype_tech_by_p = {}
for fueltype_int in lu_fueltypes.values():
service_fueltype_tech_by_p[fueltype_int] = dict.fromkeys(fuel_tech_p_by[fueltype_int].keys(), 0)
return service_fueltype_tech_by_p |
# Implementation of Shell Sort algorithm in Python
def shellSort(arr):
interval = 1
# Initializes interval
while (interval < (len(arr) // 3)):
interval = (interval * 3) + 1
while (interval > 0):
for i in range(interval, len(arr)):
# Select val to be inserted
val = arr[i]
j = i
# Shift element right
while ((j > interval - 1) and (arr[j - interval] >= val)):
arr[j] = arr[j - interval]
j -= interval
# Insert val at hole position
arr[j] = val
# Calculate interval
interval = (interval - 1) / 3
l = [4, 1, 2, 5, 3]
print("Initial list: " + str(l))
shellSort(l)
print("Sorted list: " + str(l))
| def shell_sort(arr):
interval = 1
while interval < len(arr) // 3:
interval = interval * 3 + 1
while interval > 0:
for i in range(interval, len(arr)):
val = arr[i]
j = i
while j > interval - 1 and arr[j - interval] >= val:
arr[j] = arr[j - interval]
j -= interval
arr[j] = val
interval = (interval - 1) / 3
l = [4, 1, 2, 5, 3]
print('Initial list: ' + str(l))
shell_sort(l)
print('Sorted list: ' + str(l)) |
"""Classes implementing the descriptor protocol."""
__all__ = ("classproperty",)
class classproperty:
"""Like the builtin :py:func:`property` but takes a single classmethod.
Essentially, it allows you to use a property on a class itself- not
just on its instances.
Used like this:
>>> from snakeoil.descriptors import classproperty
>>> class foo:
...
... @classproperty
... def test(cls):
... print("invoked")
... return True
>>> foo.test
invoked
True
>>> foo().test
invoked
True
"""
def __init__(self, getter):
self.getter = getter
def __get__(self, instance, owner):
return self.getter(owner)
| """Classes implementing the descriptor protocol."""
__all__ = ('classproperty',)
class Classproperty:
"""Like the builtin :py:func:`property` but takes a single classmethod.
Essentially, it allows you to use a property on a class itself- not
just on its instances.
Used like this:
>>> from snakeoil.descriptors import classproperty
>>> class foo:
...
... @classproperty
... def test(cls):
... print("invoked")
... return True
>>> foo.test
invoked
True
>>> foo().test
invoked
True
"""
def __init__(self, getter):
self.getter = getter
def __get__(self, instance, owner):
return self.getter(owner) |
TASK_STATUS = [
('TD', 'To Do'),
('IP', 'In Progress'),
('QA', 'Testing'),
('DO', 'Done'),
]
TASK_PRIORITY = [
('ME', 'Medium'),
('HI', 'Highest'),
('HG', 'High'),
('LO', 'Lowest'),
]
| task_status = [('TD', 'To Do'), ('IP', 'In Progress'), ('QA', 'Testing'), ('DO', 'Done')]
task_priority = [('ME', 'Medium'), ('HI', 'Highest'), ('HG', 'High'), ('LO', 'Lowest')] |
def main():
total = 0
for i in range(0, 1000):
if i % 3 == 0:
total += i
elif i % 5 == 0:
total += i
print(total)
if __name__ == '__main__':
main()
| def main():
total = 0
for i in range(0, 1000):
if i % 3 == 0:
total += i
elif i % 5 == 0:
total += i
print(total)
if __name__ == '__main__':
main() |
class BaseTransform:
def transform_s(self, s, training=True):
return s
def transform_batch(self, batch, training=True):
return batch
def write_logs(self, logger):
pass
| class Basetransform:
def transform_s(self, s, training=True):
return s
def transform_batch(self, batch, training=True):
return batch
def write_logs(self, logger):
pass |
elements = {
'em': '',
'blockquote': '<br/>'
}
| elements = {'em': '', 'blockquote': '<br/>'} |
def rate_diff_percentage(previous_rate, current_rate, percentage=False):
diff_percentage = (current_rate - previous_rate) / previous_rate
if percentage:
return diff_percentage * 100
return diff_percentage | def rate_diff_percentage(previous_rate, current_rate, percentage=False):
diff_percentage = (current_rate - previous_rate) / previous_rate
if percentage:
return diff_percentage * 100
return diff_percentage |
# Assume that we execute the following assignment statements
# width = 17
# height = 12.0
width = 17
height = 12.0
value_1 = width // 2
value_2 = width / 2.0
value_3 = height / 3
value_4 = 1 + 2 * 5
print(f"value_1 is {value_1} and it's type is {type(value_1)}")
print(f"value_2 is {value_2} and it's type is {type(value_2)}")
print(f"value_3 is {value_3} and it's type is {type(value_3)}")
print(f"value_4 is {value_4} and it's type is {type(value_4)}")
| width = 17
height = 12.0
value_1 = width // 2
value_2 = width / 2.0
value_3 = height / 3
value_4 = 1 + 2 * 5
print(f"value_1 is {value_1} and it's type is {type(value_1)}")
print(f"value_2 is {value_2} and it's type is {type(value_2)}")
print(f"value_3 is {value_3} and it's type is {type(value_3)}")
print(f"value_4 is {value_4} and it's type is {type(value_4)}") |
class Solution:
def mostVisited(self, n: int, rounds: List[int]) -> List[int]:
start, end = rounds[0], rounds[-1]
if end >= start:
return list(range(start, end + 1))
else:
return list(range(1, end + 1)) + list(range(start, n + 1))
| class Solution:
def most_visited(self, n: int, rounds: List[int]) -> List[int]:
(start, end) = (rounds[0], rounds[-1])
if end >= start:
return list(range(start, end + 1))
else:
return list(range(1, end + 1)) + list(range(start, n + 1)) |
"""
SleekXMPP: The Sleek XMPP Library
Copyright (C) 2010 Nathanael C. Fritz
This file is part of SleekXMPP.
See the file LICENSE for copying permission.
"""
__all__ = ['xep_0004', 'xep_0012', 'xep_0030', 'xep_0033', 'xep_0045',
'xep_0050', 'xep_0085', 'xep_0092', 'xep_0199', 'gmail_notify',
'xep_0060', 'xep_0202']
| """
SleekXMPP: The Sleek XMPP Library
Copyright (C) 2010 Nathanael C. Fritz
This file is part of SleekXMPP.
See the file LICENSE for copying permission.
"""
__all__ = ['xep_0004', 'xep_0012', 'xep_0030', 'xep_0033', 'xep_0045', 'xep_0050', 'xep_0085', 'xep_0092', 'xep_0199', 'gmail_notify', 'xep_0060', 'xep_0202'] |
class Solution(object):
def reverseVowels(self, s):
"""
:type s: str
:rtype: str
"""
vowels = set("aeiouAEIOU")
s = list(s)
i = 0
j = len(s) - 1
while i < j:
while i < j and s[i] not in vowels:
i += 1
while i < j and s[j] not in vowels:
j -= 1
if i < j:
s[i], s[j] = s[j], s[i]
i += 1
j -= 1
return ''.join(s) | class Solution(object):
def reverse_vowels(self, s):
"""
:type s: str
:rtype: str
"""
vowels = set('aeiouAEIOU')
s = list(s)
i = 0
j = len(s) - 1
while i < j:
while i < j and s[i] not in vowels:
i += 1
while i < j and s[j] not in vowels:
j -= 1
if i < j:
(s[i], s[j]) = (s[j], s[i])
i += 1
j -= 1
return ''.join(s) |
__author__ = 'Evan Cordell'
__copyright__ = 'Copyright 2012-2015 Localmed, Inc.'
__version__ = "0.1.6"
__version_info__ = tuple(__version__.split('.'))
__short_version__ = __version__
| __author__ = 'Evan Cordell'
__copyright__ = 'Copyright 2012-2015 Localmed, Inc.'
__version__ = '0.1.6'
__version_info__ = tuple(__version__.split('.'))
__short_version__ = __version__ |
# -*- coding: utf-8 -*-
# Copyright (c) 2013 Australian Government, Department of the Environment
#
# Permission is hereby granted, free of charge, to any person obtaining a copy
# of this software and associated documentation files (the "Software"), to deal
# in the Software without restriction, including without limitation the rights
# to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
# copies of the Software, and to permit persons to whom the Software is
# furnished to do so, subject to the following conditions:
#
# The above copyright notice and this permission notice shall be included in
# all copies or substantial portions of the Software.
#
# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
# AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
# OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
# THE SOFTWARE.
'''
base 64 encoded gif images for the GUI buttons
'''
class app_img:
format='gif'
data='''R0lGODlhEAAQAOeRACcLIiAbCSAjCjMdMzsfMjUkGUcmRjwwJ0YqRj4xJVwoUFguRkU2MS0/LzQ8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'''
class shp_img:
format='gif'
data='''R0lGODlhEAAQAMIFABAQEIBnII+HgLS0pfDwsC8gIC8gIC8gICH5BAEKAAcALAAAAAAQABAAAAND
eLrcJzBKqcQIN+MtwAvTNHTPSJwoQAigxwpouo4urZ7364I4cM8kC0x20n2GRGEtJGl9NFBMkBny
HHzYrNbB7XoXCQA7'''
class dir_img:
format='gif',
data='''R0lGODlhEAAQAMZUABAQEB8QEB8YEC8gIC8vIEA4ME9IQF9IIFpTSWBXQHBfUFBoj3NlRoBnII9v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'''
class xls_img:
format='gif'
data='''R0lGODlhEAAQAPcAAAAAAIAAAACAAICAAAAAgIAAgACAgICAgMDAwP8AAAD/AP//AAAA//8A/wD/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'''
class xsl_img:
format='gif'
data='''R0lGODdhEAAQAOMPAAAAAAAAgAAAmQAA/zNmmQCAgDNm/zOZAIaGhjOZ/zPM/8DAwKbK8DP///Hx
8f///ywBAAAADwAQAAAEWBDJSeW76Or9Vn4f5zzOAp5kOo5AC2QOMxaFQcrP+zDCUzyNROAhkL14
pEJDcQiMijqkIXEYDIsOXWwU6N5Yn5VKpSWYz2fwRcwmldFo9bidhc3Hrrw+HwEAOw=='''
class log_img:
format='gif'
data='''R0lGODlhEAAQAIQQAG9s0oJ5eatyP6tycpePj6ulP6ulctWeOaulpdWentXSOcvHx9XS0v/MzP//
zP///y8gIC8gIC8gIC8gIC8gIC8gIC8gIC8gIC8gIC8gIC8gIC8gIC8gIC8gIC8gIC8gICH5BAEK
ABAALAAAAAAQABAAAAViICSOUNMwjEOOhyIUyhAbzMoAgJAQi9EjtRGAIXgUjw9CUDR8OJ9OJakJ
fUqFjCSBZ11CqNWkt7ndLqLjbFg8zZa5bOw6znSfoVfm3clYIP5eEH4EAQFlCAsrEH2ICygoJCEA
Ow=='''
| """
base 64 encoded gif images for the GUI buttons
"""
class App_Img:
format = 'gif'
data = 'R0lGODlhEAAQAOeRACcLIiAbCSAjCjMdMzsfMjUkGUcmRjwwJ0YqRj4xJVwoUFguRkU2MS0/LzQ8\n PC8/LzM+QTJCMDJCQTpCQCxIME1CIXQyYW48KTpLO1REPEpKSktKS01KSkpLSkxLTE1LS0VNUDtS\n PD9PT0tMTExMTE1MTUxNTU1NTU5NTUFUQFFOTkZRU1BPTU9QUUVTVF9PO1JUVVRVSnlNMEVeRlZX\n W1ZYVVZYWF5XVFBdUkpfX2RZXIZMgVtdX11eX1tfW1xfW1tfXqZEkFtgW2NfYWZgW2tdal9iXk9m\n Z19iYk9pTqZIn5lNlU1rTp1XOF9lZVxnXF5oXlNrZ59eM1FzU1dyVcVItJJmSl5ycq1Wp1t0cLlU\n tWB1eF52dmKBY12DX9RWwGN/f+RSzaVzTdNbxmaEhLlzRdFhs2WJZWeJZmOMZ7Z2UXGGhm2IiGqJ\n iKV+VmuKimyKi26Ojm2ScnGQkGuWb22Wb3OTk+xp2+dr5eF73Pl154SfoMKYeIampoimptiYbPuB\n 8viD8I2sq/KJ7pOtrZGuruebbpGvr/+I/Ja1tdqrf9i3i/iweviwhP+zhf/Hif/Lpf//////////\n ////////////////////////////////////////////////////////////////////////////\n ////////////////////////////////////////////////////////////////////////////\n ////////////////////////////////////////////////////////////////////////////\n ////////////////////////////////////////////////////////////////////////////\n ////////////////////////////////////////////////////////////////////////////\n /////////////////////////////////////////////////////yH5BAEKAP8ALAAAAAAQABAA\n AAjRAP8JHEiwoMGBGk6MOChQgwYgEnJwcdGjoAYbIo5EyQIGjh02axyYIOjkSqI4bci8mdPnECEk\n Ggi2WFHIj6A9WyDQgEFiYIcfKR5MAMHDhJAQTCLUIGgEQ5cZDZKgqUMnDRUfMQVu8ADFi5wzUyjg\n KLEh6z8PCAZhGfIEBQALZgAtMUCwyI48Y6roQRToThglAzYMZEFkgRY8X4Io0CEgBkENByDxYUAg\n QAU3jB6JKUBQxYtFigw5avSnjBQZN8wKTGBFTZMLGRwy/Mfhg2qCAQEAOw=='
class Shp_Img:
format = 'gif'
data = 'R0lGODlhEAAQAMIFABAQEIBnII+HgLS0pfDwsC8gIC8gIC8gICH5BAEKAAcALAAAAAAQABAAAAND\n eLrcJzBKqcQIN+MtwAvTNHTPSJwoQAigxwpouo4urZ7364I4cM8kC0x20n2GRGEtJGl9NFBMkBny\n HHzYrNbB7XoXCQA7'
class Dir_Img:
format = ('gif',)
data = 'R0lGODlhEAAQAMZUABAQEB8QEB8YEC8gIC8vIEA4ME9IQF9IIFpTSWBXQHBfUFBoj3NlRoBnII9v\n IIBwUGB3kH93YIZ5UZ94IJB/YIqAcLB/EI+IcICHn4+HgMCHEI6Oe4CPn4+PgMCQANCHEJ+PgICX\n r9CQANCQEJ+XgJKanaCgkK+fgJykoaKjo7CgkKimk+CfIKKoo6uoleCgMLCnkNCnUKuwpLSvkrSv\n mfCoMLWyn7+wkM+vcLS0pfCwML+4kPC3QNDAgM+/kPDAQP+/UODIgP/IUODQoP/QUPDQgP/QYP/P\n cPDYgP/XYP/XcP/YgPDgkP/ggP/gkPDnoP/noPDwoPDwsP/woP//////////////////////////\n ////////////////////////////////////////////////////////////////////////////\n /////////////////////////////////////////////////////////////////////////yH5\n BAEKAH8ALAAAAAAQABAAAAe1gH+Cg4SFhoQyHBghKIeEECV/ORwtEDYwmJg0hikLCzBDUlJTUCoz\n hZ4LKlGjUFBKJiQkIB0XgypPpFBLSb2+toImT643N5gnJ7IgIBkXJExQQTBN1NVNSkoxFc9OMDtK\n vkZEQjwvDC4gSNJNR0lGRkI/PDoNEn8gRTA+Su9CQPM1PhxY8SdDj2nw4umowWJEAwSCLqjAIaKi\n Bw0WLExwcGBDRAoRHihIYKAAgQECAARwxFJQIAA7'
class Xls_Img:
format = 'gif'
data = 'R0lGODlhEAAQAPcAAAAAAIAAAACAAICAAAAAgIAAgACAgICAgMDAwP8AAAD/AP//AAAA//8A/wD/\n /////wAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA\n AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAMwAAZgAAmQAAzAAA/wAzAAAzMwAzZgAzmQAzzAAz/wBm\n AABmMwBmZgBmmQBmzABm/wCZAACZMwCZZgCZmQCZzACZ/wDMAADMMwDMZgDMmQDMzADM/wD/AAD/\n MwD/ZgD/mQD/zAD//zMAADMAMzMAZjMAmTMAzDMA/zMzADMzMzMzZjMzmTMzzDMz/zNmADNmMzNm\n ZjNmmTNmzDNm/zOZADOZMzOZZjOZmTOZzDOZ/zPMADPMMzPMZjPMmTPMzDPM/zP/ADP/MzP/ZjP/\n mTP/zDP//2YAAGYAM2YAZmYAmWYAzGYA/2YzAGYzM2YzZmYzmWYzzGYz/2ZmAGZmM2ZmZmZmmWZm\n zGZm/2aZAGaZM2aZZmaZmWaZzGaZ/2bMAGbMM2bMZmbMmWbMzGbM/2b/AGb/M2b/Zmb/mWb/zGb/\n /5kAAJkAM5kAZpkAmZkAzJkA/5kzAJkzM5kzZpkzmZkzzJkz/5lmAJlmM5lmZplmmZlmzJlm/5mZ\n AJmZM5mZZpmZmZmZzJmZ/5nMAJnMM5nMZpnMmZnMzJnM/5n/AJn/M5n/Zpn/mZn/zJn//8wAAMwA\n M8wAZswAmcwAzMwA/8wzAMwzM8wzZswzmcwzzMwz/8xmAMxmM8xmZsxmmcxmzMxm/8yZAMyZM8yZ\n ZsyZmcyZzMyZ/8zMAMzMM8zMZszMmczMzMzM/8z/AMz/M8z/Zsz/mcz/zMz///8AAP8AM/8AZv8A\n mf8AzP8A//8zAP8zM/8zZv8zmf8zzP8z//9mAP9mM/9mZv9mmf9mzP9m//+ZAP+ZM/+ZZv+Zmf+Z\n zP+Z///MAP/MM//MZv/Mmf/MzP/M////AP//M///Zv//mf//zP///ywAAAAAEAAQAAAIngBfuUKF\n ipBBg4MS9umTJYsrBAheSZwokGBBhwgeaNzIUSOhLKgydhz5EdWrB4oOelT5kdDJLwgUKRpEKOUX\n Gtpannzw5ZVNQje15czicmNPg1lwCtW5EeirQV+IEtI2iOjOmh9dQc2SimqWQa4efGzYcGZUr4NQ\n ddSWimwWr33UahRKly61qn0Iza1rl9qXKVIPIkyY8Mtft4gTTwkIADs='
class Xsl_Img:
format = 'gif'
data = 'R0lGODdhEAAQAOMPAAAAAAAAgAAAmQAA/zNmmQCAgDNm/zOZAIaGhjOZ/zPM/8DAwKbK8DP///Hx\n 8f///ywBAAAADwAQAAAEWBDJSeW76Or9Vn4f5zzOAp5kOo5AC2QOMxaFQcrP+zDCUzyNROAhkL14\n pEJDcQiMijqkIXEYDIsOXWwU6N5Yn5VKpSWYz2fwRcwmldFo9bidhc3Hrrw+HwEAOw=='
class Log_Img:
format = 'gif'
data = 'R0lGODlhEAAQAIQQAG9s0oJ5eatyP6tycpePj6ulP6ulctWeOaulpdWentXSOcvHx9XS0v/MzP//\n zP///y8gIC8gIC8gIC8gIC8gIC8gIC8gIC8gIC8gIC8gIC8gIC8gIC8gIC8gIC8gIC8gICH5BAEK\n ABAALAAAAAAQABAAAAViICSOUNMwjEOOhyIUyhAbzMoAgJAQi9EjtRGAIXgUjw9CUDR8OJ9OJakJ\n fUqFjCSBZ11CqNWkt7ndLqLjbFg8zZa5bOw6znSfoVfm3clYIP5eEH4EAQFlCAsrEH2ICygoJCEA\n Ow==' |
def is_true(a,b,c,d,e,f,g):
if a>10:
print(10) | def is_true(a, b, c, d, e, f, g):
if a > 10:
print(10) |
"""
Sliding window
Given a string S, return the number of substrings of length K with no
repeated characters.
Example 1:
Input: S = "havefunonleetcode", K = 5 Output: 6 Explanation: There are 6
substrings they are : 'havef','avefu','vefun','efuno','etcod','tcode'.
counter havefunonleetcode
IDEA:
1) for each letter in the string setup a counter and
2) update unique counter each time when counter[let] hits 0, 1 or 2 (magic numbers)
aaabac
|||
123
0) a:3 unique=0
1) a:2 b:1 unique=1
2) a:2 b:1 unique=1
3) a:2 b:1 c:1 unique=1+2=3
"""
class Solution1100:
pass
| """
Sliding window
Given a string S, return the number of substrings of length K with no
repeated characters.
Example 1:
Input: S = "havefunonleetcode", K = 5 Output: 6 Explanation: There are 6
substrings they are : 'havef','avefu','vefun','efuno','etcod','tcode'.
counter havefunonleetcode
IDEA:
1) for each letter in the string setup a counter and
2) update unique counter each time when counter[let] hits 0, 1 or 2 (magic numbers)
aaabac
|||
123
0) a:3 unique=0
1) a:2 b:1 unique=1
2) a:2 b:1 unique=1
3) a:2 b:1 c:1 unique=1+2=3
"""
class Solution1100:
pass |
#~ Copyright 2014 Wieger Wesselink.
#~ Distributed under the Boost Software License, Version 1.0.
#~ (See accompanying file LICENSE_1_0.txt or http://www.boost.org/LICENSE_1_0.txt)
def read_text(filename):
with open(filename, 'r') as f:
return f.read()
def write_text(filename, text):
with open(filename, 'w') as f:
f.write(text)
| def read_text(filename):
with open(filename, 'r') as f:
return f.read()
def write_text(filename, text):
with open(filename, 'w') as f:
f.write(text) |
def is_descending(input_list: list, step: int = -1) -> bool:
r"""llogic.is_descending(input_list[, step])
This function returns True if the input list is descending with a fixed
step, otherwise it returns False. Usage:
>>> alist = [3, 2, 1, 0]
>>> llogic.is_descending(alist)
True
The final value can be other than zero:
>>> alist = [12, 11, 10]
>>> llogic.is_descending(alist)
True
The list can also have negative elements:
>>> alist = [2, 1, 0, -1, -2]
>>> llogic.is_descending(alist)
True
It will return False if the list is not ascending:
>>> alist = [6, 5, 9, 2]
>>> llogic.is_descending(alist)
False
By default, the function uses steps of size 1 so the list below is not
considered as ascending:
>>> alist = [7, 5, 3, 1]
>>> llogic.is_descending(alist)
False
But the user can set the step argument to any value less than one:
>>> alist = [7, 5, 3, 1]
>>> step = -2
>>> llogic.is_descending(alist, step)
True
"""
if not isinstance(input_list, list):
raise TypeError('\'input_list\' must be \'list\'')
if not isinstance(step, int):
raise TypeError('\'step\' must be \'int\'')
if step > 1:
raise ValueError('\'step\' must be < 0')
aux_list = list(range(max(input_list), min(input_list)-1, step))
return input_list == aux_list
| def is_descending(input_list: list, step: int=-1) -> bool:
"""llogic.is_descending(input_list[, step])
This function returns True if the input list is descending with a fixed
step, otherwise it returns False. Usage:
>>> alist = [3, 2, 1, 0]
>>> llogic.is_descending(alist)
True
The final value can be other than zero:
>>> alist = [12, 11, 10]
>>> llogic.is_descending(alist)
True
The list can also have negative elements:
>>> alist = [2, 1, 0, -1, -2]
>>> llogic.is_descending(alist)
True
It will return False if the list is not ascending:
>>> alist = [6, 5, 9, 2]
>>> llogic.is_descending(alist)
False
By default, the function uses steps of size 1 so the list below is not
considered as ascending:
>>> alist = [7, 5, 3, 1]
>>> llogic.is_descending(alist)
False
But the user can set the step argument to any value less than one:
>>> alist = [7, 5, 3, 1]
>>> step = -2
>>> llogic.is_descending(alist, step)
True
"""
if not isinstance(input_list, list):
raise type_error("'input_list' must be 'list'")
if not isinstance(step, int):
raise type_error("'step' must be 'int'")
if step > 1:
raise value_error("'step' must be < 0")
aux_list = list(range(max(input_list), min(input_list) - 1, step))
return input_list == aux_list |
class FeatureRegistration:
def __init__(self, key, failoverVariant, variants=[]):
"""docstring for __init__"""
self.key = key
self.failoverVariant = failoverVariant
self.variants = [v.toJSON() for v in variants]
def toJSON(self):
"""docstring for toJSON"""
self.__dict__
class Variant:
def __init__(self, key, name):
"""docstring for __init__"""
self.key = key
self.name = name
def toJSON(self):
"""docstring for toJSON"""
self.__dict__
| class Featureregistration:
def __init__(self, key, failoverVariant, variants=[]):
"""docstring for __init__"""
self.key = key
self.failoverVariant = failoverVariant
self.variants = [v.toJSON() for v in variants]
def to_json(self):
"""docstring for toJSON"""
self.__dict__
class Variant:
def __init__(self, key, name):
"""docstring for __init__"""
self.key = key
self.name = name
def to_json(self):
"""docstring for toJSON"""
self.__dict__ |
_base_ = "./resnest50d_AugCosyAAEGray_BG05_visib10_mlBCE_DoubleMask_ycbvPbr100e_SO_01_02MasterChefCan.py"
OUTPUT_DIR = (
"output/gdrn/ycbvPbrSO/resnest50d_AugCosyAAEGray_BG05_visib10_mlBCE_DoubleMask_ycbvPbr100e_SO/09_10PottedMeatCan"
)
DATASETS = dict(TRAIN=("ycbv_010_potted_meat_can_train_pbr",))
| _base_ = './resnest50d_AugCosyAAEGray_BG05_visib10_mlBCE_DoubleMask_ycbvPbr100e_SO_01_02MasterChefCan.py'
output_dir = 'output/gdrn/ycbvPbrSO/resnest50d_AugCosyAAEGray_BG05_visib10_mlBCE_DoubleMask_ycbvPbr100e_SO/09_10PottedMeatCan'
datasets = dict(TRAIN=('ycbv_010_potted_meat_can_train_pbr',)) |
# https://leetcode.com/problems/palindrome-partitioning/
class Solution(object):
def partition(self, s):
"""
:type s: str
:rtype: List[List[str]]
"""
| class Solution(object):
def partition(self, s):
"""
:type s: str
:rtype: List[List[str]]
""" |
"""Information for the outgoing response
code - the HTTP response code (default is "200 Ok")
headers - a list of key/value pairs used for the WSGI start_response
"""
code = None
headers = []
def add_header(key, value):
"""Helper function to append (key, value) to the list of response headers"""
headers.append( (key, value) )
# Eventually add cookie support?
| """Information for the outgoing response
code - the HTTP response code (default is "200 Ok")
headers - a list of key/value pairs used for the WSGI start_response
"""
code = None
headers = []
def add_header(key, value):
"""Helper function to append (key, value) to the list of response headers"""
headers.append((key, value)) |
# -*- coding: utf-8 -*-
# __author__= "Ruda"
# Date: 2018/10/16
'''
import os
from rongcloud import RongCloud
app_key = os.environ['APP_KEY']
app_secret = os.environ['APP_SECRET']
rcloud = RongCloud(app_key, app_secret)
r = rcloud.User.getToken(userId='userid1', name='username', portraitUri='http://www.rongcloud.cn/images/logo.png')
print(r)
{'token': 'P9YNVZ2cMQwwaADiNDVrtRZKF+J2pVPOWSNlYMA1yA1g49pxjZs58n4FEufsH9XMCHTk6nHR6unQTuRgD8ZS/nlbkcv6ll4x', 'userId': 'userid1', 'code': 200}
r = rcloud.Message.publishPrivate(
fromUserId='userId1',
toUserId={"userId2","userid3","userId4"},
objectName='RC:VcMsg',
content='{"content":"hello","extra":"helloExtra","duration":20}',
pushContent='thisisapush',
pushData='{"pushData":"hello"}',
count='4',
verifyBlacklist='0',
isPersisted='0',
isCounted='0')
print(r)
{'code': 200}
'''
'''
More:
https://github.com/rongcloud/server-sdk-python
''' | """
import os
from rongcloud import RongCloud
app_key = os.environ['APP_KEY']
app_secret = os.environ['APP_SECRET']
rcloud = RongCloud(app_key, app_secret)
r = rcloud.User.getToken(userId='userid1', name='username', portraitUri='http://www.rongcloud.cn/images/logo.png')
print(r)
{'token': 'P9YNVZ2cMQwwaADiNDVrtRZKF+J2pVPOWSNlYMA1yA1g49pxjZs58n4FEufsH9XMCHTk6nHR6unQTuRgD8ZS/nlbkcv6ll4x', 'userId': 'userid1', 'code': 200}
r = rcloud.Message.publishPrivate(
fromUserId='userId1',
toUserId={"userId2","userid3","userId4"},
objectName='RC:VcMsg',
content='{"content":"hello","extra":"helloExtra","duration":20}',
pushContent='thisisapush',
pushData='{"pushData":"hello"}',
count='4',
verifyBlacklist='0',
isPersisted='0',
isCounted='0')
print(r)
{'code': 200}
"""
'\nMore:\n\nhttps://github.com/rongcloud/server-sdk-python\n\n' |
'''
If the child is currently on the nth step,
then there are three possibilites as to how
it reached there:
1. Reached (n-3)th step and hopped 3 steps in one time
2. Reached (n-2)th step and hopped 2 steps in one time
3. Reached (n-1)th step and hopped 2 steps in one time
The total number of possibilities is the sum of these 3
'''
def count_possibilities(n, store):
if store[n]!=0:
return
count_possibilities(n-1, store)
count_possibilities(n-2, store)
count_possibilities(n-3, store)
store[n]=store[n-1]+store[n-2]+store[n-3]
n=int(input())
store=[0 for i in range(n+1)] # Stores the number of possibilites for every i<n
store[0]=0
store[1]=1
store[2]=2
store[3]=4
count_possibilities(n, store)
print(store[n])
| """
If the child is currently on the nth step,
then there are three possibilites as to how
it reached there:
1. Reached (n-3)th step and hopped 3 steps in one time
2. Reached (n-2)th step and hopped 2 steps in one time
3. Reached (n-1)th step and hopped 2 steps in one time
The total number of possibilities is the sum of these 3
"""
def count_possibilities(n, store):
if store[n] != 0:
return
count_possibilities(n - 1, store)
count_possibilities(n - 2, store)
count_possibilities(n - 3, store)
store[n] = store[n - 1] + store[n - 2] + store[n - 3]
n = int(input())
store = [0 for i in range(n + 1)]
store[0] = 0
store[1] = 1
store[2] = 2
store[3] = 4
count_possibilities(n, store)
print(store[n]) |
class Solution:
def runningSum(self, nums: List[int]) -> List[int]:
for index in range(1, len(nums)):
nums[index] = nums[index - 1] + nums[index]
return nums
| class Solution:
def running_sum(self, nums: List[int]) -> List[int]:
for index in range(1, len(nums)):
nums[index] = nums[index - 1] + nums[index]
return nums |
class PrefabError(Exception):
pass
class HashAlgorithmNotFound(PrefabError):
pass
class ImageAccessError(PrefabError):
pass
class ImageBuildError(PrefabError):
pass
class ImageNotFoundError(PrefabError):
pass
class ImagePushError(PrefabError):
pass
class ImageValidationError(PrefabError):
pass
class InvalidConfigError(PrefabError):
pass
class TargetCyclicError(PrefabError):
pass
class TargetNotFoundError(PrefabError):
pass
| class Prefaberror(Exception):
pass
class Hashalgorithmnotfound(PrefabError):
pass
class Imageaccesserror(PrefabError):
pass
class Imagebuilderror(PrefabError):
pass
class Imagenotfounderror(PrefabError):
pass
class Imagepusherror(PrefabError):
pass
class Imagevalidationerror(PrefabError):
pass
class Invalidconfigerror(PrefabError):
pass
class Targetcyclicerror(PrefabError):
pass
class Targetnotfounderror(PrefabError):
pass |
class Opt:
def __init__(self):
self.dataset = "fashion200k"
self.dataset_path = "./dataset/Fashion200k"
self.batch_size = 32
self.embed_dim = 512
self.hashing = False
self.retrieve_by_random = True | class Opt:
def __init__(self):
self.dataset = 'fashion200k'
self.dataset_path = './dataset/Fashion200k'
self.batch_size = 32
self.embed_dim = 512
self.hashing = False
self.retrieve_by_random = True |
# Two children, Lily and Ron, want to share a chocolate bar. Each of the squares has an integer on it.
# Lily decides to share a contiguous segment of the bar selected such that:
# The length of the segment matches Ron's birth month, and,
# The sum of the integers on the squares is equal to his birth day.
# Determine how many ways she can divide the chocolate.
# int s[n]: the numbers on each of the squares of chocolate
# int d: Ron's birth day
# int m: Ron's birth month
# Two children
def birthday(s, d, m):
# Write your code here
numberDiveded = 0
numberIteration = len(s)-(m-1)
if(numberIteration == 0):
numberIteration = 1
for k in range(0, numberIteration):
newArray = s[k:k+m]
sumArray = sum(newArray)
if sumArray == d:
numberDiveded += 1
return numberDiveded
s = '2 5 1 3 4 4 3 5 1 1 2 1 4 1 3 3 4 2 1'
caracteres = '18 7'
array = list(map(int, s.split()))
caracteresList = list(map(int, caracteres.split()))
print(birthday(array, caracteresList[0], caracteresList[1]))
| def birthday(s, d, m):
number_diveded = 0
number_iteration = len(s) - (m - 1)
if numberIteration == 0:
number_iteration = 1
for k in range(0, numberIteration):
new_array = s[k:k + m]
sum_array = sum(newArray)
if sumArray == d:
number_diveded += 1
return numberDiveded
s = '2 5 1 3 4 4 3 5 1 1 2 1 4 1 3 3 4 2 1'
caracteres = '18 7'
array = list(map(int, s.split()))
caracteres_list = list(map(int, caracteres.split()))
print(birthday(array, caracteresList[0], caracteresList[1])) |
N = int(input())
entry = [input().split() for _ in range(N)]
phoneBook = {name: number for name, number in entry}
while True:
try:
name = input()
if name in phoneBook:
print(f"{name}={phoneBook[name]}")
else:
print("Not found")
except:
break
| n = int(input())
entry = [input().split() for _ in range(N)]
phone_book = {name: number for (name, number) in entry}
while True:
try:
name = input()
if name in phoneBook:
print(f'{name}={phoneBook[name]}')
else:
print('Not found')
except:
break |
pet = {
"name":"Doggo",
"animal":"dog",
"species":"labrador",
"age":"5"
}
class Pet(object):
def __init__(self, name, age, animal):
self.name = name
self.age = age
self.animal = animal
self.hungry = False
self.mood= "happy"
def eat(self):
print("> %s is eating..." % self.name)
if self.is_hungry:
self.is_hungry = False
else:
print("> %s may have eaten too much." % self.name)
self.mood = "lethargic "
my_pet= Pet("Fido", 3, "dog")
my_pet.is_hungry= True
print("is my pet hungry? %s"% my_pet.is_hungry)
my_pet.eat()
print("how about now? %s" % my_pet.is_hungry)
print ("My pet is feeling %s" % my_pet.mood)
| pet = {'name': 'Doggo', 'animal': 'dog', 'species': 'labrador', 'age': '5'}
class Pet(object):
def __init__(self, name, age, animal):
self.name = name
self.age = age
self.animal = animal
self.hungry = False
self.mood = 'happy'
def eat(self):
print('> %s is eating...' % self.name)
if self.is_hungry:
self.is_hungry = False
else:
print('> %s may have eaten too much.' % self.name)
self.mood = 'lethargic '
my_pet = pet('Fido', 3, 'dog')
my_pet.is_hungry = True
print('is my pet hungry? %s' % my_pet.is_hungry)
my_pet.eat()
print('how about now? %s' % my_pet.is_hungry)
print('My pet is feeling %s' % my_pet.mood) |
# Definition for binary tree with next pointer.
class TreeLinkNode:
def __init__(self, x):
self.val = x
self.left = None
self.right = None
self.next = None
class Solution:
# @param root, a tree link node
# @return nothing
def connect(self, root):
node = root
current = None
candidate = None
next_start = None
if node is None:
return
while node is not None:
# loop through nodes in this level, assigning nexts
# assumption: previous level (node's level)
# has all nexts assigned correctly
# assign left's next to right if applicable
if node.left is not None:
# tells loop where to start for next level
if next_start is None:
next_start = node.left
if node.right is not None:
node.left.next = node.right
current = node.right
else:
current = node.left
else:
if node.right is not None:
if next_start is None:
next_start = node.right
current = node.right
else:
node = node.next
continue
while candidate is None:
node = node.next
if node is None:
break
if node.left is None:
if node.right is None:
continue
else:
candidate = node.right
else:
candidate = node.left
current.next = candidate
candidate = None
# end of inner loop, through nodes in a level
if node is None:
node = next_start
next_start = None
| class Treelinknode:
def __init__(self, x):
self.val = x
self.left = None
self.right = None
self.next = None
class Solution:
def connect(self, root):
node = root
current = None
candidate = None
next_start = None
if node is None:
return
while node is not None:
if node.left is not None:
if next_start is None:
next_start = node.left
if node.right is not None:
node.left.next = node.right
current = node.right
else:
current = node.left
elif node.right is not None:
if next_start is None:
next_start = node.right
current = node.right
else:
node = node.next
continue
while candidate is None:
node = node.next
if node is None:
break
if node.left is None:
if node.right is None:
continue
else:
candidate = node.right
else:
candidate = node.left
current.next = candidate
candidate = None
if node is None:
node = next_start
next_start = None |
# AUTOGENERATED BY NBDEV! DO NOT EDIT!
__all__ = ["index", "modules", "custom_doc_links", "git_url"]
index = {"get_device": "00_basics.ipynb",
"settings_template": "00_basics.ipynb",
"read_settings": "00_basics.ipynb",
"DEVICE": "00_basics.ipynb",
"settings": "00_basics.ipynb",
"DATA_STORE": "00_basics.ipynb",
"LOG_STORE": "00_basics.ipynb",
"MODEL_STORE": "00_basics.ipynb",
"EXPERIMENT_STORE": "00_basics.ipynb",
"PATH_1K": "00_basics.ipynb",
"PATH_10K": "00_basics.ipynb",
"PATH_20K": "00_basics.ipynb",
"PATH_100K": "00_basics.ipynb",
"FILENAMES": "00_basics.ipynb",
"SYNTHEA_DATAGEN_DATES": "00_basics.ipynb",
"CONDITIONS": "00_basics.ipynb",
"LOG_NUMERICALIZE_EXCEP": "00_basics.ipynb",
"read_raw_ehrdata": "01_preprocessing_clean.ipynb",
"split_patients": "01_preprocessing_clean.ipynb",
"split_ehr_dataset": "01_preprocessing_clean.ipynb",
"cleanup_pts": "01_preprocessing_clean.ipynb",
"cleanup_obs": "01_preprocessing_clean.ipynb",
"cleanup_algs": "01_preprocessing_clean.ipynb",
"cleanup_crpls": "01_preprocessing_clean.ipynb",
"cleanup_meds": "01_preprocessing_clean.ipynb",
"cleanup_img": "01_preprocessing_clean.ipynb",
"cleanup_procs": "01_preprocessing_clean.ipynb",
"cleanup_cnds": "01_preprocessing_clean.ipynb",
"cleanup_immns": "01_preprocessing_clean.ipynb",
"cleanup_dataset": "01_preprocessing_clean.ipynb",
"extract_ys": "01_preprocessing_clean.ipynb",
"insert_age": "01_preprocessing_clean.ipynb",
"clean_raw_ehrdata": "01_preprocessing_clean.ipynb",
"load_cleaned_ehrdata": "01_preprocessing_clean.ipynb",
"load_ehr_vocabcodes": "01_preprocessing_clean.ipynb",
"EhrVocab": "02_preprocessing_vocab.ipynb",
"ObsVocab": "02_preprocessing_vocab.ipynb",
"EhrVocabList": "02_preprocessing_vocab.ipynb",
"get_all_emb_dims": "02_preprocessing_vocab.ipynb",
"collate_codes_offsts": "03_preprocessing_transform.ipynb",
"get_codenums_offsts": "03_preprocessing_transform.ipynb",
"get_demographics": "03_preprocessing_transform.ipynb",
"Patient": "03_preprocessing_transform.ipynb",
"get_pckl_dir": "03_preprocessing_transform.ipynb",
"PatientList": "03_preprocessing_transform.ipynb",
"cpu_cnt": "03_preprocessing_transform.ipynb",
"create_all_ptlists": "03_preprocessing_transform.ipynb",
"preprocess_ehr_dataset": "03_preprocessing_transform.ipynb",
"EHRDataSplits": "04_data.ipynb",
"LabelEHRData": "04_data.ipynb",
"EHRDataset": "04_data.ipynb",
"EHRData": "04_data.ipynb",
"accuracy": "05_metrics.ipynb",
"null_accuracy": "05_metrics.ipynb",
"ROC": "05_metrics.ipynb",
"MultiLabelROC": "05_metrics.ipynb",
"plot_rocs": "05_metrics.ipynb",
"plot_train_valid_rocs": "05_metrics.ipynb",
"auroc_score": "05_metrics.ipynb",
"auroc_ci": "05_metrics.ipynb",
"save_to_checkpoint": "06_learn.ipynb",
"load_from_checkpoint": "06_learn.ipynb",
"get_loss_fn": "06_learn.ipynb",
"RunHistory": "06_learn.ipynb",
"train": "06_learn.ipynb",
"evaluate": "06_learn.ipynb",
"fit": "06_learn.ipynb",
"predict": "06_learn.ipynb",
"plot_loss": "06_learn.ipynb",
"plot_losses": "06_learn.ipynb",
"plot_aurocs": "06_learn.ipynb",
"plot_train_valid_aurocs": "06_learn.ipynb",
"plot_fit_results": "06_learn.ipynb",
"summarize_prediction": "06_learn.ipynb",
"count_parameters": "06_learn.ipynb",
"dropout_mask": "07_models.ipynb",
"InputDropout": "07_models.ipynb",
"linear_layer": "07_models.ipynb",
"create_linear_layers": "07_models.ipynb",
"init_lstm": "07_models.ipynb",
"EHR_LSTM": "07_models.ipynb",
"init_cnn": "07_models.ipynb",
"conv_layer": "07_models.ipynb",
"EHR_CNN": "07_models.ipynb",
"get_data": "08_experiment.ipynb",
"get_optimizer": "08_experiment.ipynb",
"get_model": "08_experiment.ipynb",
"Experiment": "08_experiment.ipynb"}
modules = ["basics.py",
"preprocessing/clean.py",
"preprocessing/vocab.py",
"preprocessing/transform.py",
"data.py",
"metrics.py",
"learn.py",
"models.py",
"experiment.py"]
doc_url = "https://corazonlabs.github.io/lemonpie/"
git_url = "https://github.com/corazonlabs/lemonpie/tree/main/"
def custom_doc_links(name): return None
| __all__ = ['index', 'modules', 'custom_doc_links', 'git_url']
index = {'get_device': '00_basics.ipynb', 'settings_template': '00_basics.ipynb', 'read_settings': '00_basics.ipynb', 'DEVICE': '00_basics.ipynb', 'settings': '00_basics.ipynb', 'DATA_STORE': '00_basics.ipynb', 'LOG_STORE': '00_basics.ipynb', 'MODEL_STORE': '00_basics.ipynb', 'EXPERIMENT_STORE': '00_basics.ipynb', 'PATH_1K': '00_basics.ipynb', 'PATH_10K': '00_basics.ipynb', 'PATH_20K': '00_basics.ipynb', 'PATH_100K': '00_basics.ipynb', 'FILENAMES': '00_basics.ipynb', 'SYNTHEA_DATAGEN_DATES': '00_basics.ipynb', 'CONDITIONS': '00_basics.ipynb', 'LOG_NUMERICALIZE_EXCEP': '00_basics.ipynb', 'read_raw_ehrdata': '01_preprocessing_clean.ipynb', 'split_patients': '01_preprocessing_clean.ipynb', 'split_ehr_dataset': '01_preprocessing_clean.ipynb', 'cleanup_pts': '01_preprocessing_clean.ipynb', 'cleanup_obs': '01_preprocessing_clean.ipynb', 'cleanup_algs': '01_preprocessing_clean.ipynb', 'cleanup_crpls': '01_preprocessing_clean.ipynb', 'cleanup_meds': '01_preprocessing_clean.ipynb', 'cleanup_img': '01_preprocessing_clean.ipynb', 'cleanup_procs': '01_preprocessing_clean.ipynb', 'cleanup_cnds': '01_preprocessing_clean.ipynb', 'cleanup_immns': '01_preprocessing_clean.ipynb', 'cleanup_dataset': '01_preprocessing_clean.ipynb', 'extract_ys': '01_preprocessing_clean.ipynb', 'insert_age': '01_preprocessing_clean.ipynb', 'clean_raw_ehrdata': '01_preprocessing_clean.ipynb', 'load_cleaned_ehrdata': '01_preprocessing_clean.ipynb', 'load_ehr_vocabcodes': '01_preprocessing_clean.ipynb', 'EhrVocab': '02_preprocessing_vocab.ipynb', 'ObsVocab': '02_preprocessing_vocab.ipynb', 'EhrVocabList': '02_preprocessing_vocab.ipynb', 'get_all_emb_dims': '02_preprocessing_vocab.ipynb', 'collate_codes_offsts': '03_preprocessing_transform.ipynb', 'get_codenums_offsts': '03_preprocessing_transform.ipynb', 'get_demographics': '03_preprocessing_transform.ipynb', 'Patient': '03_preprocessing_transform.ipynb', 'get_pckl_dir': '03_preprocessing_transform.ipynb', 'PatientList': '03_preprocessing_transform.ipynb', 'cpu_cnt': '03_preprocessing_transform.ipynb', 'create_all_ptlists': '03_preprocessing_transform.ipynb', 'preprocess_ehr_dataset': '03_preprocessing_transform.ipynb', 'EHRDataSplits': '04_data.ipynb', 'LabelEHRData': '04_data.ipynb', 'EHRDataset': '04_data.ipynb', 'EHRData': '04_data.ipynb', 'accuracy': '05_metrics.ipynb', 'null_accuracy': '05_metrics.ipynb', 'ROC': '05_metrics.ipynb', 'MultiLabelROC': '05_metrics.ipynb', 'plot_rocs': '05_metrics.ipynb', 'plot_train_valid_rocs': '05_metrics.ipynb', 'auroc_score': '05_metrics.ipynb', 'auroc_ci': '05_metrics.ipynb', 'save_to_checkpoint': '06_learn.ipynb', 'load_from_checkpoint': '06_learn.ipynb', 'get_loss_fn': '06_learn.ipynb', 'RunHistory': '06_learn.ipynb', 'train': '06_learn.ipynb', 'evaluate': '06_learn.ipynb', 'fit': '06_learn.ipynb', 'predict': '06_learn.ipynb', 'plot_loss': '06_learn.ipynb', 'plot_losses': '06_learn.ipynb', 'plot_aurocs': '06_learn.ipynb', 'plot_train_valid_aurocs': '06_learn.ipynb', 'plot_fit_results': '06_learn.ipynb', 'summarize_prediction': '06_learn.ipynb', 'count_parameters': '06_learn.ipynb', 'dropout_mask': '07_models.ipynb', 'InputDropout': '07_models.ipynb', 'linear_layer': '07_models.ipynb', 'create_linear_layers': '07_models.ipynb', 'init_lstm': '07_models.ipynb', 'EHR_LSTM': '07_models.ipynb', 'init_cnn': '07_models.ipynb', 'conv_layer': '07_models.ipynb', 'EHR_CNN': '07_models.ipynb', 'get_data': '08_experiment.ipynb', 'get_optimizer': '08_experiment.ipynb', 'get_model': '08_experiment.ipynb', 'Experiment': '08_experiment.ipynb'}
modules = ['basics.py', 'preprocessing/clean.py', 'preprocessing/vocab.py', 'preprocessing/transform.py', 'data.py', 'metrics.py', 'learn.py', 'models.py', 'experiment.py']
doc_url = 'https://corazonlabs.github.io/lemonpie/'
git_url = 'https://github.com/corazonlabs/lemonpie/tree/main/'
def custom_doc_links(name):
return None |
class Solution:
def canArrange(self, arr: List[int], k: int) -> bool:
"""Hash table.
Running time: O(n) where n == len(arr).
"""
d = collections.defaultdict(int)
for a in arr:
d[a % k] += 1
for key, v in d.items():
if key == 0 and v % 2 == 1:
return False
elif key != 0 and v != d[k - key]:
return False
return True
| class Solution:
def can_arrange(self, arr: List[int], k: int) -> bool:
"""Hash table.
Running time: O(n) where n == len(arr).
"""
d = collections.defaultdict(int)
for a in arr:
d[a % k] += 1
for (key, v) in d.items():
if key == 0 and v % 2 == 1:
return False
elif key != 0 and v != d[k - key]:
return False
return True |
# Define a procedure, fibonacci, that takes a natural number as its input, and
# returns the value of that fibonacci number.
# Two Base Cases:
# fibonacci(0) => 0
# fibonacci(1) => 1
# Recursive Case:
# n > 1 : fibonacci(n) => fibonacci(n-1) + fibonacci(n-2)
def fibonacci(n):
return n if n == 0 or n == 1 else fibonacci(n-1) + fibonacci(n-2)
print (fibonacci(0))
#>>> 0
print (fibonacci(1))
#>>> 1
print (fibonacci(15))
#>>> 610 | def fibonacci(n):
return n if n == 0 or n == 1 else fibonacci(n - 1) + fibonacci(n - 2)
print(fibonacci(0))
print(fibonacci(1))
print(fibonacci(15)) |
#!/usr/bin/python
# -*- coding: UTF-8 -*-
"""
@file : __init__.py.py
@Time : 2020/11/12 13:37
@Author: Tao.Xu
@Email : tao.xu2008@outlook.com
"""
"""
phoronix-test-suite: Main for Performance Test
===================
https://github.com/phoronix-test-suite/phoronix-test-suite
The Phoronix Test Suite is the most comprehensive testing and
benchmarking platform available for Linux, Solaris, macOS, Windows,
and BSD operating systems.
"""
if __name__ == '__main__':
pass
| """
@file : __init__.py.py
@Time : 2020/11/12 13:37
@Author: Tao.Xu
@Email : tao.xu2008@outlook.com
"""
'\nphoronix-test-suite: Main for Performance Test\n===================\nhttps://github.com/phoronix-test-suite/phoronix-test-suite\nThe Phoronix Test Suite is the most comprehensive testing and \nbenchmarking platform available for Linux, Solaris, macOS, Windows, \nand BSD operating systems. \n'
if __name__ == '__main__':
pass |
errorFound = False
def hasError():
global errorFound
return errorFound
def clearError():
global errorFound
errorFound = False
def error(message, lineNo = 0):
report(lineNo, "", message)
def report(lineNo, where, message):
global errorFound
errorFound = True
if lineNo == 0:
print("Error {1}: {2}".format(lineNo, where, message))
else:
print("[Line {0}] Error {1}: {2}".format(lineNo, where, message)) | error_found = False
def has_error():
global errorFound
return errorFound
def clear_error():
global errorFound
error_found = False
def error(message, lineNo=0):
report(lineNo, '', message)
def report(lineNo, where, message):
global errorFound
error_found = True
if lineNo == 0:
print('Error {1}: {2}'.format(lineNo, where, message))
else:
print('[Line {0}] Error {1}: {2}'.format(lineNo, where, message)) |
class AnythingType(set):
def __contains__(self, other):
return True
def intersection(self, other):
return other
def union(self, other):
return self
def __str__(self):
return '*'
def __repr__(self):
return "Anything"
Anything = AnythingType()
| class Anythingtype(set):
def __contains__(self, other):
return True
def intersection(self, other):
return other
def union(self, other):
return self
def __str__(self):
return '*'
def __repr__(self):
return 'Anything'
anything = anything_type() |
allct_dat = {
"TYR": { "HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
"INTX,KFORM":['INT', '1'],
"HD2":{'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 19, 'NA': 21, 'I': 22, 'angle': 120.0, 'blen': 1.09, 'charge': 0.064, 'type': 'HC'},
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"OH":{'torsion': 180.0, 'tree': 'S', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.0, 'blen': 1.36, 'charge': -0.528, 'type': 'OH'},
"HD1":{'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.09, 'charge': 0.064, 'type': 'HC'},
"HE1":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09, 'charge': 0.102, 'type': 'HC'},
"HE2":{'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 19, 'I': 20, 'angle': 120.0, 'blen': 1.09, 'charge': 0.102, 'type': 'HC'},
"CD2":{'torsion': 0.0, 'tree': 'S', 'NC': 14, 'NB': 16, 'NA': 19, 'I': 21, 'angle': 120.0, 'blen': 1.4, 'charge': -0.002, 'type': 'CA'},
"NAMRES":'TYROSINE COO- ANION',
"CD1":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.4, 'charge': -0.002, 'type': 'CA'},
"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'CD1', 'HD1', 'CE1', 'HE1', 'CZ', 'OH', 'HH', 'CE2', 'HE2', 'CD2', 'HD2', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"CE1":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 120.0, 'blen': 1.4, 'charge': -0.264, 'type': 'CA'},
"CE2":{'torsion': 0.0, 'tree': 'B', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 19, 'angle': 120.0, 'blen': 1.4, 'charge': -0.264, 'type': 'CA'},
"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
"HH":{'torsion': 0.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 113.0, 'blen': 0.96, 'charge': 0.334, 'type': 'HO'},
"CZ":{'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 120.0, 'blen': 1.4, 'charge': 0.462, 'type': 'C'},
"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 23, 'I': 24, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.51, 'charge': -0.03, 'type': 'CA'},
"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 23, 'I': 25, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"loopList":[['CG', 'CD2']],
"CUT":['0.00000'],
"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 23, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
},
"ASN": { "HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'OD1', 'ND2', 'HD21', 'HD22', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"ND2":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 116.6, 'blen': 1.335, 'charge': -0.867, 'type': 'N'},
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.086, 'type': 'CT'},
"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CB', 'ND2', 'CG', 'OD1'], ['CG', 'HD21', 'ND2', 'HD22']],
"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
"INTX,KFORM":['INT', '1'],
"CG":{'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 111.1, 'blen': 1.522, 'charge': 0.675, 'type': 'C'},
"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"HD21":{'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 119.8, 'blen': 1.01, 'charge': 0.344, 'type': 'H'},
"OD1":{'torsion': 0.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 120.5, 'blen': 1.229, 'charge': -0.47, 'type': 'O'},
"HD22":{'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 15, 'angle': 119.8, 'blen': 1.01, 'charge': 0.344, 'type': 'H'},
"CUT":['0.00000'],
"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 16, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 18, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"NAMRES":'ASPARAGINE COO- ANION',
},
"CYS": { "HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'SG', 'HSG', 'LP1', 'LP2', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"SG":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 116.0, 'blen': 1.81, 'charge': 0.827, 'type': 'SH'},
"LP1":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 96.7, 'blen': 0.679, 'charge': -0.481, 'type': 'LP'},
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 15, 'I': 16, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.06, 'type': 'CT'},
"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
"INTX,KFORM":['INT', '1'],
"LP2":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 96.7, 'blen': 0.679, 'charge': -0.481, 'type': 'LP'},
"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"HSG":{'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 96.0, 'blen': 1.33, 'charge': 0.135, 'type': 'HS'},
"CUT":['0.00000'],
"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 15, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 15, 'I': 17, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"NAMRES":'CYSTEINE COO- ANION',
},
"ARG": { "HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.056, 'type': 'HC'},
"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.056, 'type': 'HC'},
"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['NE', 'NH1', 'CZ', 'NH2'], ['CD', 'CZ', 'NE', 'HE'], ['CZ', 'HH12', 'NH1', 'HH11'], ['CZ', 'HH22', 'NH2', 'HH21']],
"HH11":{'torsion': 0.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 20, 'I': 21, 'angle': 119.8, 'blen': 1.01, 'charge': 0.361, 'type': 'H3'},
"HH12":{'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 20, 'I': 22, 'angle': 119.8, 'blen': 1.01, 'charge': 0.361, 'type': 'H3'},
"HH21":{'torsion': 0.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 23, 'I': 24, 'angle': 119.8, 'blen': 1.01, 'charge': 0.361, 'type': 'H3'},
"HH22":{'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 23, 'I': 25, 'angle': 119.8, 'blen': 1.01, 'charge': 0.361, 'type': 'H3'},
"INTX,KFORM":['INT', '1'],
"NE":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 17, 'angle': 111.0, 'blen': 1.48, 'charge': -0.324, 'type': 'N2'},
"HG2":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.074, 'type': 'HC'},
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"HD2":{'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.133, 'type': 'HC'},
"HD3":{'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09, 'charge': 0.133, 'type': 'HC'},
"NAMRES":'ARGININE COO- ANION',
"HE":{'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 118.5, 'blen': 1.01, 'charge': 0.269, 'type': 'H3'},
"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'HD2', 'HD3', 'NE', 'HE', 'CZ', 'NH1', 'HH11', 'HH12', 'NH2', 'HH21', 'HH22', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"NH2":{'torsion': 180.0, 'tree': 'B', 'NC': 14, 'NB': 17, 'NA': 19, 'I': 23, 'angle': 118.0, 'blen': 1.33, 'charge': -0.624, 'type': 'N2'},
"HG3":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.074, 'type': 'HC'},
"NH1":{'torsion': 0.0, 'tree': 'B', 'NC': 14, 'NB': 17, 'NA': 19, 'I': 20, 'angle': 122.0, 'blen': 1.33, 'charge': -0.624, 'type': 'N2'},
"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
"CZ":{'torsion': 180.0, 'tree': 'B', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 123.0, 'blen': 1.33, 'charge': 0.76, 'type': 'CA'},
"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
"CD":{'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.525, 'charge': -0.228, 'type': 'CT'},
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 27, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CG":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': -0.103, 'type': 'CT'},
"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.08, 'type': 'CT'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 28, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CUT":['0.00000'],
"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 26, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
},
"LEU": { "HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.033, 'type': 'HC'},
"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.033, 'type': 'HC'},
"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
"INTX,KFORM":['INT', '1'],
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"NAMRES":'LEUCINE COO- ANION',
"HG":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.031, 'type': 'HC'},
"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG', 'CD1', 'HD11', 'HD12', 'HD13', 'CD2', 'HD21', 'HD22', 'HD23', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"HD11":{'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 109.5, 'blen': 1.09, 'charge': 0.034, 'type': 'HC'},
"HD12":{'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.034, 'type': 'HC'},
"HD13":{'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 16, 'angle': 109.5, 'blen': 1.09, 'charge': 0.034, 'type': 'HC'},
"CD2":{'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 17, 'angle': 109.47, 'blen': 1.525, 'charge': -0.107, 'type': 'CT'},
"CD1":{'torsion': 60.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.47, 'blen': 1.525, 'charge': -0.107, 'type': 'CT'},
"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 22, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CG":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': -0.01, 'type': 'CT'},
"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.061, 'type': 'CT'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 23, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"HD21":{'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09, 'charge': 0.034, 'type': 'HC'},
"HD23":{'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 17, 'I': 20, 'angle': 109.5, 'blen': 1.09, 'charge': 0.034, 'type': 'HC'},
"HD22":{'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09, 'charge': 0.034, 'type': 'HC'},
"CUT":['0.00000'],
"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 21, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
},
"HID": { "HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
"NE2":{'torsion': 0.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 109.0, 'blen': 1.31, 'charge': -0.502, 'type': 'NB'},
"ND1":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 122.0, 'blen': 1.39, 'charge': -0.146, 'type': 'NA'},
"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'CE1', 'ND1', 'HD1']],
"CE1":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 108.0, 'blen': 1.32, 'charge': 0.241, 'type': 'CR'},
"INTX,KFORM":['INT', '1'],
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"HD1":{'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 126.0, 'blen': 1.01, 'charge': 0.228, 'type': 'H'},
"NAMRES":'HISTIDINE DELTAH COO- ANION',
"HE":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09, 'charge': 0.036, 'type': 'HC'},
"HD":{'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 120.0, 'blen': 1.09, 'charge': 0.018, 'type': 'HC'},
"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'ND1', 'HD1', 'CE1', 'HE', 'NE2', 'CD2', 'HD', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"CD2":{'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 110.0, 'blen': 1.36, 'charge': 0.195, 'type': 'CV'},
"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51, 'charge': -0.032, 'type': 'CC'},
"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 21, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"loopList":[['CG', 'CD2']],
"CUT":['0.00000'],
"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
},
"HIE": { "HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
"NE2":{'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 15, 'angle': 109.0, 'blen': 1.31, 'charge': -0.146, 'type': 'NA'},
"ND1":{'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 122.0, 'blen': 1.39, 'charge': -0.502, 'type': 'NB'},
"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CE1', 'CD2', 'NE2', 'HE2']],
"CE1":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 108.0, 'blen': 1.32, 'charge': 0.241, 'type': 'CR'},
"INTX,KFORM":['INT', '1'],
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"HE2":{'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 13, 'NA': 15, 'I': 16, 'angle': 125.0, 'blen': 1.01, 'charge': 0.228, 'type': 'H'},
"NAMRES":'HISTIDINE EPSILON-H COO- ANION',
"HE":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 14, 'angle': 120.0, 'blen': 1.09, 'charge': 0.036, 'type': 'HC'},
"HD":{'torsion': 180.0, 'tree': 'E', 'NC': 13, 'NB': 15, 'NA': 17, 'I': 18, 'angle': 120.0, 'blen': 1.09, 'charge': 0.114, 'type': 'HC'},
"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'ND1', 'CE1', 'HE', 'NE2', 'HE2', 'CD2', 'HD', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"CD2":{'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 13, 'NA': 15, 'I': 17, 'angle': 110.0, 'blen': 1.36, 'charge': -0.184, 'type': 'CW'},
"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51, 'charge': 0.251, 'type': 'CC'},
"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 21, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"loopList":[['CG', 'CD2']],
"CUT":['0.00000'],
"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
},
"MET": { "HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.027, 'type': 'HC'},
"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.027, 'type': 'HC'},
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 22, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
"SD":{'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 110.0, 'blen': 1.81, 'charge': 0.737, 'type': 'S'},
"LP1":{'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 96.7, 'blen': 0.679, 'charge': -0.381, 'type': 'LP'},
"HG3":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0652, 'type': 'HC'},
"HG2":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0652, 'type': 'HC'},
"INTX,KFORM":['INT', '1'],
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"HE3":{'torsion': 300.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 20, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0652, 'type': 'HC'},
"HE2":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0652, 'type': 'HC'},
"HE1":{'torsion': 60.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0652, 'type': 'HC'},
"NAMRES":'METHIONINE COO- ANION',
"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'SD', 'LP1', 'LP2', 'CE', 'HE1', 'HE2', 'HE3', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
"CE":{'torsion': 180.0, 'tree': '3', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 17, 'angle': 100.0, 'blen': 1.78, 'charge': -0.134, 'type': 'CT'},
"CG":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': -0.054, 'type': 'CT'},
"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.151, 'type': 'CT'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 23, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"LP2":{'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 96.7, 'blen': 0.679, 'charge': -0.381, 'type': 'LP'},
"CUT":['0.00000'],
"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 21, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
},
"IDBGEN,IREST,ITYPF":['1', '1', '201'],
"ALA": { "HB2":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
"HB3":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB1', 'HB2', 'HB3', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"HB1":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 12, 'I': 13, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'},
"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
"INTX,KFORM":['INT', '1'],
"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"CUT":['0.00000'],
"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 12, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 12, 'I': 14, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"NAMRES":'ALANINE COO- ANION',
},
"PHE": { "HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
"INTX,KFORM":['INT', '1'],
"HD2":{'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 18, 'NA': 20, 'I': 21, 'angle': 120.0, 'blen': 1.09, 'charge': 0.058, 'type': 'HC'},
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"HD1":{'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.09, 'charge': 0.058, 'type': 'HC'},
"HE1":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09, 'charge': 0.063, 'type': 'HC'},
"HE2":{'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 19, 'angle': 120.0, 'blen': 1.09, 'charge': 0.063, 'type': 'HC'},
"CD2":{'torsion': 0.0, 'tree': 'S', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 20, 'angle': 120.0, 'blen': 1.4, 'charge': -0.069, 'type': 'CA'},
"NAMRES":'PHENYLALANINE COO- ANION',
"CD1":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.4, 'charge': -0.069, 'type': 'CA'},
"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'CD1', 'HD1', 'CE1', 'HE1', 'CZ', 'HZ', 'CE2', 'HE2', 'CD2', 'HD2', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"CE1":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 120.0, 'blen': 1.4, 'charge': -0.059, 'type': 'CA'},
"CE2":{'torsion': 0.0, 'tree': 'B', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 120.0, 'blen': 1.4, 'charge': -0.059, 'type': 'CA'},
"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
"CZ":{'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 120.0, 'blen': 1.4, 'charge': -0.065, 'type': 'CA'},
"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 22, 'I': 23, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51, 'charge': 0.055, 'type': 'CA'},
"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 22, 'I': 24, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"loopList":[['CG', 'CD2']],
"CUT":['0.00000'],
"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 22, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
"HZ":{'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.0, 'blen': 1.09, 'charge': 0.062, 'type': 'HC'},
},
"CYX": { "HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0495, 'type': 'HC'},
"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0495, 'type': 'HC'},
"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'SG', 'LP1', 'LP2', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"SG":{'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 116.0, 'blen': 1.81, 'charge': 0.824, 'type': 'S'},
"LP1":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 96.7, 'blen': 0.679, 'charge': -0.4045, 'type': 'LP'},
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'},
"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
"INTX,KFORM":['INT', '1'],
"LP2":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 96.7, 'blen': 0.679, 'charge': -0.4045, 'type': 'LP'},
"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"CUT":['0.00000'],
"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 14, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 16, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"NAMRES":'CYSTINE(S-S BRIDGE) COO- ANION',
},
"PRO": { "HB2":{'torsion': 136.3, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.061, 'type': 'HC'},
"HB3":{'torsion': 256.3, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.061, 'type': 'HC'},
"impropTors":[['CA', 'OXT', 'C', 'O'], ['-M', 'CA', 'N', 'CD']],
"INTX,KFORM":['INT', '1'],
"HG3":{'torsion': 98.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.063, 'type': 'HC'},
"HG2":{'torsion': 218.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.063, 'type': 'HC'},
"CD":{'torsion': 356.1, 'tree': '3', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 126.1, 'blen': 1.458, 'charge': -0.012, 'type': 'CT'},
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"loopList":[['CA', 'CB']],
"HD2":{'torsion': 80.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 109.5, 'blen': 1.09, 'charge': 0.06, 'type': 'HC'},
"HD3":{'torsion': 320.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.06, 'type': 'HC'},
"NAMRES":'PROLINE COO- ANION',
"atNameList":['N', 'CD', 'HD2', 'HD3', 'CG', 'HG2', 'HG3', 'CB', 'HB2', 'HB3', 'CA', 'HA', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"HA":{'torsion': 81.1, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 117.0, 'blen': 1.337, 'charge': -0.229, 'type': 'N'},
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CG":{'torsion': 200.1, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 103.2, 'blen': 1.5, 'charge': -0.121, 'type': 'CT'},
"CA":{'torsion': 175.2, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 14, 'angle': 120.6, 'blen': 1.451, 'charge': 0.035, 'type': 'CT'},
"CB":{'torsion': 338.3, 'tree': 'B', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 11, 'angle': 106.0, 'blen': 1.51, 'charge': -0.115, 'type': 'CT'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CUT":['0.00000'],
"C":{'torsion': 0.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 14, 'I': 16, 'angle': 111.1, 'blen': 1.522, 'charge': 0.438, 'type': 'C'},
},
"LYS": { "HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
"HZ2":{'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 22, 'angle': 109.47, 'blen': 1.01, 'charge': 0.294, 'type': 'H3'},
"HZ3":{'torsion': 300.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 23, 'angle': 109.47, 'blen': 1.01, 'charge': 0.294, 'type': 'H3'},
"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
"HZ1":{'torsion': 60.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 21, 'angle': 109.47, 'blen': 1.01, 'charge': 0.294, 'type': 'H3'},
"NZ":{'torsion': 180.0, 'tree': '3', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 20, 'angle': 109.47, 'blen': 1.47, 'charge': -0.138, 'type': 'N3'},
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 24, 'I': 25, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"INTX,KFORM":['INT', '1'],
"HG3":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.116, 'type': 'HC'},
"HG2":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.116, 'type': 'HC'},
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"HE3":{'torsion': 60.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09, 'charge': 0.098, 'type': 'HC'},
"HE2":{'torsion': 300.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09, 'charge': 0.098, 'type': 'HC'},
"HD2":{'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.122, 'type': 'HC'},
"HD3":{'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09, 'charge': 0.122, 'type': 'HC'},
"NAMRES":'LYSINE COO- ANION',
"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'HD2', 'HD3', 'CE', 'HE2', 'HE3', 'NZ', 'HZ1', 'HZ2', 'HZ3', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
"CD":{'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.525, 'charge': -0.18, 'type': 'CT'},
"CE":{'torsion': 180.0, 'tree': '3', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 17, 'angle': 109.47, 'blen': 1.525, 'charge': -0.038, 'type': 'CT'},
"CG":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': -0.16, 'type': 'CT'},
"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 24, 'I': 26, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CUT":['0.00000'],
"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 24, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
},
"NAMDBF":'db4.dat',
"SER": { "HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.119, 'type': 'HC'},
"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.119, 'type': 'HC'},
"HG":{'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.47, 'blen': 0.96, 'charge': 0.31, 'type': 'HO'},
"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'OG', 'HG', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 13, 'I': 14, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': 0.018, 'type': 'CT'},
"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
"OG":{'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.43, 'charge': -0.55, 'type': 'OH'},
"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
"INTX,KFORM":['INT', '1'],
"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"CUT":['0.00000'],
"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 13, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 13, 'I': 15, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"NAMRES":'SERINE COO- ANION',
},
"ASP": { "HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.071, 'type': 'HC'},
"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.071, 'type': 'HC'},
"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'OD1', 'OD2', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.398, 'type': 'CT'},
"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CB', 'OD1', 'CG', 'OD2']],
"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
"INTX,KFORM":['INT', '1'],
"CG":{'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.527, 'charge': 0.714, 'type': 'C'},
"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"OD2":{'torsion': 270.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 117.2, 'blen': 1.26, 'charge': -0.721, 'type': 'O2'},
"OD1":{'torsion': 90.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 117.2, 'blen': 1.26, 'charge': -0.721, 'type': 'O2'},
"CUT":['0.00000'],
"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 14, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 16, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"NAMRES":'ASPARTIC ACID COO- ANION',
},
"GLN": { "HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
"NE2":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 116.6, 'blen': 1.335, 'charge': -0.867, 'type': 'N'},
"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'NE2', 'CD', 'OE1'], ['CD', 'HE21', 'NE2', 'HE22']],
"INTX,KFORM":['INT', '1'],
"HG3":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.057, 'type': 'HC'},
"HG2":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.057, 'type': 'HC'},
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
"NAMRES":'GLUTAMINE COO- ANION',
"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'OE1', 'NE2', 'HE21', 'HE22', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"HE21":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 119.8, 'blen': 1.01, 'charge': 0.344, 'type': 'H'},
"HE22":{'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 119.8, 'blen': 1.01, 'charge': 0.344, 'type': 'H'},
"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
"CD":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 111.1, 'blen': 1.522, 'charge': 0.675, 'type': 'C'},
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CG":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': -0.102, 'type': 'CT'},
"OE1":{'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229, 'charge': -0.47, 'type': 'O'},
"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 21, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CUT":['0.00000'],
"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
},
"GLU": { "HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.092, 'type': 'HC'},
"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.092, 'type': 'HC'},
"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'OE1', 'CD', 'OE2']],
"INTX,KFORM":['INT', '1'],
"HG3":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.071, 'type': 'HC'},
"HG2":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.071, 'type': 'HC'},
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
"OE2":{'torsion': 270.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 117.2, 'blen': 1.26, 'charge': -0.721, 'type': 'O2'},
"NAMRES":'GLUTAMIC ACID COO- ANION',
"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'OE1', 'OE2', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
"CD":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.527, 'charge': 0.714, 'type': 'C'},
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 17, 'I': 18, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CG":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.51, 'charge': -0.398, 'type': 'CT'},
"OE1":{'torsion': 90.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 117.2, 'blen': 1.26, 'charge': -0.721, 'type': 'O2'},
"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.184, 'type': 'CT'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 17, 'I': 19, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CUT":['0.00000'],
"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 17, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
},
"TRP": { "HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 28, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"HZ2":{'torsion': 0.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 120.0, 'blen': 1.09, 'charge': 0.084, 'type': 'HC'},
"HZ3":{'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 21, 'I': 22, 'angle': 120.0, 'blen': 1.09, 'charge': 0.057, 'type': 'HC'},
"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CD1', 'CE2', 'NE1', 'HE1'], ['CE2', 'CH2', 'CZ2', 'HZ2'], ['CZ2', 'CZ3', 'CH2', 'HH2'], ['CH2', 'CE3', 'CZ3', 'HZ3'], ['CZ3', 'CD2', 'CE3', 'HE3']],
"CH2":{'torsion': 180.0, 'tree': 'B', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 19, 'angle': 116.0, 'blen': 1.39, 'charge': -0.077, 'type': 'CA'},
"CZ3":{'torsion': 0.0, 'tree': 'B', 'NC': 16, 'NB': 17, 'NA': 19, 'I': 21, 'angle': 121.0, 'blen': 1.35, 'charge': -0.066, 'type': 'CA'},
"NE1":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 107.0, 'blen': 1.43, 'charge': -0.352, 'type': 'NA'},
"INTX,KFORM":['INT', '1'],
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"HE3":{'torsion': 180.0, 'tree': 'E', 'NC': 19, 'NB': 21, 'NA': 23, 'I': 24, 'angle': 120.0, 'blen': 1.09, 'charge': 0.086, 'type': 'HC'},
"HD1":{'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.09, 'charge': 0.093, 'type': 'HC'},
"HE1":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 125.5, 'blen': 1.01, 'charge': 0.271, 'type': 'H'},
"NAMRES":'TRYPTOPHAN COO- ANION',
"CD1":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 127.0, 'blen': 1.34, 'charge': 0.044, 'type': 'CW'},
"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'CD1', 'HD1', 'NE1', 'HE1', 'CE2', 'CZ2', 'HZ2', 'CH2', 'HH2', 'CZ3', 'HZ3', 'CE3', 'HE3', 'CD2', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"CD2":{'torsion': 0.0, 'tree': 'E', 'NC': 19, 'NB': 21, 'NA': 23, 'I': 25, 'angle': 117.0, 'blen': 1.4, 'charge': 0.146, 'type': 'CB'},
"CE2":{'torsion': 0.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 109.0, 'blen': 1.31, 'charge': 0.154, 'type': 'CN'},
"CE3":{'torsion': 0.0, 'tree': 'B', 'NC': 17, 'NB': 19, 'NA': 21, 'I': 23, 'angle': 122.0, 'blen': 1.41, 'charge': -0.173, 'type': 'CA'},
"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 27, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51, 'charge': -0.135, 'type': 'C*'},
"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'},
"CZ2":{'torsion': 180.0, 'tree': 'B', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 128.0, 'blen': 1.4, 'charge': -0.168, 'type': 'CA'},
"loopList":[['CG', 'CD2'], ['CE2', 'CD2']],
"CUT":['0.00000'],
"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 26, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
"HH2":{'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 17, 'NA': 19, 'I': 20, 'angle': 120.0, 'blen': 1.09, 'charge': 0.074, 'type': 'HC'},
},
"GLY": { "HA3":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 109.5, 'blen': 1.09, 'charge': 0.032, 'type': 'HC'},
"atNameList":['N', 'H', 'CA', 'HA2', 'HA3', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"HA2":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.032, 'type': 'HC'},
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 9, 'I': 10, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
"INTX,KFORM":['INT', '1'],
"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"CUT":['0.00000'],
"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 9, 'angle': 110.4, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 9, 'I': 11, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"NAMRES":'GLYCINE COO- ANION',
},
"THR": { "atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB', 'CG2', 'HG21', 'HG22', 'HG23', 'OG1', 'HG1', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"HG23":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.065, 'type': 'HC'},
"HB":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.082, 'type': 'HC'},
"HG22":{'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.065, 'type': 'HC'},
"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': 0.17, 'type': 'CT'},
"HG1":{'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 109.47, 'blen': 0.96, 'charge': 0.31, 'type': 'HO'},
"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
"HG21":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 109.5, 'blen': 1.09, 'charge': 0.065, 'type': 'HC'},
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
"INTX,KFORM":['INT', '1'],
"OG1":{'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 14, 'angle': 109.47, 'blen': 1.43, 'charge': -0.55, 'type': 'OH'},
"CG2":{'torsion': 300.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525, 'charge': -0.191, 'type': 'CT'},
"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CUT":['0.00000'],
"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 16, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 18, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"NAMRES":'THREONINE COO- ANION',
},
"HIP": { "HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.086, 'type': 'HC'},
"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.086, 'type': 'HC'},
"NE2":{'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 109.0, 'blen': 1.31, 'charge': -0.058, 'type': 'NA'},
"ND1":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 122.0, 'blen': 1.39, 'charge': -0.058, 'type': 'NA'},
"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'CE1', 'ND1', 'HD1'], ['CE1', 'CD2', 'NE2', 'HE2']],
"CE1":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 108.0, 'blen': 1.32, 'charge': 0.114, 'type': 'CR'},
"INTX,KFORM":['INT', '1'],
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"HD1":{'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 126.0, 'blen': 1.01, 'charge': 0.306, 'type': 'H'},
"HE2":{'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 125.0, 'blen': 1.01, 'charge': 0.306, 'type': 'H'},
"NAMRES":'HISTIDINE PLUS COO-',
"HE":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09, 'charge': 0.158, 'type': 'HC'},
"HD":{'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 19, 'angle': 120.0, 'blen': 1.09, 'charge': 0.153, 'type': 'HC'},
"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'ND1', 'HD1', 'CE1', 'HE', 'NE2', 'HE2', 'CD2', 'HD', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"CD2":{'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 110.0, 'blen': 1.36, 'charge': -0.037, 'type': 'CW'},
"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 20, 'I': 21, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51, 'charge': 0.058, 'type': 'CC'},
"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 20, 'I': 22, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"loopList":[['CG', 'CD2']],
"CUT":['0.00000'],
"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 20, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
},
"VAL": { "HG22":{'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09, 'charge': 0.031, 'type': 'HC'},
"HG23":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 17, 'angle': 109.5, 'blen': 1.09, 'charge': 0.031, 'type': 'HC'},
"HG21":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.031, 'type': 'HC'},
"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
"HG13":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.031, 'type': 'HC'},
"HG12":{'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.031, 'type': 'HC'},
"HG11":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 109.5, 'blen': 1.09, 'charge': 0.031, 'type': 'HC'},
"INTX,KFORM":['INT', '1'],
"CG2":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 14, 'angle': 109.47, 'blen': 1.525, 'charge': -0.091, 'type': 'CT'},
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"CG1":{'torsion': 60.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525, 'charge': -0.091, 'type': 'CT'},
"NAMRES":'VALINE COO- ANION',
"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB', 'CG1', 'HG11', 'HG12', 'HG13', 'CG2', 'HG21', 'HG22', 'HG23', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"HB":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.024, 'type': 'HC'},
"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 18, 'I': 19, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.012, 'type': 'CT'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 18, 'I': 20, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CUT":['0.00000'],
"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 18, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
},
"ILE": { "HG22":{'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.029, 'type': 'HC'},
"HG23":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.029, 'type': 'HC'},
"HG21":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 109.5, 'blen': 1.09, 'charge': 0.029, 'type': 'HC'},
"HD13":{'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 14, 'NA': 17, 'I': 20, 'angle': 109.5, 'blen': 1.09, 'charge': 0.028, 'type': 'HC'},
"HG13":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09, 'charge': 0.027, 'type': 'HC'},
"HG12":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.027, 'type': 'HC'},
"INTX,KFORM":['INT', '1'],
"CG2":{'torsion': 60.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525, 'charge': -0.085, 'type': 'CT'},
"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
"CG1":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 14, 'angle': 109.47, 'blen': 1.525, 'charge': -0.049, 'type': 'CT'},
"NAMRES":'ISOLEUCINE COO- ANION',
"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB', 'CG2', 'HG21', 'HG22', 'HG23', 'CG1', 'HG12', 'HG13', 'CD1', 'HD11', 'HD12', 'HD13', 'C', 'O', 'OXT'],
"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
"HD11":{'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09, 'charge': 0.028, 'type': 'HC'},
"HD12":{'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09, 'charge': 0.028, 'type': 'HC'},
"HB":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.022, 'type': 'HC'},
"CD1":{'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 17, 'angle': 109.47, 'blen': 1.525, 'charge': -0.085, 'type': 'CT'},
"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 22, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 109.47, 'blen': 1.525, 'charge': -0.012, 'type': 'CT'},
"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 23, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
"CUT":['0.00000'],
"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 21, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
},
"filename":'allct.in',
} | allct_dat = {'TYR': {'HB2': {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'}, 'HB3': {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'}, 'impropTors': [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']], 'INTX,KFORM': ['INT', '1'], 'HD2': {'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 19, 'NA': 21, 'I': 22, 'angle': 120.0, 'blen': 1.09, 'charge': 0.064, 'type': 'HC'}, 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'OH': {'torsion': 180.0, 'tree': 'S', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.0, 'blen': 1.36, 'charge': -0.528, 'type': 'OH'}, 'HD1': {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.09, 'charge': 0.064, 'type': 'HC'}, 'HE1': {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09, 'charge': 0.102, 'type': 'HC'}, 'HE2': {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 19, 'I': 20, 'angle': 120.0, 'blen': 1.09, 'charge': 0.102, 'type': 'HC'}, 'CD2': {'torsion': 0.0, 'tree': 'S', 'NC': 14, 'NB': 16, 'NA': 19, 'I': 21, 'angle': 120.0, 'blen': 1.4, 'charge': -0.002, 'type': 'CA'}, 'NAMRES': 'TYROSINE COO- ANION', 'CD1': {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.4, 'charge': -0.002, 'type': 'CA'}, 'atNameList': ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'CD1', 'HD1', 'CE1', 'HE1', 'CZ', 'OH', 'HH', 'CE2', 'HE2', 'CD2', 'HD2', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'CE1': {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 120.0, 'blen': 1.4, 'charge': -0.264, 'type': 'CA'}, 'CE2': {'torsion': 0.0, 'tree': 'B', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 19, 'angle': 120.0, 'blen': 1.4, 'charge': -0.264, 'type': 'CA'}, 'HA': {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'}, 'HH': {'torsion': 0.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 113.0, 'blen': 0.96, 'charge': 0.334, 'type': 'HO'}, 'CZ': {'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 120.0, 'blen': 1.4, 'charge': 0.462, 'type': 'C'}, 'H': {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'}, 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'}, 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 23, 'I': 24, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CG': {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.51, 'charge': -0.03, 'type': 'CA'}, 'CA': {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'}, 'CB': {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 23, 'I': 25, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'loopList': [['CG', 'CD2']], 'CUT': ['0.00000'], 'C': {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 23, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'}}, 'ASN': {'HB2': {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'}, 'HB3': {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'}, 'atNameList': ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'OD1', 'ND2', 'HD21', 'HD22', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'ND2': {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 116.6, 'blen': 1.335, 'charge': -0.867, 'type': 'N'}, 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CB': {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.086, 'type': 'CT'}, 'impropTors': [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CB', 'ND2', 'CG', 'OD1'], ['CG', 'HD21', 'ND2', 'HD22']], 'HA': {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'}, 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'}, 'INTX,KFORM': ['INT', '1'], 'CG': {'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 111.1, 'blen': 1.522, 'charge': 0.675, 'type': 'C'}, 'CA': {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'}, 'H': {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'}, 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'HD21': {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 119.8, 'blen': 1.01, 'charge': 0.344, 'type': 'H'}, 'OD1': {'torsion': 0.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 120.5, 'blen': 1.229, 'charge': -0.47, 'type': 'O'}, 'HD22': {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 15, 'angle': 119.8, 'blen': 1.01, 'charge': 0.344, 'type': 'H'}, 'CUT': ['0.00000'], 'C': {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 16, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 18, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'NAMRES': 'ASPARAGINE COO- ANION'}, 'CYS': {'HB2': {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'}, 'HB3': {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'}, 'atNameList': ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'SG', 'HSG', 'LP1', 'LP2', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'SG': {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 116.0, 'blen': 1.81, 'charge': 0.827, 'type': 'SH'}, 'LP1': {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 96.7, 'blen': 0.679, 'charge': -0.481, 'type': 'LP'}, 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 15, 'I': 16, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CB': {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.06, 'type': 'CT'}, 'impropTors': [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']], 'HA': {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'}, 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'}, 'INTX,KFORM': ['INT', '1'], 'LP2': {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 96.7, 'blen': 0.679, 'charge': -0.481, 'type': 'LP'}, 'CA': {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'}, 'H': {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'}, 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'HSG': {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 96.0, 'blen': 1.33, 'charge': 0.135, 'type': 'HS'}, 'CUT': ['0.00000'], 'C': {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 15, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 15, 'I': 17, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'NAMRES': 'CYSTEINE COO- ANION'}, 'ARG': {'HB2': {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.056, 'type': 'HC'}, 'HB3': {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.056, 'type': 'HC'}, 'impropTors': [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['NE', 'NH1', 'CZ', 'NH2'], ['CD', 'CZ', 'NE', 'HE'], ['CZ', 'HH12', 'NH1', 'HH11'], ['CZ', 'HH22', 'NH2', 'HH21']], 'HH11': {'torsion': 0.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 20, 'I': 21, 'angle': 119.8, 'blen': 1.01, 'charge': 0.361, 'type': 'H3'}, 'HH12': {'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 20, 'I': 22, 'angle': 119.8, 'blen': 1.01, 'charge': 0.361, 'type': 'H3'}, 'HH21': {'torsion': 0.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 23, 'I': 24, 'angle': 119.8, 'blen': 1.01, 'charge': 0.361, 'type': 'H3'}, 'HH22': {'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 23, 'I': 25, 'angle': 119.8, 'blen': 1.01, 'charge': 0.361, 'type': 'H3'}, 'INTX,KFORM': ['INT', '1'], 'NE': {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 17, 'angle': 111.0, 'blen': 1.48, 'charge': -0.324, 'type': 'N2'}, 'HG2': {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.074, 'type': 'HC'}, 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'}, 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'HD2': {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.133, 'type': 'HC'}, 'HD3': {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09, 'charge': 0.133, 'type': 'HC'}, 'NAMRES': 'ARGININE COO- ANION', 'HE': {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 118.5, 'blen': 1.01, 'charge': 0.269, 'type': 'H3'}, 'atNameList': ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'HD2', 'HD3', 'NE', 'HE', 'CZ', 'NH1', 'HH11', 'HH12', 'NH2', 'HH21', 'HH22', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'NH2': {'torsion': 180.0, 'tree': 'B', 'NC': 14, 'NB': 17, 'NA': 19, 'I': 23, 'angle': 118.0, 'blen': 1.33, 'charge': -0.624, 'type': 'N2'}, 'HG3': {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.074, 'type': 'HC'}, 'NH1': {'torsion': 0.0, 'tree': 'B', 'NC': 14, 'NB': 17, 'NA': 19, 'I': 20, 'angle': 122.0, 'blen': 1.33, 'charge': -0.624, 'type': 'N2'}, 'HA': {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'}, 'CZ': {'torsion': 180.0, 'tree': 'B', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 123.0, 'blen': 1.33, 'charge': 0.76, 'type': 'CA'}, 'H': {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'}, 'CD': {'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.525, 'charge': -0.228, 'type': 'CT'}, 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 27, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CG': {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': -0.103, 'type': 'CT'}, 'CA': {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'}, 'CB': {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.08, 'type': 'CT'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 28, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CUT': ['0.00000'], 'C': {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 26, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'}}, 'LEU': {'HB2': {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.033, 'type': 'HC'}, 'HB3': {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.033, 'type': 'HC'}, 'impropTors': [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']], 'INTX,KFORM': ['INT', '1'], 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'NAMRES': 'LEUCINE COO- ANION', 'HG': {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.031, 'type': 'HC'}, 'atNameList': ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG', 'CD1', 'HD11', 'HD12', 'HD13', 'CD2', 'HD21', 'HD22', 'HD23', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'HD11': {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 109.5, 'blen': 1.09, 'charge': 0.034, 'type': 'HC'}, 'HD12': {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.034, 'type': 'HC'}, 'HD13': {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 16, 'angle': 109.5, 'blen': 1.09, 'charge': 0.034, 'type': 'HC'}, 'CD2': {'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 17, 'angle': 109.47, 'blen': 1.525, 'charge': -0.107, 'type': 'CT'}, 'CD1': {'torsion': 60.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.47, 'blen': 1.525, 'charge': -0.107, 'type': 'CT'}, 'HA': {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'}, 'H': {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'}, 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'}, 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 22, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CG': {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': -0.01, 'type': 'CT'}, 'CA': {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'}, 'CB': {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.061, 'type': 'CT'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 23, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'HD21': {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09, 'charge': 0.034, 'type': 'HC'}, 'HD23': {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 17, 'I': 20, 'angle': 109.5, 'blen': 1.09, 'charge': 0.034, 'type': 'HC'}, 'HD22': {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09, 'charge': 0.034, 'type': 'HC'}, 'CUT': ['0.00000'], 'C': {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 21, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'}}, 'HID': {'HB2': {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'}, 'HB3': {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'}, 'NE2': {'torsion': 0.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 109.0, 'blen': 1.31, 'charge': -0.502, 'type': 'NB'}, 'ND1': {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 122.0, 'blen': 1.39, 'charge': -0.146, 'type': 'NA'}, 'impropTors': [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'CE1', 'ND1', 'HD1']], 'CE1': {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 108.0, 'blen': 1.32, 'charge': 0.241, 'type': 'CR'}, 'INTX,KFORM': ['INT', '1'], 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'HD1': {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 126.0, 'blen': 1.01, 'charge': 0.228, 'type': 'H'}, 'NAMRES': 'HISTIDINE DELTAH COO- ANION', 'HE': {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09, 'charge': 0.036, 'type': 'HC'}, 'HD': {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 120.0, 'blen': 1.09, 'charge': 0.018, 'type': 'HC'}, 'atNameList': ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'ND1', 'HD1', 'CE1', 'HE', 'NE2', 'CD2', 'HD', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'CD2': {'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 110.0, 'blen': 1.36, 'charge': 0.195, 'type': 'CV'}, 'HA': {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'}, 'H': {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'}, 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'}, 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CG': {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51, 'charge': -0.032, 'type': 'CC'}, 'CA': {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'}, 'CB': {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 21, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'loopList': [['CG', 'CD2']], 'CUT': ['0.00000'], 'C': {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'}}, 'HIE': {'HB2': {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'}, 'HB3': {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'}, 'NE2': {'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 15, 'angle': 109.0, 'blen': 1.31, 'charge': -0.146, 'type': 'NA'}, 'ND1': {'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 122.0, 'blen': 1.39, 'charge': -0.502, 'type': 'NB'}, 'impropTors': [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CE1', 'CD2', 'NE2', 'HE2']], 'CE1': {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 108.0, 'blen': 1.32, 'charge': 0.241, 'type': 'CR'}, 'INTX,KFORM': ['INT', '1'], 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'HE2': {'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 13, 'NA': 15, 'I': 16, 'angle': 125.0, 'blen': 1.01, 'charge': 0.228, 'type': 'H'}, 'NAMRES': 'HISTIDINE EPSILON-H COO- ANION', 'HE': {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 14, 'angle': 120.0, 'blen': 1.09, 'charge': 0.036, 'type': 'HC'}, 'HD': {'torsion': 180.0, 'tree': 'E', 'NC': 13, 'NB': 15, 'NA': 17, 'I': 18, 'angle': 120.0, 'blen': 1.09, 'charge': 0.114, 'type': 'HC'}, 'atNameList': ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'ND1', 'CE1', 'HE', 'NE2', 'HE2', 'CD2', 'HD', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'CD2': {'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 13, 'NA': 15, 'I': 17, 'angle': 110.0, 'blen': 1.36, 'charge': -0.184, 'type': 'CW'}, 'HA': {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'}, 'H': {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'}, 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'}, 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CG': {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51, 'charge': 0.251, 'type': 'CC'}, 'CA': {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'}, 'CB': {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 21, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'loopList': [['CG', 'CD2']], 'CUT': ['0.00000'], 'C': {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'}}, 'MET': {'HB2': {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.027, 'type': 'HC'}, 'HB3': {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.027, 'type': 'HC'}, 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 22, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'impropTors': [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']], 'SD': {'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 110.0, 'blen': 1.81, 'charge': 0.737, 'type': 'S'}, 'LP1': {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 96.7, 'blen': 0.679, 'charge': -0.381, 'type': 'LP'}, 'HG3': {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0652, 'type': 'HC'}, 'HG2': {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0652, 'type': 'HC'}, 'INTX,KFORM': ['INT', '1'], 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'HE3': {'torsion': 300.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 20, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0652, 'type': 'HC'}, 'HE2': {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0652, 'type': 'HC'}, 'HE1': {'torsion': 60.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0652, 'type': 'HC'}, 'NAMRES': 'METHIONINE COO- ANION', 'atNameList': ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'SD', 'LP1', 'LP2', 'CE', 'HE1', 'HE2', 'HE3', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'HA': {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'}, 'H': {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'}, 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'}, 'CE': {'torsion': 180.0, 'tree': '3', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 17, 'angle': 100.0, 'blen': 1.78, 'charge': -0.134, 'type': 'CT'}, 'CG': {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': -0.054, 'type': 'CT'}, 'CA': {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'}, 'CB': {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.151, 'type': 'CT'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 23, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'LP2': {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 96.7, 'blen': 0.679, 'charge': -0.381, 'type': 'LP'}, 'CUT': ['0.00000'], 'C': {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 21, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'}}, 'IDBGEN,IREST,ITYPF': ['1', '1', '201'], 'ALA': {'HB2': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'}, 'HB3': {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'}, 'atNameList': ['N', 'H', 'CA', 'HA', 'CB', 'HB1', 'HB2', 'HB3', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'HB1': {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'}, 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 12, 'I': 13, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CB': {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'}, 'impropTors': [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']], 'HA': {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'}, 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'}, 'INTX,KFORM': ['INT', '1'], 'CA': {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'}, 'H': {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'}, 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'CUT': ['0.00000'], 'C': {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 12, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 12, 'I': 14, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'NAMRES': 'ALANINE COO- ANION'}, 'PHE': {'HB2': {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'}, 'HB3': {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'}, 'impropTors': [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']], 'INTX,KFORM': ['INT', '1'], 'HD2': {'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 18, 'NA': 20, 'I': 21, 'angle': 120.0, 'blen': 1.09, 'charge': 0.058, 'type': 'HC'}, 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'HD1': {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.09, 'charge': 0.058, 'type': 'HC'}, 'HE1': {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09, 'charge': 0.063, 'type': 'HC'}, 'HE2': {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 19, 'angle': 120.0, 'blen': 1.09, 'charge': 0.063, 'type': 'HC'}, 'CD2': {'torsion': 0.0, 'tree': 'S', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 20, 'angle': 120.0, 'blen': 1.4, 'charge': -0.069, 'type': 'CA'}, 'NAMRES': 'PHENYLALANINE COO- ANION', 'CD1': {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.4, 'charge': -0.069, 'type': 'CA'}, 'atNameList': ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'CD1', 'HD1', 'CE1', 'HE1', 'CZ', 'HZ', 'CE2', 'HE2', 'CD2', 'HD2', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'CE1': {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 120.0, 'blen': 1.4, 'charge': -0.059, 'type': 'CA'}, 'CE2': {'torsion': 0.0, 'tree': 'B', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 120.0, 'blen': 1.4, 'charge': -0.059, 'type': 'CA'}, 'HA': {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'}, 'CZ': {'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 120.0, 'blen': 1.4, 'charge': -0.065, 'type': 'CA'}, 'H': {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'}, 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'}, 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 22, 'I': 23, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CG': {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51, 'charge': 0.055, 'type': 'CA'}, 'CA': {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'}, 'CB': {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 22, 'I': 24, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'loopList': [['CG', 'CD2']], 'CUT': ['0.00000'], 'C': {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 22, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'}, 'HZ': {'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.0, 'blen': 1.09, 'charge': 0.062, 'type': 'HC'}}, 'CYX': {'HB2': {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0495, 'type': 'HC'}, 'HB3': {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0495, 'type': 'HC'}, 'atNameList': ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'SG', 'LP1', 'LP2', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'SG': {'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 116.0, 'blen': 1.81, 'charge': 0.824, 'type': 'S'}, 'LP1': {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 96.7, 'blen': 0.679, 'charge': -0.4045, 'type': 'LP'}, 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CB': {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'}, 'impropTors': [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']], 'HA': {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'}, 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'}, 'INTX,KFORM': ['INT', '1'], 'LP2': {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 96.7, 'blen': 0.679, 'charge': -0.4045, 'type': 'LP'}, 'CA': {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'}, 'H': {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'}, 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'CUT': ['0.00000'], 'C': {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 14, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 16, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'NAMRES': 'CYSTINE(S-S BRIDGE) COO- ANION'}, 'PRO': {'HB2': {'torsion': 136.3, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.061, 'type': 'HC'}, 'HB3': {'torsion': 256.3, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.061, 'type': 'HC'}, 'impropTors': [['CA', 'OXT', 'C', 'O'], ['-M', 'CA', 'N', 'CD']], 'INTX,KFORM': ['INT', '1'], 'HG3': {'torsion': 98.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.063, 'type': 'HC'}, 'HG2': {'torsion': 218.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.063, 'type': 'HC'}, 'CD': {'torsion': 356.1, 'tree': '3', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 126.1, 'blen': 1.458, 'charge': -0.012, 'type': 'CT'}, 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'loopList': [['CA', 'CB']], 'HD2': {'torsion': 80.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 109.5, 'blen': 1.09, 'charge': 0.06, 'type': 'HC'}, 'HD3': {'torsion': 320.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.06, 'type': 'HC'}, 'NAMRES': 'PROLINE COO- ANION', 'atNameList': ['N', 'CD', 'HD2', 'HD3', 'CG', 'HG2', 'HG3', 'CB', 'HB2', 'HB3', 'CA', 'HA', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'HA': {'torsion': 81.1, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'}, 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 117.0, 'blen': 1.337, 'charge': -0.229, 'type': 'N'}, 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CG': {'torsion': 200.1, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 103.2, 'blen': 1.5, 'charge': -0.121, 'type': 'CT'}, 'CA': {'torsion': 175.2, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 14, 'angle': 120.6, 'blen': 1.451, 'charge': 0.035, 'type': 'CT'}, 'CB': {'torsion': 338.3, 'tree': 'B', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 11, 'angle': 106.0, 'blen': 1.51, 'charge': -0.115, 'type': 'CT'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CUT': ['0.00000'], 'C': {'torsion': 0.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 14, 'I': 16, 'angle': 111.1, 'blen': 1.522, 'charge': 0.438, 'type': 'C'}}, 'LYS': {'HB2': {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'}, 'HB3': {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'}, 'HZ2': {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 22, 'angle': 109.47, 'blen': 1.01, 'charge': 0.294, 'type': 'H3'}, 'HZ3': {'torsion': 300.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 23, 'angle': 109.47, 'blen': 1.01, 'charge': 0.294, 'type': 'H3'}, 'impropTors': [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']], 'HZ1': {'torsion': 60.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 21, 'angle': 109.47, 'blen': 1.01, 'charge': 0.294, 'type': 'H3'}, 'NZ': {'torsion': 180.0, 'tree': '3', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 20, 'angle': 109.47, 'blen': 1.47, 'charge': -0.138, 'type': 'N3'}, 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 24, 'I': 25, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'INTX,KFORM': ['INT', '1'], 'HG3': {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.116, 'type': 'HC'}, 'HG2': {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.116, 'type': 'HC'}, 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'}, 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'HE3': {'torsion': 60.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09, 'charge': 0.098, 'type': 'HC'}, 'HE2': {'torsion': 300.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09, 'charge': 0.098, 'type': 'HC'}, 'HD2': {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.122, 'type': 'HC'}, 'HD3': {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09, 'charge': 0.122, 'type': 'HC'}, 'NAMRES': 'LYSINE COO- ANION', 'atNameList': ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'HD2', 'HD3', 'CE', 'HE2', 'HE3', 'NZ', 'HZ1', 'HZ2', 'HZ3', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'HA': {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'}, 'H': {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'}, 'CD': {'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.525, 'charge': -0.18, 'type': 'CT'}, 'CE': {'torsion': 180.0, 'tree': '3', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 17, 'angle': 109.47, 'blen': 1.525, 'charge': -0.038, 'type': 'CT'}, 'CG': {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': -0.16, 'type': 'CT'}, 'CA': {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'}, 'CB': {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 24, 'I': 26, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CUT': ['0.00000'], 'C': {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 24, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'}}, 'NAMDBF': 'db4.dat', 'SER': {'HB2': {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.119, 'type': 'HC'}, 'HB3': {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.119, 'type': 'HC'}, 'HG': {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.47, 'blen': 0.96, 'charge': 0.31, 'type': 'HO'}, 'atNameList': ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'OG', 'HG', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 13, 'I': 14, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CB': {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': 0.018, 'type': 'CT'}, 'impropTors': [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']], 'OG': {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.43, 'charge': -0.55, 'type': 'OH'}, 'HA': {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'}, 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'}, 'INTX,KFORM': ['INT', '1'], 'CA': {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'}, 'H': {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'}, 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'CUT': ['0.00000'], 'C': {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 13, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 13, 'I': 15, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'NAMRES': 'SERINE COO- ANION'}, 'ASP': {'HB2': {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.071, 'type': 'HC'}, 'HB3': {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.071, 'type': 'HC'}, 'atNameList': ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'OD1', 'OD2', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CB': {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.398, 'type': 'CT'}, 'impropTors': [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CB', 'OD1', 'CG', 'OD2']], 'HA': {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'}, 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'}, 'INTX,KFORM': ['INT', '1'], 'CG': {'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.527, 'charge': 0.714, 'type': 'C'}, 'CA': {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'}, 'H': {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'}, 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'OD2': {'torsion': 270.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 117.2, 'blen': 1.26, 'charge': -0.721, 'type': 'O2'}, 'OD1': {'torsion': 90.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 117.2, 'blen': 1.26, 'charge': -0.721, 'type': 'O2'}, 'CUT': ['0.00000'], 'C': {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 14, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 16, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'NAMRES': 'ASPARTIC ACID COO- ANION'}, 'GLN': {'HB2': {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'}, 'HB3': {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'}, 'NE2': {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 116.6, 'blen': 1.335, 'charge': -0.867, 'type': 'N'}, 'impropTors': [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'NE2', 'CD', 'OE1'], ['CD', 'HE21', 'NE2', 'HE22']], 'INTX,KFORM': ['INT', '1'], 'HG3': {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.057, 'type': 'HC'}, 'HG2': {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.057, 'type': 'HC'}, 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'}, 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'CA': {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'}, 'NAMRES': 'GLUTAMINE COO- ANION', 'atNameList': ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'OE1', 'NE2', 'HE21', 'HE22', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'HE21': {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 119.8, 'blen': 1.01, 'charge': 0.344, 'type': 'H'}, 'HE22': {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 119.8, 'blen': 1.01, 'charge': 0.344, 'type': 'H'}, 'HA': {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'}, 'H': {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'}, 'CD': {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 111.1, 'blen': 1.522, 'charge': 0.675, 'type': 'C'}, 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CG': {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': -0.102, 'type': 'CT'}, 'OE1': {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229, 'charge': -0.47, 'type': 'O'}, 'CB': {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 21, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CUT': ['0.00000'], 'C': {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'}}, 'GLU': {'HB2': {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.092, 'type': 'HC'}, 'HB3': {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.092, 'type': 'HC'}, 'impropTors': [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'OE1', 'CD', 'OE2']], 'INTX,KFORM': ['INT', '1'], 'HG3': {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.071, 'type': 'HC'}, 'HG2': {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.071, 'type': 'HC'}, 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'}, 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'CA': {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'}, 'OE2': {'torsion': 270.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 117.2, 'blen': 1.26, 'charge': -0.721, 'type': 'O2'}, 'NAMRES': 'GLUTAMIC ACID COO- ANION', 'atNameList': ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'OE1', 'OE2', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'HA': {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'}, 'H': {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'}, 'CD': {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.527, 'charge': 0.714, 'type': 'C'}, 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 17, 'I': 18, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CG': {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.51, 'charge': -0.398, 'type': 'CT'}, 'OE1': {'torsion': 90.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 117.2, 'blen': 1.26, 'charge': -0.721, 'type': 'O2'}, 'CB': {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.184, 'type': 'CT'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 17, 'I': 19, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CUT': ['0.00000'], 'C': {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 17, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'}}, 'TRP': {'HB2': {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'}, 'HB3': {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 28, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'HZ2': {'torsion': 0.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 120.0, 'blen': 1.09, 'charge': 0.084, 'type': 'HC'}, 'HZ3': {'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 21, 'I': 22, 'angle': 120.0, 'blen': 1.09, 'charge': 0.057, 'type': 'HC'}, 'impropTors': [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CD1', 'CE2', 'NE1', 'HE1'], ['CE2', 'CH2', 'CZ2', 'HZ2'], ['CZ2', 'CZ3', 'CH2', 'HH2'], ['CH2', 'CE3', 'CZ3', 'HZ3'], ['CZ3', 'CD2', 'CE3', 'HE3']], 'CH2': {'torsion': 180.0, 'tree': 'B', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 19, 'angle': 116.0, 'blen': 1.39, 'charge': -0.077, 'type': 'CA'}, 'CZ3': {'torsion': 0.0, 'tree': 'B', 'NC': 16, 'NB': 17, 'NA': 19, 'I': 21, 'angle': 121.0, 'blen': 1.35, 'charge': -0.066, 'type': 'CA'}, 'NE1': {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 107.0, 'blen': 1.43, 'charge': -0.352, 'type': 'NA'}, 'INTX,KFORM': ['INT', '1'], 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'HE3': {'torsion': 180.0, 'tree': 'E', 'NC': 19, 'NB': 21, 'NA': 23, 'I': 24, 'angle': 120.0, 'blen': 1.09, 'charge': 0.086, 'type': 'HC'}, 'HD1': {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.09, 'charge': 0.093, 'type': 'HC'}, 'HE1': {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 125.5, 'blen': 1.01, 'charge': 0.271, 'type': 'H'}, 'NAMRES': 'TRYPTOPHAN COO- ANION', 'CD1': {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 127.0, 'blen': 1.34, 'charge': 0.044, 'type': 'CW'}, 'atNameList': ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'CD1', 'HD1', 'NE1', 'HE1', 'CE2', 'CZ2', 'HZ2', 'CH2', 'HH2', 'CZ3', 'HZ3', 'CE3', 'HE3', 'CD2', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'CD2': {'torsion': 0.0, 'tree': 'E', 'NC': 19, 'NB': 21, 'NA': 23, 'I': 25, 'angle': 117.0, 'blen': 1.4, 'charge': 0.146, 'type': 'CB'}, 'CE2': {'torsion': 0.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 109.0, 'blen': 1.31, 'charge': 0.154, 'type': 'CN'}, 'CE3': {'torsion': 0.0, 'tree': 'B', 'NC': 17, 'NB': 19, 'NA': 21, 'I': 23, 'angle': 122.0, 'blen': 1.41, 'charge': -0.173, 'type': 'CA'}, 'HA': {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'}, 'H': {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'}, 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'}, 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 27, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CG': {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51, 'charge': -0.135, 'type': 'C*'}, 'CA': {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'}, 'CB': {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'}, 'CZ2': {'torsion': 180.0, 'tree': 'B', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 128.0, 'blen': 1.4, 'charge': -0.168, 'type': 'CA'}, 'loopList': [['CG', 'CD2'], ['CE2', 'CD2']], 'CUT': ['0.00000'], 'C': {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 26, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'}, 'HH2': {'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 17, 'NA': 19, 'I': 20, 'angle': 120.0, 'blen': 1.09, 'charge': 0.074, 'type': 'HC'}}, 'GLY': {'HA3': {'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 109.5, 'blen': 1.09, 'charge': 0.032, 'type': 'HC'}, 'atNameList': ['N', 'H', 'CA', 'HA2', 'HA3', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'HA2': {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.032, 'type': 'HC'}, 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 9, 'I': 10, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'impropTors': [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']], 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'}, 'INTX,KFORM': ['INT', '1'], 'CA': {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'}, 'H': {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'}, 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'CUT': ['0.00000'], 'C': {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 9, 'angle': 110.4, 'blen': 1.522, 'charge': 0.524, 'type': 'C'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 9, 'I': 11, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'NAMRES': 'GLYCINE COO- ANION'}, 'THR': {'atNameList': ['N', 'H', 'CA', 'HA', 'CB', 'HB', 'CG2', 'HG21', 'HG22', 'HG23', 'OG1', 'HG1', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'HG23': {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.065, 'type': 'HC'}, 'HB': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.082, 'type': 'HC'}, 'HG22': {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.065, 'type': 'HC'}, 'CB': {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': 0.17, 'type': 'CT'}, 'HG1': {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 109.47, 'blen': 0.96, 'charge': 0.31, 'type': 'HO'}, 'HA': {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'}, 'impropTors': [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']], 'HG21': {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 109.5, 'blen': 1.09, 'charge': 0.065, 'type': 'HC'}, 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'}, 'INTX,KFORM': ['INT', '1'], 'OG1': {'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 14, 'angle': 109.47, 'blen': 1.43, 'charge': -0.55, 'type': 'OH'}, 'CG2': {'torsion': 300.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525, 'charge': -0.191, 'type': 'CT'}, 'CA': {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'}, 'H': {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'}, 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CUT': ['0.00000'], 'C': {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 16, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 18, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'NAMRES': 'THREONINE COO- ANION'}, 'HIP': {'HB2': {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.086, 'type': 'HC'}, 'HB3': {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.086, 'type': 'HC'}, 'NE2': {'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 109.0, 'blen': 1.31, 'charge': -0.058, 'type': 'NA'}, 'ND1': {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 122.0, 'blen': 1.39, 'charge': -0.058, 'type': 'NA'}, 'impropTors': [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'CE1', 'ND1', 'HD1'], ['CE1', 'CD2', 'NE2', 'HE2']], 'CE1': {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 108.0, 'blen': 1.32, 'charge': 0.114, 'type': 'CR'}, 'INTX,KFORM': ['INT', '1'], 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'HD1': {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 126.0, 'blen': 1.01, 'charge': 0.306, 'type': 'H'}, 'HE2': {'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 125.0, 'blen': 1.01, 'charge': 0.306, 'type': 'H'}, 'NAMRES': 'HISTIDINE PLUS COO-', 'HE': {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09, 'charge': 0.158, 'type': 'HC'}, 'HD': {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 19, 'angle': 120.0, 'blen': 1.09, 'charge': 0.153, 'type': 'HC'}, 'atNameList': ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'ND1', 'HD1', 'CE1', 'HE', 'NE2', 'HE2', 'CD2', 'HD', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'CD2': {'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 110.0, 'blen': 1.36, 'charge': -0.037, 'type': 'CW'}, 'HA': {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'}, 'H': {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'}, 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'}, 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 20, 'I': 21, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CG': {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51, 'charge': 0.058, 'type': 'CC'}, 'CA': {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'}, 'CB': {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 20, 'I': 22, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'loopList': [['CG', 'CD2']], 'CUT': ['0.00000'], 'C': {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 20, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'}}, 'VAL': {'HG22': {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09, 'charge': 0.031, 'type': 'HC'}, 'HG23': {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 17, 'angle': 109.5, 'blen': 1.09, 'charge': 0.031, 'type': 'HC'}, 'HG21': {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.031, 'type': 'HC'}, 'impropTors': [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']], 'HG13': {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.031, 'type': 'HC'}, 'HG12': {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.031, 'type': 'HC'}, 'HG11': {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 109.5, 'blen': 1.09, 'charge': 0.031, 'type': 'HC'}, 'INTX,KFORM': ['INT', '1'], 'CG2': {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 14, 'angle': 109.47, 'blen': 1.525, 'charge': -0.091, 'type': 'CT'}, 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'CG1': {'torsion': 60.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525, 'charge': -0.091, 'type': 'CT'}, 'NAMRES': 'VALINE COO- ANION', 'atNameList': ['N', 'H', 'CA', 'HA', 'CB', 'HB', 'CG1', 'HG11', 'HG12', 'HG13', 'CG2', 'HG21', 'HG22', 'HG23', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'HB': {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.024, 'type': 'HC'}, 'HA': {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'}, 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'}, 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 18, 'I': 19, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'H': {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'}, 'CA': {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'}, 'CB': {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.012, 'type': 'CT'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 18, 'I': 20, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CUT': ['0.00000'], 'C': {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 18, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'}}, 'ILE': {'HG22': {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.029, 'type': 'HC'}, 'HG23': {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.029, 'type': 'HC'}, 'HG21': {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 109.5, 'blen': 1.09, 'charge': 0.029, 'type': 'HC'}, 'HD13': {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 14, 'NA': 17, 'I': 20, 'angle': 109.5, 'blen': 1.09, 'charge': 0.028, 'type': 'HC'}, 'HG13': {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09, 'charge': 0.027, 'type': 'HC'}, 'HG12': {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.027, 'type': 'HC'}, 'INTX,KFORM': ['INT', '1'], 'CG2': {'torsion': 60.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525, 'charge': -0.085, 'type': 'CT'}, 'IFIXC,IOMIT,ISYMDU,IPOS': ['CORR', 'OMIT', 'DU', 'BEG'], 'CG1': {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 14, 'angle': 109.47, 'blen': 1.525, 'charge': -0.049, 'type': 'CT'}, 'NAMRES': 'ISOLEUCINE COO- ANION', 'atNameList': ['N', 'H', 'CA', 'HA', 'CB', 'HB', 'CG2', 'HG21', 'HG22', 'HG23', 'CG1', 'HG12', 'HG13', 'CD1', 'HD11', 'HD12', 'HD13', 'C', 'O', 'OXT'], 'DUMM': [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']], 'HD11': {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09, 'charge': 0.028, 'type': 'HC'}, 'HD12': {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09, 'charge': 0.028, 'type': 'HC'}, 'HB': {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.022, 'type': 'HC'}, 'CD1': {'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 17, 'angle': 109.47, 'blen': 1.525, 'charge': -0.085, 'type': 'CT'}, 'HA': {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'}, 'N': {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'}, 'O': {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 22, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'H': {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'}, 'CA': {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'}, 'CB': {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 109.47, 'blen': 1.525, 'charge': -0.012, 'type': 'CT'}, 'OXT': {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 23, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'}, 'CUT': ['0.00000'], 'C': {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 21, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'}, 'impropTors': [['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']]}, 'filename': 'allct.in'} |
def kelime_sayisi(string):
counter = 1
for i in range(0,len(string)):
if string[i] == ' ':
counter += 1
return counter
cumle = input("Cumlenizi giriniz : ")
print("Cumlenizdeki kelime sayisi = {}".format(kelime_sayisi(cumle))) | def kelime_sayisi(string):
counter = 1
for i in range(0, len(string)):
if string[i] == ' ':
counter += 1
return counter
cumle = input('Cumlenizi giriniz : ')
print('Cumlenizdeki kelime sayisi = {}'.format(kelime_sayisi(cumle))) |
class Solution:
def paintHouse(self, cost:list, houses:int, colors:int)->int:
if houses == 0: # no houses to paint
return 0
if colors == 0: # no colors to paint houses
return 0
dp = [[0]*colors for _ in range(houses)]
dp[0] = cost[0]
for i in range(1, houses):
MINCOST = 1000000007
for j in range(colors):
for k in range(colors):
if j != k:
MINCOST = min(MINCOST, dp[i-1][k])
dp[i][j] = cost[i][j] + MINCOST
return min(dp[n-1])
if __name__ == "__main__":
cost = [[1, 5, 7, 2, 1, 4],
[5, 8, 4, 3, 6, 1],
[3, 2, 9, 7, 2, 3],
[1, 2, 4, 9, 1, 7]]
n, k = len(cost), len(cost[0])
print(Solution().paintHouse(cost, n, k)) | class Solution:
def paint_house(self, cost: list, houses: int, colors: int) -> int:
if houses == 0:
return 0
if colors == 0:
return 0
dp = [[0] * colors for _ in range(houses)]
dp[0] = cost[0]
for i in range(1, houses):
mincost = 1000000007
for j in range(colors):
for k in range(colors):
if j != k:
mincost = min(MINCOST, dp[i - 1][k])
dp[i][j] = cost[i][j] + MINCOST
return min(dp[n - 1])
if __name__ == '__main__':
cost = [[1, 5, 7, 2, 1, 4], [5, 8, 4, 3, 6, 1], [3, 2, 9, 7, 2, 3], [1, 2, 4, 9, 1, 7]]
(n, k) = (len(cost), len(cost[0]))
print(solution().paintHouse(cost, n, k)) |
'''
Created on Dec 21, 2014
@author: Ben
'''
def create_new_default(directory: str, dest: dict, param: dict):
'''
Creates new default parameter file based on parameter settings
'''
with open(directory, 'w') as new_default:
new_default.write(
'''TARGET DESTINATION = {}
SAVE DESTINATION = {}
SAVE DESTINATION2 = {}
SAVE STARTUP DEST1 = {}
SAVE STARTUP DEST2 = {}
SAVE TYPE DEST1 = {}
SAVE TYPE DEST2 = {}
'''.format(dest['target'], dest['save'], dest['save2'],
param["dest1_save_on_start"], param["dest2_save_on_start"],
param["save_dest1"], param["save_dest2"])
)
| """
Created on Dec 21, 2014
@author: Ben
"""
def create_new_default(directory: str, dest: dict, param: dict):
"""
Creates new default parameter file based on parameter settings
"""
with open(directory, 'w') as new_default:
new_default.write('TARGET DESTINATION = {} \nSAVE DESTINATION = {}\nSAVE DESTINATION2 = {}\n\nSAVE STARTUP DEST1 = {}\nSAVE STARTUP DEST2 = {}\n\nSAVE TYPE DEST1 = {}\nSAVE TYPE DEST2 = {}\n'.format(dest['target'], dest['save'], dest['save2'], param['dest1_save_on_start'], param['dest2_save_on_start'], param['save_dest1'], param['save_dest2'])) |
"""Exceptions for Renault API."""
class RenaultException(Exception): # noqa: N818
"""Base exception for Renault API errors."""
pass
class NotAuthenticatedException(RenaultException): # noqa: N818
"""You are not authenticated, or authentication has expired."""
pass
| """Exceptions for Renault API."""
class Renaultexception(Exception):
"""Base exception for Renault API errors."""
pass
class Notauthenticatedexception(RenaultException):
"""You are not authenticated, or authentication has expired."""
pass |
def grayscale(image):
for row in range(image.shape[0]):
for col in range(image.shape[1]):
avg = sum(image[row][col][i] for i in range(3)) // 3
image[row][col] = [avg for _ in range(3)]
| def grayscale(image):
for row in range(image.shape[0]):
for col in range(image.shape[1]):
avg = sum((image[row][col][i] for i in range(3))) // 3
image[row][col] = [avg for _ in range(3)] |
def get_cross_sum(n):
start = 1
total = 1
for i in range(1, n):
step = i * 2
start = start + step
total += start * 4 + step * 6
start = start + step * 3
return total
print(get_cross_sum(501)) | def get_cross_sum(n):
start = 1
total = 1
for i in range(1, n):
step = i * 2
start = start + step
total += start * 4 + step * 6
start = start + step * 3
return total
print(get_cross_sum(501)) |
# -*- coding: utf-8 -*-
"""
Created on Sat Oct 10 15:31:57 2020
@author: Tarun Jaiswal
"""
dictone = {
"bookname": "Recursion Sutras",
"subject": "Recursion",
"author": "Champak Roy"
}
dicttwo = dict(dictone)
print(dicttwo) | """
Created on Sat Oct 10 15:31:57 2020
@author: Tarun Jaiswal
"""
dictone = {'bookname': 'Recursion Sutras', 'subject': 'Recursion', 'author': 'Champak Roy'}
dicttwo = dict(dictone)
print(dicttwo) |
class Analyser:
def __init__(self, callbacks, notifiers, state):
self.cbs = callbacks
self.state = state
self.notifiers = notifiers
def on_begin_analyse(self, timestamp):
pass
def on_end_analyse(self, timestamp):
pass
def analyse(self, event):
event_name = event.name
# for 'perf' tool
split_event_name = event.name.split(':')
if len(split_event_name) > 1:
event_name = split_event_name[1].strip()
if event_name in self.cbs:
self.cbs[event_name](event)
elif (event_name.startswith('sys_enter') or \
event_name.startswith('syscall_entry_')) and \
'syscall_entry' in self.cbs:
self.cbs['syscall_entry'](event)
elif (event_name.startswith('sys_exit') or \
event_name.startswith('syscall_exit_')) and \
'syscall_exit' in self.cbs:
self.cbs['syscall_exit'](event)
def notify(self, notification_id, **kwargs):
if notification_id in self.notifiers:
self.notifiers[notification_id](**kwargs)
| class Analyser:
def __init__(self, callbacks, notifiers, state):
self.cbs = callbacks
self.state = state
self.notifiers = notifiers
def on_begin_analyse(self, timestamp):
pass
def on_end_analyse(self, timestamp):
pass
def analyse(self, event):
event_name = event.name
split_event_name = event.name.split(':')
if len(split_event_name) > 1:
event_name = split_event_name[1].strip()
if event_name in self.cbs:
self.cbs[event_name](event)
elif (event_name.startswith('sys_enter') or event_name.startswith('syscall_entry_')) and 'syscall_entry' in self.cbs:
self.cbs['syscall_entry'](event)
elif (event_name.startswith('sys_exit') or event_name.startswith('syscall_exit_')) and 'syscall_exit' in self.cbs:
self.cbs['syscall_exit'](event)
def notify(self, notification_id, **kwargs):
if notification_id in self.notifiers:
self.notifiers[notification_id](**kwargs) |
GOV_AIRPORTS = {
"Antananarivo/Ivato": "big",
"Antsiranana/Diego": "small",
"Fianarantsoa": "small",
"Tolagnaro/Ft. Dauphin": "small",
"Mahajanga": "medium",
"Mananjary": "small",
"Nosy Be": "medium",
"Morondava": "small",
"Sainte Marie": "small",
"Sambava": "small",
"Toamasina": "small",
"Toliary": "small",
}
| gov_airports = {'Antananarivo/Ivato': 'big', 'Antsiranana/Diego': 'small', 'Fianarantsoa': 'small', 'Tolagnaro/Ft. Dauphin': 'small', 'Mahajanga': 'medium', 'Mananjary': 'small', 'Nosy Be': 'medium', 'Morondava': 'small', 'Sainte Marie': 'small', 'Sambava': 'small', 'Toamasina': 'small', 'Toliary': 'small'} |
def fibonacci(n):
fibonacci = np.zeros(10, dtype=np.int32)
fibonacci_pow = np.zeros(10, dtype=np.int32)
fibonacci[0] = 0
fibonacci[1] = 1
for i in np.arange(2, 10):
fibonacci[i] = fibonacci[i - 1] + fibonacci[i - 2]
fibonacci[i] = int(fibonacci[i])
print(fibonacci)
for i in np.arange(10):
fibonacci_pow[i] = np.power(int(fibonacci[i]), int(n))
print(fibonacci_pow)
print(np.vstack((fibonacci, fibonacci_pow)))
np.savetxt("myfibonaccis.txt", np.hstack((fibonacci, fibonacci_pow)), fmt="%u")
def main(n):
fibonacci(n)
if __name__ == "__main__":
INPUT = sys.argv[1]
print(INPUT)
main(INPUT) | def fibonacci(n):
fibonacci = np.zeros(10, dtype=np.int32)
fibonacci_pow = np.zeros(10, dtype=np.int32)
fibonacci[0] = 0
fibonacci[1] = 1
for i in np.arange(2, 10):
fibonacci[i] = fibonacci[i - 1] + fibonacci[i - 2]
fibonacci[i] = int(fibonacci[i])
print(fibonacci)
for i in np.arange(10):
fibonacci_pow[i] = np.power(int(fibonacci[i]), int(n))
print(fibonacci_pow)
print(np.vstack((fibonacci, fibonacci_pow)))
np.savetxt('myfibonaccis.txt', np.hstack((fibonacci, fibonacci_pow)), fmt='%u')
def main(n):
fibonacci(n)
if __name__ == '__main__':
input = sys.argv[1]
print(INPUT)
main(INPUT) |
# Copyright (c) 2020 NVIDIA Corporation
# Permission is hereby granted, free of charge, to any person obtaining
# a copy of this software and associated documentation files (the "Software"),
# to deal in the Software without restriction, including without limitation
# the rights to use, copy, modify, merge, publish, distribute, sublicense,
# and/or sell copies of the Software, and to permit persons to whom the
# Software is furnished to do so, subject to the following conditions:
# The above copyright notice and this permission notice shall be included
# in all copies or substantial portions of the Software.
# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL
# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR
# OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE,
# ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR
# OTHER DEALINGS IN THE SOFTWARE.
"""Convert a .mesh file (fTetWild format) to .tet (IsaacGym format)."""
def convert_mesh_to_tet(mesh_file_path, tet_output_path):
"""Convert a .mesh file to a .tet file."""
mesh_file = open(mesh_file_path, "r")
tet_output = open(tet_output_path, "w")
mesh_lines = list(mesh_file)
mesh_lines = [line.strip('\n') for line in mesh_lines]
vertices_start = mesh_lines.index('Vertices')
num_vertices = mesh_lines[vertices_start + 1]
vertices = mesh_lines[vertices_start + 2:vertices_start + 2
+ int(num_vertices)]
tetrahedra_start = mesh_lines.index('Tetrahedra')
num_tetrahedra = mesh_lines[tetrahedra_start + 1]
tetrahedra = mesh_lines[tetrahedra_start + 2:tetrahedra_start + 2
+ int(num_tetrahedra)]
print("# Vertices, # Tetrahedra:", num_vertices, num_tetrahedra)
# Write to tet output
tet_output.write("# Tetrahedral mesh generated using\n\n")
tet_output.write("# " + num_vertices + " vertices\n")
for v in vertices:
tet_output.write("v " + v + "\n")
tet_output.write("\n")
tet_output.write("# " + num_tetrahedra + " tetrahedra\n")
for t in tetrahedra:
line = t.split(' 0')[0]
line = line.split(" ")
line = [str(int(k) - 1) for k in line]
l_text = ' '.join(line)
tet_output.write("t " + l_text + "\n")
if __name__ == "__main__":
convert_mesh_to_tet(
"path/to/mesh",
"path/to/tet")
| """Convert a .mesh file (fTetWild format) to .tet (IsaacGym format)."""
def convert_mesh_to_tet(mesh_file_path, tet_output_path):
"""Convert a .mesh file to a .tet file."""
mesh_file = open(mesh_file_path, 'r')
tet_output = open(tet_output_path, 'w')
mesh_lines = list(mesh_file)
mesh_lines = [line.strip('\n') for line in mesh_lines]
vertices_start = mesh_lines.index('Vertices')
num_vertices = mesh_lines[vertices_start + 1]
vertices = mesh_lines[vertices_start + 2:vertices_start + 2 + int(num_vertices)]
tetrahedra_start = mesh_lines.index('Tetrahedra')
num_tetrahedra = mesh_lines[tetrahedra_start + 1]
tetrahedra = mesh_lines[tetrahedra_start + 2:tetrahedra_start + 2 + int(num_tetrahedra)]
print('# Vertices, # Tetrahedra:', num_vertices, num_tetrahedra)
tet_output.write('# Tetrahedral mesh generated using\n\n')
tet_output.write('# ' + num_vertices + ' vertices\n')
for v in vertices:
tet_output.write('v ' + v + '\n')
tet_output.write('\n')
tet_output.write('# ' + num_tetrahedra + ' tetrahedra\n')
for t in tetrahedra:
line = t.split(' 0')[0]
line = line.split(' ')
line = [str(int(k) - 1) for k in line]
l_text = ' '.join(line)
tet_output.write('t ' + l_text + '\n')
if __name__ == '__main__':
convert_mesh_to_tet('path/to/mesh', 'path/to/tet') |
def split_in_three(data_real, data_fake):
min_v = min(data_fake.min(), data_real.min())
max_v = max(data_fake.max(), data_real.max())
tercio = (max_v - min_v) / 3
# Calculate 1/3
th_one = min_v + tercio
# Calculate 2/3
th_two = max_v - tercio
first_f, second_f, third_f = split_data(th_one, th_two, data_fake)
first_r, second_r, third_r = split_data(th_one, th_two, data_real)
total_f = len(data_fake)
fake = [first_f/total_f, second_f/total_f, third_f/total_f]
total_r = len(data_real)
real = [first_r/total_r, second_r/total_r, third_r/total_r]
return fake, real
def split_data(th_one, th_two, data):
first = 0
second = 0
third = 0
for i in data:
if i <= th_one:
third += 1
elif i >= th_two:
first += 1
else:
second +=1
return first, second, third | def split_in_three(data_real, data_fake):
min_v = min(data_fake.min(), data_real.min())
max_v = max(data_fake.max(), data_real.max())
tercio = (max_v - min_v) / 3
th_one = min_v + tercio
th_two = max_v - tercio
(first_f, second_f, third_f) = split_data(th_one, th_two, data_fake)
(first_r, second_r, third_r) = split_data(th_one, th_two, data_real)
total_f = len(data_fake)
fake = [first_f / total_f, second_f / total_f, third_f / total_f]
total_r = len(data_real)
real = [first_r / total_r, second_r / total_r, third_r / total_r]
return (fake, real)
def split_data(th_one, th_two, data):
first = 0
second = 0
third = 0
for i in data:
if i <= th_one:
third += 1
elif i >= th_two:
first += 1
else:
second += 1
return (first, second, third) |
class Solution(object):
def missingNumber(self, nums):
"""
:type nums: List[int]
:rtype: int
"""
nums_set = set(nums)
full_length = len(nums) + 1
for num in range(full_length):
if num not in nums_set:
return num | class Solution(object):
def missing_number(self, nums):
"""
:type nums: List[int]
:rtype: int
"""
nums_set = set(nums)
full_length = len(nums) + 1
for num in range(full_length):
if num not in nums_set:
return num |
"""Below Python Programme demonstrate rpartition
functions in a string"""
string = "Python is fun"
# 'is' separator is found
print(string.rpartition('is '))
# 'not' separator is not found
print(string.rpartition('not '))
string = "Python is fun, isn't it"
# splits at last occurence of 'is'
print(string.rpartition('is'))
| """Below Python Programme demonstrate rpartition
functions in a string"""
string = 'Python is fun'
print(string.rpartition('is '))
print(string.rpartition('not '))
string = "Python is fun, isn't it"
print(string.rpartition('is')) |
data = (
'Mie ', # 0x00
'Xu ', # 0x01
'Mang ', # 0x02
'Chi ', # 0x03
'Ge ', # 0x04
'Xuan ', # 0x05
'Yao ', # 0x06
'Zi ', # 0x07
'He ', # 0x08
'Ji ', # 0x09
'Diao ', # 0x0a
'Cun ', # 0x0b
'Tong ', # 0x0c
'Ming ', # 0x0d
'Hou ', # 0x0e
'Li ', # 0x0f
'Tu ', # 0x10
'Xiang ', # 0x11
'Zha ', # 0x12
'Xia ', # 0x13
'Ye ', # 0x14
'Lu ', # 0x15
'A ', # 0x16
'Ma ', # 0x17
'Ou ', # 0x18
'Xue ', # 0x19
'Yi ', # 0x1a
'Jun ', # 0x1b
'Chou ', # 0x1c
'Lin ', # 0x1d
'Tun ', # 0x1e
'Yin ', # 0x1f
'Fei ', # 0x20
'Bi ', # 0x21
'Qin ', # 0x22
'Qin ', # 0x23
'Jie ', # 0x24
'Bu ', # 0x25
'Fou ', # 0x26
'Ba ', # 0x27
'Dun ', # 0x28
'Fen ', # 0x29
'E ', # 0x2a
'Han ', # 0x2b
'Ting ', # 0x2c
'Hang ', # 0x2d
'Shun ', # 0x2e
'Qi ', # 0x2f
'Hong ', # 0x30
'Zhi ', # 0x31
'Shen ', # 0x32
'Wu ', # 0x33
'Wu ', # 0x34
'Chao ', # 0x35
'Ne ', # 0x36
'Xue ', # 0x37
'Xi ', # 0x38
'Chui ', # 0x39
'Dou ', # 0x3a
'Wen ', # 0x3b
'Hou ', # 0x3c
'Ou ', # 0x3d
'Wu ', # 0x3e
'Gao ', # 0x3f
'Ya ', # 0x40
'Jun ', # 0x41
'Lu ', # 0x42
'E ', # 0x43
'Ge ', # 0x44
'Mei ', # 0x45
'Ai ', # 0x46
'Qi ', # 0x47
'Cheng ', # 0x48
'Wu ', # 0x49
'Gao ', # 0x4a
'Fu ', # 0x4b
'Jiao ', # 0x4c
'Hong ', # 0x4d
'Chi ', # 0x4e
'Sheng ', # 0x4f
'Ne ', # 0x50
'Tun ', # 0x51
'Fu ', # 0x52
'Yi ', # 0x53
'Dai ', # 0x54
'Ou ', # 0x55
'Li ', # 0x56
'Bai ', # 0x57
'Yuan ', # 0x58
'Kuai ', # 0x59
'[?] ', # 0x5a
'Qiang ', # 0x5b
'Wu ', # 0x5c
'E ', # 0x5d
'Shi ', # 0x5e
'Quan ', # 0x5f
'Pen ', # 0x60
'Wen ', # 0x61
'Ni ', # 0x62
'M ', # 0x63
'Ling ', # 0x64
'Ran ', # 0x65
'You ', # 0x66
'Di ', # 0x67
'Zhou ', # 0x68
'Shi ', # 0x69
'Zhou ', # 0x6a
'Tie ', # 0x6b
'Xi ', # 0x6c
'Yi ', # 0x6d
'Qi ', # 0x6e
'Ping ', # 0x6f
'Zi ', # 0x70
'Gu ', # 0x71
'Zi ', # 0x72
'Wei ', # 0x73
'Xu ', # 0x74
'He ', # 0x75
'Nao ', # 0x76
'Xia ', # 0x77
'Pei ', # 0x78
'Yi ', # 0x79
'Xiao ', # 0x7a
'Shen ', # 0x7b
'Hu ', # 0x7c
'Ming ', # 0x7d
'Da ', # 0x7e
'Qu ', # 0x7f
'Ju ', # 0x80
'Gem ', # 0x81
'Za ', # 0x82
'Tuo ', # 0x83
'Duo ', # 0x84
'Pou ', # 0x85
'Pao ', # 0x86
'Bi ', # 0x87
'Fu ', # 0x88
'Yang ', # 0x89
'He ', # 0x8a
'Zha ', # 0x8b
'He ', # 0x8c
'Hai ', # 0x8d
'Jiu ', # 0x8e
'Yong ', # 0x8f
'Fu ', # 0x90
'Que ', # 0x91
'Zhou ', # 0x92
'Wa ', # 0x93
'Ka ', # 0x94
'Gu ', # 0x95
'Ka ', # 0x96
'Zuo ', # 0x97
'Bu ', # 0x98
'Long ', # 0x99
'Dong ', # 0x9a
'Ning ', # 0x9b
'Tha ', # 0x9c
'Si ', # 0x9d
'Xian ', # 0x9e
'Huo ', # 0x9f
'Qi ', # 0xa0
'Er ', # 0xa1
'E ', # 0xa2
'Guang ', # 0xa3
'Zha ', # 0xa4
'Xi ', # 0xa5
'Yi ', # 0xa6
'Lie ', # 0xa7
'Zi ', # 0xa8
'Mie ', # 0xa9
'Mi ', # 0xaa
'Zhi ', # 0xab
'Yao ', # 0xac
'Ji ', # 0xad
'Zhou ', # 0xae
'Ge ', # 0xaf
'Shuai ', # 0xb0
'Zan ', # 0xb1
'Xiao ', # 0xb2
'Ke ', # 0xb3
'Hui ', # 0xb4
'Kua ', # 0xb5
'Huai ', # 0xb6
'Tao ', # 0xb7
'Xian ', # 0xb8
'E ', # 0xb9
'Xuan ', # 0xba
'Xiu ', # 0xbb
'Wai ', # 0xbc
'Yan ', # 0xbd
'Lao ', # 0xbe
'Yi ', # 0xbf
'Ai ', # 0xc0
'Pin ', # 0xc1
'Shen ', # 0xc2
'Tong ', # 0xc3
'Hong ', # 0xc4
'Xiong ', # 0xc5
'Chi ', # 0xc6
'Wa ', # 0xc7
'Ha ', # 0xc8
'Zai ', # 0xc9
'Yu ', # 0xca
'Di ', # 0xcb
'Pai ', # 0xcc
'Xiang ', # 0xcd
'Ai ', # 0xce
'Hen ', # 0xcf
'Kuang ', # 0xd0
'Ya ', # 0xd1
'Da ', # 0xd2
'Xiao ', # 0xd3
'Bi ', # 0xd4
'Yue ', # 0xd5
'[?] ', # 0xd6
'Hua ', # 0xd7
'Sasou ', # 0xd8
'Kuai ', # 0xd9
'Duo ', # 0xda
'[?] ', # 0xdb
'Ji ', # 0xdc
'Nong ', # 0xdd
'Mou ', # 0xde
'Yo ', # 0xdf
'Hao ', # 0xe0
'Yuan ', # 0xe1
'Long ', # 0xe2
'Pou ', # 0xe3
'Mang ', # 0xe4
'Ge ', # 0xe5
'E ', # 0xe6
'Chi ', # 0xe7
'Shao ', # 0xe8
'Li ', # 0xe9
'Na ', # 0xea
'Zu ', # 0xeb
'He ', # 0xec
'Ku ', # 0xed
'Xiao ', # 0xee
'Xian ', # 0xef
'Lao ', # 0xf0
'Bo ', # 0xf1
'Zhe ', # 0xf2
'Zha ', # 0xf3
'Liang ', # 0xf4
'Ba ', # 0xf5
'Mie ', # 0xf6
'Le ', # 0xf7
'Sui ', # 0xf8
'Fou ', # 0xf9
'Bu ', # 0xfa
'Han ', # 0xfb
'Heng ', # 0xfc
'Geng ', # 0xfd
'Shuo ', # 0xfe
'Ge ', # 0xff
)
| data = ('Mie ', 'Xu ', 'Mang ', 'Chi ', 'Ge ', 'Xuan ', 'Yao ', 'Zi ', 'He ', 'Ji ', 'Diao ', 'Cun ', 'Tong ', 'Ming ', 'Hou ', 'Li ', 'Tu ', 'Xiang ', 'Zha ', 'Xia ', 'Ye ', 'Lu ', 'A ', 'Ma ', 'Ou ', 'Xue ', 'Yi ', 'Jun ', 'Chou ', 'Lin ', 'Tun ', 'Yin ', 'Fei ', 'Bi ', 'Qin ', 'Qin ', 'Jie ', 'Bu ', 'Fou ', 'Ba ', 'Dun ', 'Fen ', 'E ', 'Han ', 'Ting ', 'Hang ', 'Shun ', 'Qi ', 'Hong ', 'Zhi ', 'Shen ', 'Wu ', 'Wu ', 'Chao ', 'Ne ', 'Xue ', 'Xi ', 'Chui ', 'Dou ', 'Wen ', 'Hou ', 'Ou ', 'Wu ', 'Gao ', 'Ya ', 'Jun ', 'Lu ', 'E ', 'Ge ', 'Mei ', 'Ai ', 'Qi ', 'Cheng ', 'Wu ', 'Gao ', 'Fu ', 'Jiao ', 'Hong ', 'Chi ', 'Sheng ', 'Ne ', 'Tun ', 'Fu ', 'Yi ', 'Dai ', 'Ou ', 'Li ', 'Bai ', 'Yuan ', 'Kuai ', '[?] ', 'Qiang ', 'Wu ', 'E ', 'Shi ', 'Quan ', 'Pen ', 'Wen ', 'Ni ', 'M ', 'Ling ', 'Ran ', 'You ', 'Di ', 'Zhou ', 'Shi ', 'Zhou ', 'Tie ', 'Xi ', 'Yi ', 'Qi ', 'Ping ', 'Zi ', 'Gu ', 'Zi ', 'Wei ', 'Xu ', 'He ', 'Nao ', 'Xia ', 'Pei ', 'Yi ', 'Xiao ', 'Shen ', 'Hu ', 'Ming ', 'Da ', 'Qu ', 'Ju ', 'Gem ', 'Za ', 'Tuo ', 'Duo ', 'Pou ', 'Pao ', 'Bi ', 'Fu ', 'Yang ', 'He ', 'Zha ', 'He ', 'Hai ', 'Jiu ', 'Yong ', 'Fu ', 'Que ', 'Zhou ', 'Wa ', 'Ka ', 'Gu ', 'Ka ', 'Zuo ', 'Bu ', 'Long ', 'Dong ', 'Ning ', 'Tha ', 'Si ', 'Xian ', 'Huo ', 'Qi ', 'Er ', 'E ', 'Guang ', 'Zha ', 'Xi ', 'Yi ', 'Lie ', 'Zi ', 'Mie ', 'Mi ', 'Zhi ', 'Yao ', 'Ji ', 'Zhou ', 'Ge ', 'Shuai ', 'Zan ', 'Xiao ', 'Ke ', 'Hui ', 'Kua ', 'Huai ', 'Tao ', 'Xian ', 'E ', 'Xuan ', 'Xiu ', 'Wai ', 'Yan ', 'Lao ', 'Yi ', 'Ai ', 'Pin ', 'Shen ', 'Tong ', 'Hong ', 'Xiong ', 'Chi ', 'Wa ', 'Ha ', 'Zai ', 'Yu ', 'Di ', 'Pai ', 'Xiang ', 'Ai ', 'Hen ', 'Kuang ', 'Ya ', 'Da ', 'Xiao ', 'Bi ', 'Yue ', '[?] ', 'Hua ', 'Sasou ', 'Kuai ', 'Duo ', '[?] ', 'Ji ', 'Nong ', 'Mou ', 'Yo ', 'Hao ', 'Yuan ', 'Long ', 'Pou ', 'Mang ', 'Ge ', 'E ', 'Chi ', 'Shao ', 'Li ', 'Na ', 'Zu ', 'He ', 'Ku ', 'Xiao ', 'Xian ', 'Lao ', 'Bo ', 'Zhe ', 'Zha ', 'Liang ', 'Ba ', 'Mie ', 'Le ', 'Sui ', 'Fou ', 'Bu ', 'Han ', 'Heng ', 'Geng ', 'Shuo ', 'Ge ') |
divisor = int(input())
bound = int(input())
for num in range(bound, 0, -1):
if num % divisor == 0:
print(num)
break
| divisor = int(input())
bound = int(input())
for num in range(bound, 0, -1):
if num % divisor == 0:
print(num)
break |
cities = [
'Budapest',
'Debrecen',
'Miskolc',
'Szeged',
'Pecs',
'Zuglo',
'Gyor',
'Nyiregyhaza',
'Kecskemet',
'Szekesfehervar',
'Szombathely',
'Jozsefvaros',
'Paradsasvar',
'Szolnok',
'Tatabanya',
'Kaposvar',
'Bekescsaba',
'Erd',
'Veszprem',
'Erzsebetvaros',
'Zalaegerszeg',
'Kispest',
'Sopron',
'Eger',
'Nagykanizsa',
'Dunaujvaros',
'Hodmezovasarhely',
'Salgotarjan',
'Cegled',
'Ozd',
'Baja',
'Vac',
'Szekszard',
'Papa',
'Gyongyos',
'Kazincbarcika',
'Godollo',
'Gyula',
'Hajduboszormeny',
'Kiskunfelegyhaza',
'Ajka',
'Oroshaza',
'Mosonmagyarovar',
'Dunakeszi',
'Kiskunhalas',
'Esztergom',
'Jaszbereny',
'Komlo',
'Nagykoros',
'Mako',
'Budaors',
'Szigetszentmiklos',
'Tata',
'Szentendre',
'Hajduszoboszlo',
'Siofok',
'Torokszentmiklos',
'Hatvan',
'Karcag',
'Gyal',
'Monor',
'Keszthely',
'Varpalota',
'Bekes',
'Dombovar',
'Paks',
'Oroszlany',
'Komarom',
'Vecses',
'Mezotur',
'Mateszalka',
'Mohacs',
'Csongrad',
'Kalocsa',
'Kisvarda',
'Szarvas',
'Satoraljaujhely',
'Hajdunanas',
'Balmazujvaros',
'Mezokovesd',
'Tapolca',
'Szazhalombatta',
'Balassagyarmat',
'Tiszaujvaros',
'Dunaharaszti',
'Fot',
'Dabas',
'Abony',
'Berettyoujfalu',
'Puspokladany',
'God',
'Sarvar',
'Gyomaendrod',
'Kiskoros',
'Pomaz',
'Mor',
'Sarospatak',
'Batonyterenye',
'Bonyhad',
'Gyomro',
'Tiszavasvari',
'Ujfeherto',
'Nyirbator',
'Sarbogard',
'Nagykata',
'Budakeszi',
'Pecel',
'Pilisvorosvar',
'Sajoszentpeter',
'Szigethalom',
'Balatonfured',
'Hajduhadhaz',
'Kisujszallas',
'Dorog',
'Kormend',
'Marcali',
'Barcs',
'Tolna',
'Tiszafured',
'Kiskunmajsa',
'Tiszafoldvar',
'Albertirsa',
'Nagyatad',
'Tiszakecske',
'Toeroekbalint',
'Koszeg',
'Celldomolk',
'Heves',
'Mezobereny',
'Szigetvar',
'Pilis',
'Veresegyhaz',
'Bicske',
'Edeleny',
'Lajosmizse',
'Kistarcsa',
'Hajdusamson',
'Csorna',
'Nagykallo',
'Isaszeg',
'Sarkad',
'Kapuvar',
'Ullo',
'Siklos',
'Toekoel',
'Maglod',
'Paszto',
'Szerencs',
'Turkeve',
'Szeghalom',
'Kerepes',
'Jaszapati',
'Janoshalma',
'Tamasi',
'Kunszentmarton',
'Hajdudorog',
'Vasarosnameny',
'Solymar',
'Rackeve',
'Derecske',
'Kecel',
'Nadudvar',
'Ocsa',
'Dunafoldvar',
'Fehergyarmat',
'Kiskunlachaza',
'Kunszentmiklos',
'Szentgotthard',
'Devavanya',
'Biatorbagy',
'Kunhegyes',
'Lenti',
'Ercsi',
'Balatonalmadi',
'Polgar',
'Tura',
'Suelysap',
'Fuzesabony',
'Jaszarokszallas',
'Gardony',
'Tarnok',
'Nyiradony',
'Zalaszentgrot',
'Sandorfalva',
'Soltvadkert',
'Nyergesujfalu',
'Bacsalmas',
'Csomor',
'Putnok',
'Veszto',
'Kistelek',
'Zirc',
'Halasztelek',
'Mindszent',
'Acs',
'Enying',
'Letavertes',
'Nyirtelek',
'Szentlorinc',
'Felsozsolca',
'Solt',
'Fegyvernek',
'Nagyecsed',
'Encs',
'Ibrany',
'Mezokovacshaza',
'Ujszasz',
'Bataszek',
'Balkany',
'Sumeg',
'Tapioszecso',
'Szabadszallas',
'Battonya',
'Polgardi',
'Mezocsat',
'Totkomlos',
'Piliscsaba',
'Szecseny',
'Fuzesgyarmat',
'Kaba',
'Pusztaszabolcs',
'Teglas',
'Mezohegyes',
'Jaszladany',
'Tapioszele',
'Aszod',
'Diosd',
'Taksony',
'Tiszalok',
'Izsak',
'Komadi',
'Lorinci',
'Alsozsolca',
'Kartal',
'Dunavarsany',
'Erdokertes',
'Janossomorja',
'Kerekegyhaza',
'Balatonboglar',
'Szikszo',
'Domsod',
'Nagyhalasz',
'Kisber',
'Kunmadaras',
'Berhida',
'Kondoros',
'Melykut',
'Jaszkiser',
'Csurgo',
'Csorvas',
'Nagyszenas',
'Ujkigyos',
'Tapioszentmarton',
'Tat',
'Egyek',
'Tiszaluc',
'Orbottyan',
'Rakoczifalva',
'Hosszupalyi',
'Paty',
'Elek',
'Vamospercs',
'Morahalom',
'Bugyi',
'Emod',
'Labatlan',
'Csakvar',
'Algyo',
'Kenderes',
'Csenger',
'Fonyod',
'Rakamaz',
'Martonvasar',
'Devecser',
'Orkeny',
'Tokaj',
'Tiszaalpar',
'Kemecse',
'Korosladany'
]
| cities = ['Budapest', 'Debrecen', 'Miskolc', 'Szeged', 'Pecs', 'Zuglo', 'Gyor', 'Nyiregyhaza', 'Kecskemet', 'Szekesfehervar', 'Szombathely', 'Jozsefvaros', 'Paradsasvar', 'Szolnok', 'Tatabanya', 'Kaposvar', 'Bekescsaba', 'Erd', 'Veszprem', 'Erzsebetvaros', 'Zalaegerszeg', 'Kispest', 'Sopron', 'Eger', 'Nagykanizsa', 'Dunaujvaros', 'Hodmezovasarhely', 'Salgotarjan', 'Cegled', 'Ozd', 'Baja', 'Vac', 'Szekszard', 'Papa', 'Gyongyos', 'Kazincbarcika', 'Godollo', 'Gyula', 'Hajduboszormeny', 'Kiskunfelegyhaza', 'Ajka', 'Oroshaza', 'Mosonmagyarovar', 'Dunakeszi', 'Kiskunhalas', 'Esztergom', 'Jaszbereny', 'Komlo', 'Nagykoros', 'Mako', 'Budaors', 'Szigetszentmiklos', 'Tata', 'Szentendre', 'Hajduszoboszlo', 'Siofok', 'Torokszentmiklos', 'Hatvan', 'Karcag', 'Gyal', 'Monor', 'Keszthely', 'Varpalota', 'Bekes', 'Dombovar', 'Paks', 'Oroszlany', 'Komarom', 'Vecses', 'Mezotur', 'Mateszalka', 'Mohacs', 'Csongrad', 'Kalocsa', 'Kisvarda', 'Szarvas', 'Satoraljaujhely', 'Hajdunanas', 'Balmazujvaros', 'Mezokovesd', 'Tapolca', 'Szazhalombatta', 'Balassagyarmat', 'Tiszaujvaros', 'Dunaharaszti', 'Fot', 'Dabas', 'Abony', 'Berettyoujfalu', 'Puspokladany', 'God', 'Sarvar', 'Gyomaendrod', 'Kiskoros', 'Pomaz', 'Mor', 'Sarospatak', 'Batonyterenye', 'Bonyhad', 'Gyomro', 'Tiszavasvari', 'Ujfeherto', 'Nyirbator', 'Sarbogard', 'Nagykata', 'Budakeszi', 'Pecel', 'Pilisvorosvar', 'Sajoszentpeter', 'Szigethalom', 'Balatonfured', 'Hajduhadhaz', 'Kisujszallas', 'Dorog', 'Kormend', 'Marcali', 'Barcs', 'Tolna', 'Tiszafured', 'Kiskunmajsa', 'Tiszafoldvar', 'Albertirsa', 'Nagyatad', 'Tiszakecske', 'Toeroekbalint', 'Koszeg', 'Celldomolk', 'Heves', 'Mezobereny', 'Szigetvar', 'Pilis', 'Veresegyhaz', 'Bicske', 'Edeleny', 'Lajosmizse', 'Kistarcsa', 'Hajdusamson', 'Csorna', 'Nagykallo', 'Isaszeg', 'Sarkad', 'Kapuvar', 'Ullo', 'Siklos', 'Toekoel', 'Maglod', 'Paszto', 'Szerencs', 'Turkeve', 'Szeghalom', 'Kerepes', 'Jaszapati', 'Janoshalma', 'Tamasi', 'Kunszentmarton', 'Hajdudorog', 'Vasarosnameny', 'Solymar', 'Rackeve', 'Derecske', 'Kecel', 'Nadudvar', 'Ocsa', 'Dunafoldvar', 'Fehergyarmat', 'Kiskunlachaza', 'Kunszentmiklos', 'Szentgotthard', 'Devavanya', 'Biatorbagy', 'Kunhegyes', 'Lenti', 'Ercsi', 'Balatonalmadi', 'Polgar', 'Tura', 'Suelysap', 'Fuzesabony', 'Jaszarokszallas', 'Gardony', 'Tarnok', 'Nyiradony', 'Zalaszentgrot', 'Sandorfalva', 'Soltvadkert', 'Nyergesujfalu', 'Bacsalmas', 'Csomor', 'Putnok', 'Veszto', 'Kistelek', 'Zirc', 'Halasztelek', 'Mindszent', 'Acs', 'Enying', 'Letavertes', 'Nyirtelek', 'Szentlorinc', 'Felsozsolca', 'Solt', 'Fegyvernek', 'Nagyecsed', 'Encs', 'Ibrany', 'Mezokovacshaza', 'Ujszasz', 'Bataszek', 'Balkany', 'Sumeg', 'Tapioszecso', 'Szabadszallas', 'Battonya', 'Polgardi', 'Mezocsat', 'Totkomlos', 'Piliscsaba', 'Szecseny', 'Fuzesgyarmat', 'Kaba', 'Pusztaszabolcs', 'Teglas', 'Mezohegyes', 'Jaszladany', 'Tapioszele', 'Aszod', 'Diosd', 'Taksony', 'Tiszalok', 'Izsak', 'Komadi', 'Lorinci', 'Alsozsolca', 'Kartal', 'Dunavarsany', 'Erdokertes', 'Janossomorja', 'Kerekegyhaza', 'Balatonboglar', 'Szikszo', 'Domsod', 'Nagyhalasz', 'Kisber', 'Kunmadaras', 'Berhida', 'Kondoros', 'Melykut', 'Jaszkiser', 'Csurgo', 'Csorvas', 'Nagyszenas', 'Ujkigyos', 'Tapioszentmarton', 'Tat', 'Egyek', 'Tiszaluc', 'Orbottyan', 'Rakoczifalva', 'Hosszupalyi', 'Paty', 'Elek', 'Vamospercs', 'Morahalom', 'Bugyi', 'Emod', 'Labatlan', 'Csakvar', 'Algyo', 'Kenderes', 'Csenger', 'Fonyod', 'Rakamaz', 'Martonvasar', 'Devecser', 'Orkeny', 'Tokaj', 'Tiszaalpar', 'Kemecse', 'Korosladany'] |
def read_file(test = True):
if test:
filename = '../tests/day1.txt'
else:
filename = '../input/day1.txt'
with open(filename) as file:
temp = list()
for line in file:
temp.append(line.strip())
return temp
def puzzle1():
temp = read_file(False)[0]
floor = 0
for char in temp:
if char == '(':
floor += 1
elif char == ')':
floor -= 1
else:
raise ValueError
print(floor)
def puzzle2():
temp = read_file(False)[0]
floor = 0
for i, char in enumerate(temp, start = 1):
if char == '(':
floor += 1
elif char == ')':
floor -= 1
else:
raise ValueError
if floor == -1:
break
print(i)
puzzle1()
puzzle2() | def read_file(test=True):
if test:
filename = '../tests/day1.txt'
else:
filename = '../input/day1.txt'
with open(filename) as file:
temp = list()
for line in file:
temp.append(line.strip())
return temp
def puzzle1():
temp = read_file(False)[0]
floor = 0
for char in temp:
if char == '(':
floor += 1
elif char == ')':
floor -= 1
else:
raise ValueError
print(floor)
def puzzle2():
temp = read_file(False)[0]
floor = 0
for (i, char) in enumerate(temp, start=1):
if char == '(':
floor += 1
elif char == ')':
floor -= 1
else:
raise ValueError
if floor == -1:
break
print(i)
puzzle1()
puzzle2() |
"""
The key is to use a set to remember if we seen the node or not.
Next, think about how we are going to *remove* the duplicate node?
The answer is to simply link the previous node to the next node.
So we need to keep a pointer `prev` on the previous node as we iterate the linked list.
So, the solution.
Create a set `seen`. #[1]
Point pointer `prev` on the first node. `cuur` on the second.
Now we iterate trough the linked list.
* For every node, we add its value to `seen`. Move `prev` and `curr` forward. #[2]
* If we seen the node, we *remove* the `curr` node. Then move the curr forward. #[3]
Return the `head`
"""
class Solution(object):
def deleteDuplicates(self, head):
if head is None or head.next is None: return head
prev = head
curr = head.next
seen = set() #[1]
seen.add(prev.val)
while curr:
if curr.val not in seen: #[2]
seen.add(curr.val)
curr = curr.next
prev = prev.next
else: #[3]
prev.next = curr.next #remove
curr = curr.next
return head
| """
The key is to use a set to remember if we seen the node or not.
Next, think about how we are going to *remove* the duplicate node?
The answer is to simply link the previous node to the next node.
So we need to keep a pointer `prev` on the previous node as we iterate the linked list.
So, the solution.
Create a set `seen`. #[1]
Point pointer `prev` on the first node. `cuur` on the second.
Now we iterate trough the linked list.
* For every node, we add its value to `seen`. Move `prev` and `curr` forward. #[2]
* If we seen the node, we *remove* the `curr` node. Then move the curr forward. #[3]
Return the `head`
"""
class Solution(object):
def delete_duplicates(self, head):
if head is None or head.next is None:
return head
prev = head
curr = head.next
seen = set()
seen.add(prev.val)
while curr:
if curr.val not in seen:
seen.add(curr.val)
curr = curr.next
prev = prev.next
else:
prev.next = curr.next
curr = curr.next
return head |
def firstDuplicate(a):
number_frequencies, number_indices, duplicate_index = {}, {}, {}
# Iterate through list and increment frequency count
# if number not in dict. Also, note the index asscoiated
# with the value
for i in range(len(a)):
if a[i] not in number_frequencies:
number_frequencies[a[i]] = 1
number_indices[a[i]] = i
elif a[i] in number_frequencies:
if number_frequencies[a[i]] < 2:
number_frequencies[a[i]] += 1
number_indices[a[i]] = i
for number in number_frequencies:
if number_frequencies[number] == 2:
duplicate_index[number] = number_indices[number]
if not duplicate_index:
return -1
else:
minimal_index_key = min(duplicate_index, key=duplicate_index.get)
return minimal_index_key
| def first_duplicate(a):
(number_frequencies, number_indices, duplicate_index) = ({}, {}, {})
for i in range(len(a)):
if a[i] not in number_frequencies:
number_frequencies[a[i]] = 1
number_indices[a[i]] = i
elif a[i] in number_frequencies:
if number_frequencies[a[i]] < 2:
number_frequencies[a[i]] += 1
number_indices[a[i]] = i
for number in number_frequencies:
if number_frequencies[number] == 2:
duplicate_index[number] = number_indices[number]
if not duplicate_index:
return -1
else:
minimal_index_key = min(duplicate_index, key=duplicate_index.get)
return minimal_index_key |
"""
CONFIGURATION FILE
This is being developed for the MF2C Project: http://www.mf2c-project.eu/
Copyright: Roi Sucasas Font, Atos Research and Innovation, 2017.
This code is licensed under an Apache 2.0 license. Please, refer to the LICENSE.TXT file for more information
Created on 18 oct. 2018
@author: Roi Sucasas - ATOS
"""
#!/usr/bin/python
dic = { "VERSION": "1.3.10",
# USER MANAGEMENT MODULE MODE: "DEFAULT", "MF2C" , "STANDALONE"
"UM_MODE": "MF2C",
# CIMI
"CIMI_URL": "http://cimi:8201/api",
"DEVICE_USER": "rsucasas",
# SERVER - REST API
"SERVER_PORT": 46300,
"HOST_IP": "localhost",
"API_DOC_URL": "/api/v2/um",
# working dir: "C://TMP/tmp/mf2c/um/" "/tmp/mf2c/um/"
"UM_WORKING_DIR_VOLUME": "/tmp/mf2c/um/",
# db
"DB_SHARING_MODEL": "dbt1",
"DB_USER_PROFILE": "dbt2",
# VERIFY_SSL controls whether we verify the server's TLS certificate or not
"VERIFY_SSL": False,
# for testing the interaction with the lifecycle management
"ENABLE_ASSESSMENT": True,
# CIMI RESOURCES managed by this component
"CIMI_PROFILES": "user-profile",
"CIMI_SHARING_MODELS": "sharing-model",
"SERVICE_CONSUMER": True,
"RESOURCE_CONTRIBUTOR": True,
"MAX_APPS": 2,
"BATTERY_LIMIT": 50,
"GPS_ALLOWED": True,
"MAX_CPU_USAGE": 50,
"MAX_MEM_USAGE": 50,
"MAX_STO_USAGE": 50,
"MAX_BANDWITH_USAGE": 50,
# URLs / ports from other components:
# LIFECYCLE
"URL_PM_LIFECYCLE": "http://lifecycle:46000/api/v2/lm"
}
# APPS RUNNING
APPS_RUNNING = 0 | """
CONFIGURATION FILE
This is being developed for the MF2C Project: http://www.mf2c-project.eu/
Copyright: Roi Sucasas Font, Atos Research and Innovation, 2017.
This code is licensed under an Apache 2.0 license. Please, refer to the LICENSE.TXT file for more information
Created on 18 oct. 2018
@author: Roi Sucasas - ATOS
"""
dic = {'VERSION': '1.3.10', 'UM_MODE': 'MF2C', 'CIMI_URL': 'http://cimi:8201/api', 'DEVICE_USER': 'rsucasas', 'SERVER_PORT': 46300, 'HOST_IP': 'localhost', 'API_DOC_URL': '/api/v2/um', 'UM_WORKING_DIR_VOLUME': '/tmp/mf2c/um/', 'DB_SHARING_MODEL': 'dbt1', 'DB_USER_PROFILE': 'dbt2', 'VERIFY_SSL': False, 'ENABLE_ASSESSMENT': True, 'CIMI_PROFILES': 'user-profile', 'CIMI_SHARING_MODELS': 'sharing-model', 'SERVICE_CONSUMER': True, 'RESOURCE_CONTRIBUTOR': True, 'MAX_APPS': 2, 'BATTERY_LIMIT': 50, 'GPS_ALLOWED': True, 'MAX_CPU_USAGE': 50, 'MAX_MEM_USAGE': 50, 'MAX_STO_USAGE': 50, 'MAX_BANDWITH_USAGE': 50, 'URL_PM_LIFECYCLE': 'http://lifecycle:46000/api/v2/lm'}
apps_running = 0 |
#
# PySNMP MIB module IANA-MALLOC-MIB (http://snmplabs.com/pysmi)
# ASN.1 source file:///Users/davwang4/Dev/mibs.snmplabs.com/asn1/IANA-MALLOC-MIB
# Produced by pysmi-0.3.4 at Wed May 1 13:50:25 2019
# On host DAVWANG4-M-1475 platform Darwin version 18.5.0 by user davwang4
# Using Python version 3.7.3 (default, Mar 27 2019, 09:23:15)
#
Integer, ObjectIdentifier, OctetString = mibBuilder.importSymbols("ASN1", "Integer", "ObjectIdentifier", "OctetString")
NamedValues, = mibBuilder.importSymbols("ASN1-ENUMERATION", "NamedValues")
ValueRangeConstraint, ConstraintsIntersection, SingleValueConstraint, ConstraintsUnion, ValueSizeConstraint = mibBuilder.importSymbols("ASN1-REFINEMENT", "ValueRangeConstraint", "ConstraintsIntersection", "SingleValueConstraint", "ConstraintsUnion", "ValueSizeConstraint")
ModuleCompliance, NotificationGroup = mibBuilder.importSymbols("SNMPv2-CONF", "ModuleCompliance", "NotificationGroup")
Integer32, iso, MibScalar, MibTable, MibTableRow, MibTableColumn, MibIdentifier, NotificationType, TimeTicks, mib_2, ObjectIdentity, Bits, Counter64, Gauge32, Unsigned32, ModuleIdentity, Counter32, IpAddress = mibBuilder.importSymbols("SNMPv2-SMI", "Integer32", "iso", "MibScalar", "MibTable", "MibTableRow", "MibTableColumn", "MibIdentifier", "NotificationType", "TimeTicks", "mib-2", "ObjectIdentity", "Bits", "Counter64", "Gauge32", "Unsigned32", "ModuleIdentity", "Counter32", "IpAddress")
DisplayString, TextualConvention = mibBuilder.importSymbols("SNMPv2-TC", "DisplayString", "TextualConvention")
ianaMallocMIB = ModuleIdentity((1, 3, 6, 1, 2, 1, 102))
ianaMallocMIB.setRevisions(('2014-05-22 00:00', '2003-01-27 12:00',))
if getattr(mibBuilder, 'version', (0, 0, 0)) > (4, 4, 0):
if mibBuilder.loadTexts: ianaMallocMIB.setRevisionsDescriptions(('Updated contact info.', 'Initial version.',))
if mibBuilder.loadTexts: ianaMallocMIB.setLastUpdated('201405220000Z')
if mibBuilder.loadTexts: ianaMallocMIB.setOrganization('IANA')
if mibBuilder.loadTexts: ianaMallocMIB.setContactInfo(' Internet Assigned Numbers Authority Internet Corporation for Assigned Names and Numbers 12025 Waterfront Drive, Suite 300 Los Angeles, CA 90094-2536 Phone: +1 310-301-5800 EMail: iana&iana.org')
if mibBuilder.loadTexts: ianaMallocMIB.setDescription('This MIB module defines the IANAscopeSource and IANAmallocRangeSource textual conventions for use in MIBs which need to identify ways of learning multicast scope and range information. Any additions or changes to the contents of this MIB module require either publication of an RFC, or Designated Expert Review as defined in the Guidelines for Writing IANA Considerations Section document. The Designated Expert will be selected by the IESG Area Director(s) of the Transport Area.')
class IANAscopeSource(TextualConvention, Integer32):
description = 'The source of multicast scope information.'
status = 'current'
subtypeSpec = Integer32.subtypeSpec + ConstraintsUnion(SingleValueConstraint(1, 2, 3, 4, 5))
namedValues = NamedValues(("other", 1), ("manual", 2), ("local", 3), ("mzap", 4), ("madcap", 5))
class IANAmallocRangeSource(TextualConvention, Integer32):
description = 'The source of multicast address allocation range information.'
status = 'current'
subtypeSpec = Integer32.subtypeSpec + ConstraintsUnion(SingleValueConstraint(1, 2, 3))
namedValues = NamedValues(("other", 1), ("manual", 2), ("local", 3))
mibBuilder.exportSymbols("IANA-MALLOC-MIB", IANAmallocRangeSource=IANAmallocRangeSource, IANAscopeSource=IANAscopeSource, ianaMallocMIB=ianaMallocMIB, PYSNMP_MODULE_ID=ianaMallocMIB)
| (integer, object_identifier, octet_string) = mibBuilder.importSymbols('ASN1', 'Integer', 'ObjectIdentifier', 'OctetString')
(named_values,) = mibBuilder.importSymbols('ASN1-ENUMERATION', 'NamedValues')
(value_range_constraint, constraints_intersection, single_value_constraint, constraints_union, value_size_constraint) = mibBuilder.importSymbols('ASN1-REFINEMENT', 'ValueRangeConstraint', 'ConstraintsIntersection', 'SingleValueConstraint', 'ConstraintsUnion', 'ValueSizeConstraint')
(module_compliance, notification_group) = mibBuilder.importSymbols('SNMPv2-CONF', 'ModuleCompliance', 'NotificationGroup')
(integer32, iso, mib_scalar, mib_table, mib_table_row, mib_table_column, mib_identifier, notification_type, time_ticks, mib_2, object_identity, bits, counter64, gauge32, unsigned32, module_identity, counter32, ip_address) = mibBuilder.importSymbols('SNMPv2-SMI', 'Integer32', 'iso', 'MibScalar', 'MibTable', 'MibTableRow', 'MibTableColumn', 'MibIdentifier', 'NotificationType', 'TimeTicks', 'mib-2', 'ObjectIdentity', 'Bits', 'Counter64', 'Gauge32', 'Unsigned32', 'ModuleIdentity', 'Counter32', 'IpAddress')
(display_string, textual_convention) = mibBuilder.importSymbols('SNMPv2-TC', 'DisplayString', 'TextualConvention')
iana_malloc_mib = module_identity((1, 3, 6, 1, 2, 1, 102))
ianaMallocMIB.setRevisions(('2014-05-22 00:00', '2003-01-27 12:00'))
if getattr(mibBuilder, 'version', (0, 0, 0)) > (4, 4, 0):
if mibBuilder.loadTexts:
ianaMallocMIB.setRevisionsDescriptions(('Updated contact info.', 'Initial version.'))
if mibBuilder.loadTexts:
ianaMallocMIB.setLastUpdated('201405220000Z')
if mibBuilder.loadTexts:
ianaMallocMIB.setOrganization('IANA')
if mibBuilder.loadTexts:
ianaMallocMIB.setContactInfo(' Internet Assigned Numbers Authority Internet Corporation for Assigned Names and Numbers 12025 Waterfront Drive, Suite 300 Los Angeles, CA 90094-2536 Phone: +1 310-301-5800 EMail: iana&iana.org')
if mibBuilder.loadTexts:
ianaMallocMIB.setDescription('This MIB module defines the IANAscopeSource and IANAmallocRangeSource textual conventions for use in MIBs which need to identify ways of learning multicast scope and range information. Any additions or changes to the contents of this MIB module require either publication of an RFC, or Designated Expert Review as defined in the Guidelines for Writing IANA Considerations Section document. The Designated Expert will be selected by the IESG Area Director(s) of the Transport Area.')
class Ianascopesource(TextualConvention, Integer32):
description = 'The source of multicast scope information.'
status = 'current'
subtype_spec = Integer32.subtypeSpec + constraints_union(single_value_constraint(1, 2, 3, 4, 5))
named_values = named_values(('other', 1), ('manual', 2), ('local', 3), ('mzap', 4), ('madcap', 5))
class Ianamallocrangesource(TextualConvention, Integer32):
description = 'The source of multicast address allocation range information.'
status = 'current'
subtype_spec = Integer32.subtypeSpec + constraints_union(single_value_constraint(1, 2, 3))
named_values = named_values(('other', 1), ('manual', 2), ('local', 3))
mibBuilder.exportSymbols('IANA-MALLOC-MIB', IANAmallocRangeSource=IANAmallocRangeSource, IANAscopeSource=IANAscopeSource, ianaMallocMIB=ianaMallocMIB, PYSNMP_MODULE_ID=ianaMallocMIB) |
"""
1208. Get Equal Substrings Within Budget
Straight forward. Asked the max len, so count the max each time.
"""
class Solution:
def equalSubstring(self, s: str, t: str, maxCost: int) -> int:
cost = 0
window_start = 0
result = 0
for window_end in range(len(s)):
cost += abs(ord(s[window_end]) - ord(t[window_end]))
if cost > maxCost:
cost -= abs(ord(s[window_start]) - ord(t[window_start]))
window_start += 1
result = max(result, window_end - window_start+1)
return result | """
1208. Get Equal Substrings Within Budget
Straight forward. Asked the max len, so count the max each time.
"""
class Solution:
def equal_substring(self, s: str, t: str, maxCost: int) -> int:
cost = 0
window_start = 0
result = 0
for window_end in range(len(s)):
cost += abs(ord(s[window_end]) - ord(t[window_end]))
if cost > maxCost:
cost -= abs(ord(s[window_start]) - ord(t[window_start]))
window_start += 1
result = max(result, window_end - window_start + 1)
return result |
# -*- coding: utf-8 -*-
##############################################################################
#
# OpenERP, Open Source Management Solution
# Copyright (C) 2011 OpenERP s.a. (<http://openerp.com>).
#
# This program is free software: you can redistribute it and/or modify
# it under the terms of the GNU Affero General Public License as
# published by the Free Software Foundation, either version 3 of the
# License, or (at your option) any later version.
#
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU Affero General Public License for more details.
#
# You should have received a copy of the GNU Affero General Public License
# along with this program. If not, see <http://www.gnu.org/licenses/>.
#
##############################################################################
""" OpenERP core exceptions.
This module defines a few exception types. Those types are understood by the
RPC layer. Any other exception type bubbling until the RPC layer will be
treated as a 'Server error'.
"""
class Warning(Exception):
pass
class AccessDenied(Exception):
""" Login/password error. No message, no traceback. """
def __init__(self):
super(AccessDenied, self).__init__('Access denied.')
self.traceback = ('', '', '')
class AccessError(Exception):
""" Access rights error. """
class DeferredException(Exception):
""" Exception object holding a traceback for asynchronous reporting.
Some RPC calls (database creation and report generation) happen with
an initial request followed by multiple, polling requests. This class
is used to store the possible exception occuring in the thread serving
the first request, and is then sent to a polling request.
('Traceback' is misleading, this is really a exc_info() triple.)
"""
def __init__(self, msg, tb):
self.message = msg
self.traceback = tb
# vim:expandtab:smartindent:tabstop=4:softtabstop=4:shiftwidth=4:
| """ OpenERP core exceptions.
This module defines a few exception types. Those types are understood by the
RPC layer. Any other exception type bubbling until the RPC layer will be
treated as a 'Server error'.
"""
class Warning(Exception):
pass
class Accessdenied(Exception):
""" Login/password error. No message, no traceback. """
def __init__(self):
super(AccessDenied, self).__init__('Access denied.')
self.traceback = ('', '', '')
class Accesserror(Exception):
""" Access rights error. """
class Deferredexception(Exception):
""" Exception object holding a traceback for asynchronous reporting.
Some RPC calls (database creation and report generation) happen with
an initial request followed by multiple, polling requests. This class
is used to store the possible exception occuring in the thread serving
the first request, and is then sent to a polling request.
('Traceback' is misleading, this is really a exc_info() triple.)
"""
def __init__(self, msg, tb):
self.message = msg
self.traceback = tb |
class File:
@staticmethod
def tail(self, file_path, lines=10):
with open(file_path, 'rb') as f:
total_lines_wanted = lines
block_size = 1024
f.seek(0, 2)
block_end_byte = f.tell()
lines_to_go = total_lines_wanted
block_number = -1
blocks = []
while lines_to_go > 0 and block_end_byte > 0:
if block_end_byte - block_size > 0:
f.seek(block_number * block_size, 2)
block = f.read(block_size)
else:
f.seek(0, 0)
block = f.read(block_end_byte)
lines_found = block.count(b'\n')
lines_to_go -= lines_found
block_end_byte -= block_size
block_number -= 1
blocks.append(block)
all_read_text = b''.join(blocks)
lines_found = all_read_text.count(b'\n')
if lines_found > total_lines_wanted:
return all_read_text.split(b'\n')[-total_lines_wanted:][:-1]
else:
return all_read_text.split(b'\n')[-lines_found:] | class File:
@staticmethod
def tail(self, file_path, lines=10):
with open(file_path, 'rb') as f:
total_lines_wanted = lines
block_size = 1024
f.seek(0, 2)
block_end_byte = f.tell()
lines_to_go = total_lines_wanted
block_number = -1
blocks = []
while lines_to_go > 0 and block_end_byte > 0:
if block_end_byte - block_size > 0:
f.seek(block_number * block_size, 2)
block = f.read(block_size)
else:
f.seek(0, 0)
block = f.read(block_end_byte)
lines_found = block.count(b'\n')
lines_to_go -= lines_found
block_end_byte -= block_size
block_number -= 1
blocks.append(block)
all_read_text = b''.join(blocks)
lines_found = all_read_text.count(b'\n')
if lines_found > total_lines_wanted:
return all_read_text.split(b'\n')[-total_lines_wanted:][:-1]
else:
return all_read_text.split(b'\n')[-lines_found:] |
"""Reverse stack is using a list where the top is at the beginning instead of at the end."""
class Reverse_Stack:
def __init__(self):
self.items = []
def is_empty(self): # test to see whether the stack is empty.
return self.items == []
def push(self, item): # adds a new item to the base of the stack.
self.items.insert(0, item)
def pop(self): # removes the base item from the stack.
return self.items.pop(0)
def peek(self): # return the base item from the stack.
return self.items[0]
def size(self): # returns the number of items on the stack.
return len(self.items)
s = Reverse_Stack()
print(s.is_empty())
s.push(4)
s.push("Dog")
print(s.peek())
s.push("Cat")
print(s.size())
print(s.is_empty())
s.pop()
print(s.peek())
print(s.size())
| """Reverse stack is using a list where the top is at the beginning instead of at the end."""
class Reverse_Stack:
def __init__(self):
self.items = []
def is_empty(self):
return self.items == []
def push(self, item):
self.items.insert(0, item)
def pop(self):
return self.items.pop(0)
def peek(self):
return self.items[0]
def size(self):
return len(self.items)
s = reverse__stack()
print(s.is_empty())
s.push(4)
s.push('Dog')
print(s.peek())
s.push('Cat')
print(s.size())
print(s.is_empty())
s.pop()
print(s.peek())
print(s.size()) |
class Solution:
def isStrobogrammatic(self, num: str) -> bool:
strobogrammatic = {
'1': '1',
'0': '0',
'6': '9',
'9': '6',
'8': '8'
}
for idx, digit in enumerate(num):
if digit not in strobogrammatic or strobogrammatic[digit] != num[len(num) - idx -1]:
return False
return True
| class Solution:
def is_strobogrammatic(self, num: str) -> bool:
strobogrammatic = {'1': '1', '0': '0', '6': '9', '9': '6', '8': '8'}
for (idx, digit) in enumerate(num):
if digit not in strobogrammatic or strobogrammatic[digit] != num[len(num) - idx - 1]:
return False
return True |
class Solution(object):
def dfs(self,stones,graph,curpos,lastjump):
if curpos==stones[-1]:
return True
# since the jump need based on lastjump
# only forward,get rid of the stay at the same pos
rstart=max(curpos+lastjump-1,curpos+1)
rend=min(curpos+lastjump+1,stones[-1])+1
for nextpos in xrange(rstart,rend):
if nextpos in graph and self.dfs(stones,graph,nextpos,nextpos-curpos):
return True
return False
def canCross(self, stones):
"""
:type stones: List[int]
:rtype: bool
"""
if not stones:
return True
if stones[1]!=1:
return False
graph={val:idx for idx,val in enumerate(stones)}
return self.dfs(stones,graph,1,1)
| class Solution(object):
def dfs(self, stones, graph, curpos, lastjump):
if curpos == stones[-1]:
return True
rstart = max(curpos + lastjump - 1, curpos + 1)
rend = min(curpos + lastjump + 1, stones[-1]) + 1
for nextpos in xrange(rstart, rend):
if nextpos in graph and self.dfs(stones, graph, nextpos, nextpos - curpos):
return True
return False
def can_cross(self, stones):
"""
:type stones: List[int]
:rtype: bool
"""
if not stones:
return True
if stones[1] != 1:
return False
graph = {val: idx for (idx, val) in enumerate(stones)}
return self.dfs(stones, graph, 1, 1) |
def check_candidate(a, candidate, callback_when_different, *args, **kwargs):
control_result = None
candidate_result = None
control_exception = None
candidate_exception = None
reason = None
try:
control_result = a(*args, **kwargs)
except BaseException as e:
control_exception = e
try:
candidate_result = candidate(*args, **kwargs)
if control_exception is not None:
reason = 'old code raised, new did not'
elif control_result != candidate_result:
reason = 'different results'
except BaseException as e:
candidate_exception = e
if control_exception is None:
reason = 'new code raised, old did not'
else:
if type(control_exception) != type(candidate_exception):
reason = 'new and old both raised exception, but different types'
elif control_exception.args != candidate_exception.args:
reason = 'new and old both raised exception, but with different data'
if reason is not None:
callback_when_different(
control_result=control_result,
candidate_result=candidate_result,
control_exception=control_exception,
candidate_exception=candidate_exception,
reason=reason,
)
if control_exception is not None:
raise control_exception
return control_result
| def check_candidate(a, candidate, callback_when_different, *args, **kwargs):
control_result = None
candidate_result = None
control_exception = None
candidate_exception = None
reason = None
try:
control_result = a(*args, **kwargs)
except BaseException as e:
control_exception = e
try:
candidate_result = candidate(*args, **kwargs)
if control_exception is not None:
reason = 'old code raised, new did not'
elif control_result != candidate_result:
reason = 'different results'
except BaseException as e:
candidate_exception = e
if control_exception is None:
reason = 'new code raised, old did not'
elif type(control_exception) != type(candidate_exception):
reason = 'new and old both raised exception, but different types'
elif control_exception.args != candidate_exception.args:
reason = 'new and old both raised exception, but with different data'
if reason is not None:
callback_when_different(control_result=control_result, candidate_result=candidate_result, control_exception=control_exception, candidate_exception=candidate_exception, reason=reason)
if control_exception is not None:
raise control_exception
return control_result |
n = int(input()) % 8
if n == 0:
print(2)
elif n <= 5:
print(n)
else:
print(10 - n)
| n = int(input()) % 8
if n == 0:
print(2)
elif n <= 5:
print(n)
else:
print(10 - n) |
"""
A fixed-capacity queue implemented as circular queue.
Queue can become full.
* enqueue is O(1)
* dequeue is O(1)
"""
class Queue:
"""
Implementation of a Queue using a circular buffer.
"""
def __init__(self, size):
self.size = size
self.storage = [None] * size
self.first = 0
self.last = 0
self.N = 0
def is_empty(self):
"""
Determine if queue is empty.
"""
return self.N == 0
def is_full(self):
"""
Determine if queue is full.
"""
return self.N == self.size
def enqueue(self, item):
"""
Enqueue new item to end of queue.
"""
if self.is_full():
raise RuntimeError('Queue is full')
self.storage[self.last] = item
self.N += 1
self.last = (self.last + 1) % self.size
def dequeue(self):
"""
Remove and return first item from queue.
"""
if self.is_empty():
raise RuntimeError('Queue is empty')
val = self.storage[self.first]
self.N -= 1
self.first = (self.first + 1) % self.size
return val
| """
A fixed-capacity queue implemented as circular queue.
Queue can become full.
* enqueue is O(1)
* dequeue is O(1)
"""
class Queue:
"""
Implementation of a Queue using a circular buffer.
"""
def __init__(self, size):
self.size = size
self.storage = [None] * size
self.first = 0
self.last = 0
self.N = 0
def is_empty(self):
"""
Determine if queue is empty.
"""
return self.N == 0
def is_full(self):
"""
Determine if queue is full.
"""
return self.N == self.size
def enqueue(self, item):
"""
Enqueue new item to end of queue.
"""
if self.is_full():
raise runtime_error('Queue is full')
self.storage[self.last] = item
self.N += 1
self.last = (self.last + 1) % self.size
def dequeue(self):
"""
Remove and return first item from queue.
"""
if self.is_empty():
raise runtime_error('Queue is empty')
val = self.storage[self.first]
self.N -= 1
self.first = (self.first + 1) % self.size
return val |
"""
A simple script for numbering nUp tickets for the print shop.
"""
def numbering_main() -> None:
"""
Gets numbering sequences for nUp ticket numbering.
Gets the total number of tickets requested along with now many will fit on a
sheet (n_up) as well as the starting ticket number and prints the ticket
number groupings to the console.
"""
print('[ Ticket Numbering Assist ]'.center(40))
# Get ticket, sheet and numbering info
total_requested = int(input('\n How many tickets do you need in total?: '))
n_up = int(input(' How many tickets will fit on a sheet?: '))
starting_number = int(input(' What number should we start with?: '))
# Do math & round up if needed
total_sheets = total_requested // n_up
final_tickets = total_requested
if total_requested % n_up > 0:
total_sheets += 1
final_tickets = total_sheets * n_up
# Print totals to the console
print('\n Final totals...')
print(f' Total tickets Printed: {final_tickets}')
print(f' Tickets per sheet: {n_up}')
print(f' Total Sheets needed: {total_sheets}\n')
print(' Here are your numbers...\n')
# Get ending ticket number and set initial display number
ending_number = starting_number + total_sheets - 1
display_number = 1
# Display to console
for i in range(n_up):
print(
f' #{display_number:2}: Starting Number - {starting_number:4} | Ending Number - {ending_number:4}')
starting_number = ending_number + 1
ending_number = starting_number + total_sheets - 1
display_number += 1
input('\n Press ENTER to return...')
if __name__ == '__main__':
numbering_main()
| """
A simple script for numbering nUp tickets for the print shop.
"""
def numbering_main() -> None:
"""
Gets numbering sequences for nUp ticket numbering.
Gets the total number of tickets requested along with now many will fit on a
sheet (n_up) as well as the starting ticket number and prints the ticket
number groupings to the console.
"""
print('[ Ticket Numbering Assist ]'.center(40))
total_requested = int(input('\n How many tickets do you need in total?: '))
n_up = int(input(' How many tickets will fit on a sheet?: '))
starting_number = int(input(' What number should we start with?: '))
total_sheets = total_requested // n_up
final_tickets = total_requested
if total_requested % n_up > 0:
total_sheets += 1
final_tickets = total_sheets * n_up
print('\n Final totals...')
print(f' Total tickets Printed: {final_tickets}')
print(f' Tickets per sheet: {n_up}')
print(f' Total Sheets needed: {total_sheets}\n')
print(' Here are your numbers...\n')
ending_number = starting_number + total_sheets - 1
display_number = 1
for i in range(n_up):
print(f' #{display_number:2}: Starting Number - {starting_number:4} | Ending Number - {ending_number:4}')
starting_number = ending_number + 1
ending_number = starting_number + total_sheets - 1
display_number += 1
input('\n Press ENTER to return...')
if __name__ == '__main__':
numbering_main() |
def arg_to_step(arg):
if isinstance(arg, str):
return {'run': arg}
else:
return dict(zip(['run', 'parameters', 'cache'], arg))
def steps(*args):
return [arg_to_step(arg) for arg in args]
| def arg_to_step(arg):
if isinstance(arg, str):
return {'run': arg}
else:
return dict(zip(['run', 'parameters', 'cache'], arg))
def steps(*args):
return [arg_to_step(arg) for arg in args] |
#inputFile = 'sand.407'
inputFile = 'sand.407'
outputFile= 'sand.out'
def joinLine():
pass
with open(inputFile) as OF:
lines = OF.readlines()
print(lines[0:3])
| input_file = 'sand.407'
output_file = 'sand.out'
def join_line():
pass
with open(inputFile) as of:
lines = OF.readlines()
print(lines[0:3]) |
class MergeSort:
def __init__(self, lst):
self.lst = lst
def mergeSort(self, a):
midPoint = len(a) // 2
if a[len(a) - 1] < a[0]:
left = self.mergeSort(a[:midPoint])
right = self.mergeSort(a[midPoint:])
return self.merge(left, right)
else:
return a
def merge(self, left, right):
output = list()
leftCount, rightCount = 0, 0
while leftCount < len(left) or rightCount < len(right):
if leftCount < len(left) and rightCount < len(right):
if left[leftCount] < right[rightCount]:
output.append(left[leftCount])
leftCount += 1
else:
output.append(right[rightCount])
rightCount += 1
if leftCount == len(left) and rightCount < right(right):
output.append(right[rightCount])
rightCount += 1
elif leftCount < len(left) and rightCount == len(right):
output.append(left[leftCount])
leftCount += 1
return output
def sort(self):
temp = self.mergeSort(self.lst)
self.lst = temp
def show(self):
return self.lst
if __name__ == "__main__":
i = MergeSort([5, 4, 3, 2, 1])
i.sort()
print(i.show())
| class Mergesort:
def __init__(self, lst):
self.lst = lst
def merge_sort(self, a):
mid_point = len(a) // 2
if a[len(a) - 1] < a[0]:
left = self.mergeSort(a[:midPoint])
right = self.mergeSort(a[midPoint:])
return self.merge(left, right)
else:
return a
def merge(self, left, right):
output = list()
(left_count, right_count) = (0, 0)
while leftCount < len(left) or rightCount < len(right):
if leftCount < len(left) and rightCount < len(right):
if left[leftCount] < right[rightCount]:
output.append(left[leftCount])
left_count += 1
else:
output.append(right[rightCount])
right_count += 1
if leftCount == len(left) and rightCount < right(right):
output.append(right[rightCount])
right_count += 1
elif leftCount < len(left) and rightCount == len(right):
output.append(left[leftCount])
left_count += 1
return output
def sort(self):
temp = self.mergeSort(self.lst)
self.lst = temp
def show(self):
return self.lst
if __name__ == '__main__':
i = merge_sort([5, 4, 3, 2, 1])
i.sort()
print(i.show()) |
'''
There are two sorted arrays nums1 and nums2 of size m and n respectively.
Find the median of the two sorted arrays. The overall run time complexity should be O(log (m+n)).
You may assume nums1 and nums2 cannot be both empty.
'''
### Nature: the meaning of MEDIAN, is that, the number of elements less than it,
### is equal to that is more than it.
### len(left) == len(right)
### It is NOT important that if these two parts are sorted.
## Time: O(log(min(m, n))), Space: O(1) --> we need fixed number of variables
# Iterative approach
# Central logics: there exists i, j where i+j = (m+n+1) // 2 AND
# A[i-1] (leftmax of A) < B[j] (rightmin of B) AND B[j-1] < A[i]
# (in general, all left <= all right)
def findMedianSortedArrays(nums1, nums2):
m, n = len(nums1), len(nums2)
# To ensure j will not be negative
if m > n:
m, n = n, m
nums1, nums2 = nums2, nums1
# (m+n+1) plus 1 makes sure i & j are the minimums of the right part, AND
# that j-1 (which is left max) will not be negative
imin, imax, half = 0, m, (m+n+1) / 2
while imin <= imax: # This will directly handle edge cases like len(A) == 0 etc
i = (imin+imax) / 2
j = half - i
# case one: i hasn't exceeded array 1 and is too small
if i < m and nums2[j-1] > nums1[i]:
imin = i+1
# case two: i-1 hasn't exceeded the smallest and i is too big
elif i > 0 and nums1[i-1] > nums2[j]:
imax = i-1
# case three: i is perfect
else:
# edge case 1:
# all nums in nums1 is bigger than nums2
if i == 0:
max_of_left = nums2[j-1] # j-1 >= 0 is ensured
# edge case 2:
# the opposite, AND m==n or m=n-1
elif j == 0:
max_of_left = nums1[m-1]
# general case:
else:
max_of_left = max(nums1[i-1], nums2[j-1])
if (m+n) % 2 == 1:
return max_of_left
# edge case: when A[i] would be out of index bound
if i == m:
min_of_right = nums2[j]
# edge case: when B[j] would be out of index bound
elif j == n:
min_of_right = nums1[i]
else:
min_of_right = min(nums1[i], nums2[j])
return (max_of_left + min_of_right) / 2.0
| """
There are two sorted arrays nums1 and nums2 of size m and n respectively.
Find the median of the two sorted arrays. The overall run time complexity should be O(log (m+n)).
You may assume nums1 and nums2 cannot be both empty.
"""
def find_median_sorted_arrays(nums1, nums2):
(m, n) = (len(nums1), len(nums2))
if m > n:
(m, n) = (n, m)
(nums1, nums2) = (nums2, nums1)
(imin, imax, half) = (0, m, (m + n + 1) / 2)
while imin <= imax:
i = (imin + imax) / 2
j = half - i
if i < m and nums2[j - 1] > nums1[i]:
imin = i + 1
elif i > 0 and nums1[i - 1] > nums2[j]:
imax = i - 1
else:
if i == 0:
max_of_left = nums2[j - 1]
elif j == 0:
max_of_left = nums1[m - 1]
else:
max_of_left = max(nums1[i - 1], nums2[j - 1])
if (m + n) % 2 == 1:
return max_of_left
if i == m:
min_of_right = nums2[j]
elif j == n:
min_of_right = nums1[i]
else:
min_of_right = min(nums1[i], nums2[j])
return (max_of_left + min_of_right) / 2.0 |
# Copyright 2019 The SQLNet Company GmbH
# Permission is hereby granted, free of charge, to any person obtaining a copy
# of this software and associated documentation files (the "Software"), to
# deal in the Software without restriction, including without limitation the
# rights to use, copy, modify, merge, publish, distribute, sublicense, and/or
# sell copies of the Software, and to permit persons to whom the Software is
# furnished to do so, subject to the following conditions:
# The above copyright notice and this permission notice shall be included in
# all copies or substantial portions of the Software.
# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
# AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING
# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
# DEALINGS IN THE SOFTWARE.
"""
This module contains the loss functions for the getml library.
"""
# ------------------------------------------------------------------------------
class _LossFunction(object):
"""
Base class. Should not ever be directly initialized!
"""
def __init__(self):
self.thisptr = dict()
self.thisptr["type_"] = "none"
# ------------------------------------------------------------------------------
class CrossEntropyLoss(_LossFunction):
"""
Cross entropy function.
Recommended loss function for classification problems.
"""
def __init__(self):
super(CrossEntropyLoss, self).__init__()
self.thisptr["type_"] = "CrossEntropyLoss"
# ------------------------------------------------------------------------------
class SquareLoss(_LossFunction):
"""
Square loss function.
Recommended loss function for regression problems.
"""
def __init__(self):
super(SquareLoss, self).__init__()
self.thisptr["type_"] = "SquareLoss"
# ------------------------------------------------------------------------------
| """
This module contains the loss functions for the getml library.
"""
class _Lossfunction(object):
"""
Base class. Should not ever be directly initialized!
"""
def __init__(self):
self.thisptr = dict()
self.thisptr['type_'] = 'none'
class Crossentropyloss(_LossFunction):
"""
Cross entropy function.
Recommended loss function for classification problems.
"""
def __init__(self):
super(CrossEntropyLoss, self).__init__()
self.thisptr['type_'] = 'CrossEntropyLoss'
class Squareloss(_LossFunction):
"""
Square loss function.
Recommended loss function for regression problems.
"""
def __init__(self):
super(SquareLoss, self).__init__()
self.thisptr['type_'] = 'SquareLoss' |
def container_image_is_external(biocontainers, app):
"""
Return a boolean: is this container going to be run
using an external URL (quay.io/biocontainers),
or is it going to use a local, named Docker image?
"""
d = biocontainers[app]
if (('use_local' in d) and (d['use_local'] is True)):
# This container does not use an external url
return False
else:
# This container uses a quay.io url
return True
def container_image_name(biocontainers, app):
"""
Get the name of a container image for app,
using params dictionary biocontainers.
Verification:
- Check that the user provides 'local' if 'use_local' is True
- Check that the user provides both 'quayurl' and 'version'
"""
if container_image_is_external(biocontainers,app):
try:
qurl = biocontainers[k]['quayurl']
qvers = biocontainers[k]['version']
quayurls.append(qurl + ":" + qvers)
return quayurls
except KeyError:
err = "Error: quay.io URL for %s biocontainer "%(k)
err += "could not be determined"
raise Exception(err)
else:
try:
return biocontainers[app]['local']
except KeyError:
err = "Error: the parameters provided specify a local "
err += "container image should be used for %s, but none "%(app)
err += "was specified using the 'local' key."
raise Exception(err)
| def container_image_is_external(biocontainers, app):
"""
Return a boolean: is this container going to be run
using an external URL (quay.io/biocontainers),
or is it going to use a local, named Docker image?
"""
d = biocontainers[app]
if 'use_local' in d and d['use_local'] is True:
return False
else:
return True
def container_image_name(biocontainers, app):
"""
Get the name of a container image for app,
using params dictionary biocontainers.
Verification:
- Check that the user provides 'local' if 'use_local' is True
- Check that the user provides both 'quayurl' and 'version'
"""
if container_image_is_external(biocontainers, app):
try:
qurl = biocontainers[k]['quayurl']
qvers = biocontainers[k]['version']
quayurls.append(qurl + ':' + qvers)
return quayurls
except KeyError:
err = 'Error: quay.io URL for %s biocontainer ' % k
err += 'could not be determined'
raise exception(err)
else:
try:
return biocontainers[app]['local']
except KeyError:
err = 'Error: the parameters provided specify a local '
err += 'container image should be used for %s, but none ' % app
err += "was specified using the 'local' key."
raise exception(err) |
# Definition for a binary tree node.
# class TreeNode:
# def __init__(self, x):
# self.val = x
# self.left = None
# self.right = None
class Solution:
def hasPathSum(self, root: 'TreeNode', sum: 'int') -> 'bool':
if not root:
return False
def helper(node,val):
if not node:
return False
val -= node.val
if node.left is None and node.right is None:
return val == 0
return helper(node.left, val) or helper(node.right, val)
return helper(root,sum)
| class Solution:
def has_path_sum(self, root: 'TreeNode', sum: 'int') -> 'bool':
if not root:
return False
def helper(node, val):
if not node:
return False
val -= node.val
if node.left is None and node.right is None:
return val == 0
return helper(node.left, val) or helper(node.right, val)
return helper(root, sum) |
"""
quant_test
~~~~~~
The quant_test package - a Python package template project that is intended
to be used as a cookie-cutter for developing new Python packages.
"""
| """
quant_test
~~~~~~
The quant_test package - a Python package template project that is intended
to be used as a cookie-cutter for developing new Python packages.
""" |
class Solution:
def maxArea(self, ls):
n = len(ls) - 1
v, left, right = [], 0, n
while 0 <= left < right <= n:
h = min(ls[left], ls[right])
v += [h * (right - left)]
while ls[left] <= h and left < right:
left += 1
while ls[right] <= h and left < right:
right -= 1
return max(v)
| class Solution:
def max_area(self, ls):
n = len(ls) - 1
(v, left, right) = ([], 0, n)
while 0 <= left < right <= n:
h = min(ls[left], ls[right])
v += [h * (right - left)]
while ls[left] <= h and left < right:
left += 1
while ls[right] <= h and left < right:
right -= 1
return max(v) |
def _check_stamping_format(f):
if f.startswith("{") and f.endswith("}"):
return True
return False
def _resolve_stamp(ctx, string, output):
stamps = [ctx.info_file, ctx.version_file]
args = ctx.actions.args()
args.add_all(stamps, format_each = "--stamp-info-file=%s")
args.add(string, format = "--format=%s")
args.add(output, format = "--output=%s")
ctx.actions.run(
executable = ctx.executable._stamper,
arguments = [args],
inputs = stamps,
tools = [ctx.executable._stamper],
outputs = [output],
mnemonic = "Stamp",
)
utils = struct(
resolve_stamp = _resolve_stamp,
check_stamping_format = _check_stamping_format,
)
| def _check_stamping_format(f):
if f.startswith('{') and f.endswith('}'):
return True
return False
def _resolve_stamp(ctx, string, output):
stamps = [ctx.info_file, ctx.version_file]
args = ctx.actions.args()
args.add_all(stamps, format_each='--stamp-info-file=%s')
args.add(string, format='--format=%s')
args.add(output, format='--output=%s')
ctx.actions.run(executable=ctx.executable._stamper, arguments=[args], inputs=stamps, tools=[ctx.executable._stamper], outputs=[output], mnemonic='Stamp')
utils = struct(resolve_stamp=_resolve_stamp, check_stamping_format=_check_stamping_format) |
__author__ = "Rob MacKinnon <rome@villagertech.com>"
__package__ = "DOMObjects"
__name__ = "DOMObjects.schema"
__license__ = "MIT"
class DOMSchema(object):
""" @abstract Structure object for creating more advanced DOM trees
@params children [dict] Default structure of children
@params dictgroups [dict] Default structure of dictgroups
@params props [dict] Default structure of properties
@example Sample object
_schema = DOMSchema()
_schema.children=
_settings_schema.children = {
"sip": {},
"schedules": {},
"favorites": {
"dictgroups": ["sip", "http"]
}
}
"""
def __init__(self,
children: dict = {},
dictgroups: dict = {},
props: dict = {}):
""" @abstract Object initializer and bootstraps first object.
@params children [dict] Default structure of children
@params dictgroups [dict] Default structure of dictgroups
@params props [dict] Default structure of properties
@returns [DOMSchema] object
"""
self.dictgroups = dictgroups
self.children = children
self.props = props
@property
def keys(self) -> list:
""" @abstract Returns all top-level keys in schema
@returns [list] of keys
"""
_keys = list()
_keys.extend(self.children.keys())
_keys.extend(self.dictgroups.keys())
_keys.extend(self.props.keys())
return _keys
| __author__ = 'Rob MacKinnon <rome@villagertech.com>'
__package__ = 'DOMObjects'
__name__ = 'DOMObjects.schema'
__license__ = 'MIT'
class Domschema(object):
""" @abstract Structure object for creating more advanced DOM trees
@params children [dict] Default structure of children
@params dictgroups [dict] Default structure of dictgroups
@params props [dict] Default structure of properties
@example Sample object
_schema = DOMSchema()
_schema.children=
_settings_schema.children = {
"sip": {},
"schedules": {},
"favorites": {
"dictgroups": ["sip", "http"]
}
}
"""
def __init__(self, children: dict={}, dictgroups: dict={}, props: dict={}):
""" @abstract Object initializer and bootstraps first object.
@params children [dict] Default structure of children
@params dictgroups [dict] Default structure of dictgroups
@params props [dict] Default structure of properties
@returns [DOMSchema] object
"""
self.dictgroups = dictgroups
self.children = children
self.props = props
@property
def keys(self) -> list:
""" @abstract Returns all top-level keys in schema
@returns [list] of keys
"""
_keys = list()
_keys.extend(self.children.keys())
_keys.extend(self.dictgroups.keys())
_keys.extend(self.props.keys())
return _keys |
"""
1375. Substring With At Least K Distinct Characters
"""
class Solution:
"""
@param s: a string
@param k: an integer
@return: the number of substrings there are that contain at least k distinct characters
"""
def kDistinctCharacters(self, s, k):
# Write your code here
n = len(s)
left = 0
count = [0] * 256
distinct_count = 0
substring_count = 0
for right in range(n):
count[ord(s[right])] += 1
if count[ord(s[right])] == 1:
distinct_count += 1
while left <= right and distinct_count >= k:
substring_count += n - right
count[ord(s[left])] -= 1
if count[ord(s[left])] == 0:
distinct_count -= 1
left += 1
return substring_count
| """
1375. Substring With At Least K Distinct Characters
"""
class Solution:
"""
@param s: a string
@param k: an integer
@return: the number of substrings there are that contain at least k distinct characters
"""
def k_distinct_characters(self, s, k):
n = len(s)
left = 0
count = [0] * 256
distinct_count = 0
substring_count = 0
for right in range(n):
count[ord(s[right])] += 1
if count[ord(s[right])] == 1:
distinct_count += 1
while left <= right and distinct_count >= k:
substring_count += n - right
count[ord(s[left])] -= 1
if count[ord(s[left])] == 0:
distinct_count -= 1
left += 1
return substring_count |
def extract_stack_from_seat_line(seat_line: str) -> float or None:
# Seat 3: PokerPete24 (40518.00)
if 'will be allowed to play after the button' in seat_line:
return None
return float(seat_line.split(' (')[1].split(')')[0])
| def extract_stack_from_seat_line(seat_line: str) -> float or None:
if 'will be allowed to play after the button' in seat_line:
return None
return float(seat_line.split(' (')[1].split(')')[0]) |
def infer_from_clause(table_names, graph, columns):
tables = list(table_names.keys())
if len(tables) == 1: # no JOINS needed - just return the simple "FROM" clause.
return f"FROM {tables[0]} "
else: # we have to deal with multiple tables - and find the shortest path between them
join_clauses, cross_join_clauses = generate_path_by_graph(graph, table_names, tables)
if len(_tables_in_join_clauses(join_clauses)) >= 3:
join_clauses = _find_and_remove_star_table(columns, join_clauses)
stringified_join_clauses = []
for idx, (start, start_alias, end, end_alias, entry_column, exit_column) in enumerate(join_clauses):
# the first case is kind of an exception case, as we need to write two tables, for example: "A AS T1 JOIN B AS T2 ON ....".
# All the following joins will only be "... JOIN T2 ON ...."
if idx == 0:
stringified_join_clauses.append(
f"{start} JOIN {end} ON {start_alias}.{entry_column} = {end_alias}.{exit_column}")
else:
stringified_join_clauses.append(f"JOIN {end} ON {start_alias}.{entry_column} = {end_alias}.{exit_column}")
# that's the cross-join exception cases. We have to add them for syntactical correctness, even though it will not result
# in a good query at execution.
for table, table_alias in cross_join_clauses:
if len(stringified_join_clauses) == 0:
stringified_join_clauses.append(f"{table}")
else:
stringified_join_clauses.append(f"JOIN {table}")
return f'FROM {" ".join(stringified_join_clauses)}'
def generate_path_by_graph(graph, table_names, tables):
join_clause = list()
cross_joins, tables_handled_by_cross_joins = _handle_standalone_tables(graph, table_names, tables)
tables_cleaned = [table for table in tables if table not in tables_handled_by_cross_joins]
idx = 0
edges = []
# We always deal with two tables at the time and try to find the shortest path between them. This might be over-simplified
# as there could be a more optimal path between all tables (see Steiner Graph), but practically it doesn't matter so much.
while idx < len(tables_cleaned) - 1:
start_table = tables_cleaned[idx]
end_table = tables_cleaned[idx + 1]
edges_for_this_path = graph.dijkstra(start_table, end_table)
if edges_for_this_path:
edges.extend(edges_for_this_path)
else:
raise Exception(f"We could not find a path between table '${start_table}' and '${end_table}'. This query can"
f"not work. Make sure you allow only questions in a fully connected schema!")
idx += 1
# now there might be duplicates - as parts of the path from A to C might be the same as from A to B.
# be aware that, as we only consider INNER JOINS, A <-> B is equal to B <-> A! So we also have to remove this edges.
edges_deduplicated = _deduplicate_edges(edges)
# now for each edge we now have to add both, the start table and the end table to the join_clause (including the PK/FK-columns).
for edge in edges_deduplicated:
if edge.start not in table_names:
table_names[edge.start] = edge.start.replace(' ', '_')
if edge.end not in table_names:
table_names[edge.end] = edge.end.replace(' ', '_')
join_clause.append((edge.start,
table_names[edge.start],
edge.end,
table_names[edge.end],
edge.entry_column,
edge.exit_column))
return join_clause, cross_joins
def _handle_standalone_tables(graph, table_names, tables):
join_clause = []
tables_handled = []
# there is a few rare cases of tables without connections to others - which will then obviously not be part of the graph.
# as we can't properly handle this cases, we just have to do a stupid cross-join with them
for table in tables:
if table not in graph.vertices:
join_clause.append((table, table_names[table]))
tables_handled.append(table)
remaining_tables = [t for t in table_names if t not in tables_handled]
# if there is only one table left after removing all the others, we can't use a graph anymore - so we need to do use a cross join as well.
if len(remaining_tables) == 1:
join_clause.append((remaining_tables[0], table_names[remaining_tables[0]]))
tables_handled.append(remaining_tables[0])
return join_clause, tables_handled
def _get_max_alias(table_names):
max_key = 1
for t, k in table_names.items():
_k = int(k[1:])
if _k > max_key:
max_key = _k
return max_key + 10
def _find_and_remove_star_table(columns, join_clause):
"""
Starting from 3 tables we have to deal with the "star-table" effect - a join with a joining table where we only wanna know e.g. the count(*) of the third table.
In that case we don't need to join the third table - we just do a count over the join with the joining table.
In general, the additional join is not an issue - but is seen as incorrect by the spider-evaluation and therefore we have to remove it.
Example:
SELECT T2.concert_name , T2.theme , count(*) FROM singer_in_concert AS T1 JOIN concert AS T2 ON T1.concert_id = T2.concert_id GROUP BY T2.concert_id ---> GOOD
SELECT T1.concert_Name, T1.Theme, count(*) FROM concert AS T1 JOIN singer_in_concert AS T3 JOIN singer AS T2 GROUP BY T1.concert_ID -----> BAD, REMOVE "singer" join.
"""
# unfortunately auto tuple unpacking doesn't work anymore in python 3, therefore this comment: a "column" contains the 3 elements "aggregator, "column name", "table".
star_tables = list(map(lambda column: column[2], filter(lambda column: column[1] == '*', columns)))
# remove duplicates
star_tables = list(set(star_tables))
assert len(star_tables) <= 1, "The case of having multiple star-joins is currently not supported (and not part of the spider-dataset)"
if len(star_tables) == 1:
star_table = star_tables[0]
# we need to make sure the table we try to remove is not used at any other place - e.g. in the SELECT or in the WHERE clause.
# only then we can safely remove it
if len(list(filter(lambda column: column[1] != '*' and column[2] == star_table, columns))) == 0:
# we only remove star-tables if they are the start or end table in the graph.
# remember, an join_clause tuple looks like this: (start, start_alias, end, end_alias, entry_column, exit_column)
start_edge = join_clause[0]
start_edge_from, _, start_edge_to, _, _, _ = start_edge
end_edge = join_clause[len(join_clause) - 1]
end_edge_from, _, end_edge_to, _, _, _ = end_edge
if start_edge_from == star_table:
if second_table_in_edge_is_availabe_elswhere(start_edge_to, join_clause[1:]):
return join_clause[1:]
if end_edge_to == star_table:
if second_table_in_edge_is_availabe_elswhere(end_edge_from, join_clause[:-1]):
return join_clause[:-1]
return join_clause
def second_table_in_edge_is_availabe_elswhere(second_table, remaining_edges):
"""
By removing an edge, we basically remove two tables. If there schema is a "normal" schema, where the edges are "A --> B", "B --> C"
this is not an issue.
We we though have a non-linear schema, like "A --> B", "A --> C" we can't just remove the first edge - we would loose B completely!
To avoid this we make sure the second table in the edge we plan to remove is available in another edge.
A schema where we have to deal with this issue is e.g. "flight_2", where two relations go from "flights" to "airports".
"""
for edge in remaining_edges:
start, _, end, _, _, _ = edge
if second_table == start or second_table == end:
return True
return False
def _deduplicate_edges(edges):
deduplicated = []
for e1 in edges:
found_match = False
for e2 in deduplicated:
# make sure two edges do not match - while paying no attention to the direction of the edge!
# more complex might make it necessary to also include the foreign key/primary key here, as you could theoretically have multiple relationships between two tables.
if (e1.start == e2.start and e1.end == e2.end) or (e1.start == e2.end and e1.end == e2.start):
found_match = True
if not found_match:
deduplicated.append(e1)
return deduplicated
def _tables_in_join_clauses(join_clauses):
unique_tables = set()
for clause in join_clauses:
start_table, _, end_table, _, _, _ = clause
unique_tables.add(start_table)
unique_tables.add(end_table)
return list(unique_tables)
| def infer_from_clause(table_names, graph, columns):
tables = list(table_names.keys())
if len(tables) == 1:
return f'FROM {tables[0]} '
else:
(join_clauses, cross_join_clauses) = generate_path_by_graph(graph, table_names, tables)
if len(_tables_in_join_clauses(join_clauses)) >= 3:
join_clauses = _find_and_remove_star_table(columns, join_clauses)
stringified_join_clauses = []
for (idx, (start, start_alias, end, end_alias, entry_column, exit_column)) in enumerate(join_clauses):
if idx == 0:
stringified_join_clauses.append(f'{start} JOIN {end} ON {start_alias}.{entry_column} = {end_alias}.{exit_column}')
else:
stringified_join_clauses.append(f'JOIN {end} ON {start_alias}.{entry_column} = {end_alias}.{exit_column}')
for (table, table_alias) in cross_join_clauses:
if len(stringified_join_clauses) == 0:
stringified_join_clauses.append(f'{table}')
else:
stringified_join_clauses.append(f'JOIN {table}')
return f"FROM {' '.join(stringified_join_clauses)}"
def generate_path_by_graph(graph, table_names, tables):
join_clause = list()
(cross_joins, tables_handled_by_cross_joins) = _handle_standalone_tables(graph, table_names, tables)
tables_cleaned = [table for table in tables if table not in tables_handled_by_cross_joins]
idx = 0
edges = []
while idx < len(tables_cleaned) - 1:
start_table = tables_cleaned[idx]
end_table = tables_cleaned[idx + 1]
edges_for_this_path = graph.dijkstra(start_table, end_table)
if edges_for_this_path:
edges.extend(edges_for_this_path)
else:
raise exception(f"We could not find a path between table '${start_table}' and '${end_table}'. This query cannot work. Make sure you allow only questions in a fully connected schema!")
idx += 1
edges_deduplicated = _deduplicate_edges(edges)
for edge in edges_deduplicated:
if edge.start not in table_names:
table_names[edge.start] = edge.start.replace(' ', '_')
if edge.end not in table_names:
table_names[edge.end] = edge.end.replace(' ', '_')
join_clause.append((edge.start, table_names[edge.start], edge.end, table_names[edge.end], edge.entry_column, edge.exit_column))
return (join_clause, cross_joins)
def _handle_standalone_tables(graph, table_names, tables):
join_clause = []
tables_handled = []
for table in tables:
if table not in graph.vertices:
join_clause.append((table, table_names[table]))
tables_handled.append(table)
remaining_tables = [t for t in table_names if t not in tables_handled]
if len(remaining_tables) == 1:
join_clause.append((remaining_tables[0], table_names[remaining_tables[0]]))
tables_handled.append(remaining_tables[0])
return (join_clause, tables_handled)
def _get_max_alias(table_names):
max_key = 1
for (t, k) in table_names.items():
_k = int(k[1:])
if _k > max_key:
max_key = _k
return max_key + 10
def _find_and_remove_star_table(columns, join_clause):
"""
Starting from 3 tables we have to deal with the "star-table" effect - a join with a joining table where we only wanna know e.g. the count(*) of the third table.
In that case we don't need to join the third table - we just do a count over the join with the joining table.
In general, the additional join is not an issue - but is seen as incorrect by the spider-evaluation and therefore we have to remove it.
Example:
SELECT T2.concert_name , T2.theme , count(*) FROM singer_in_concert AS T1 JOIN concert AS T2 ON T1.concert_id = T2.concert_id GROUP BY T2.concert_id ---> GOOD
SELECT T1.concert_Name, T1.Theme, count(*) FROM concert AS T1 JOIN singer_in_concert AS T3 JOIN singer AS T2 GROUP BY T1.concert_ID -----> BAD, REMOVE "singer" join.
"""
star_tables = list(map(lambda column: column[2], filter(lambda column: column[1] == '*', columns)))
star_tables = list(set(star_tables))
assert len(star_tables) <= 1, 'The case of having multiple star-joins is currently not supported (and not part of the spider-dataset)'
if len(star_tables) == 1:
star_table = star_tables[0]
if len(list(filter(lambda column: column[1] != '*' and column[2] == star_table, columns))) == 0:
start_edge = join_clause[0]
(start_edge_from, _, start_edge_to, _, _, _) = start_edge
end_edge = join_clause[len(join_clause) - 1]
(end_edge_from, _, end_edge_to, _, _, _) = end_edge
if start_edge_from == star_table:
if second_table_in_edge_is_availabe_elswhere(start_edge_to, join_clause[1:]):
return join_clause[1:]
if end_edge_to == star_table:
if second_table_in_edge_is_availabe_elswhere(end_edge_from, join_clause[:-1]):
return join_clause[:-1]
return join_clause
def second_table_in_edge_is_availabe_elswhere(second_table, remaining_edges):
"""
By removing an edge, we basically remove two tables. If there schema is a "normal" schema, where the edges are "A --> B", "B --> C"
this is not an issue.
We we though have a non-linear schema, like "A --> B", "A --> C" we can't just remove the first edge - we would loose B completely!
To avoid this we make sure the second table in the edge we plan to remove is available in another edge.
A schema where we have to deal with this issue is e.g. "flight_2", where two relations go from "flights" to "airports".
"""
for edge in remaining_edges:
(start, _, end, _, _, _) = edge
if second_table == start or second_table == end:
return True
return False
def _deduplicate_edges(edges):
deduplicated = []
for e1 in edges:
found_match = False
for e2 in deduplicated:
if e1.start == e2.start and e1.end == e2.end or (e1.start == e2.end and e1.end == e2.start):
found_match = True
if not found_match:
deduplicated.append(e1)
return deduplicated
def _tables_in_join_clauses(join_clauses):
unique_tables = set()
for clause in join_clauses:
(start_table, _, end_table, _, _, _) = clause
unique_tables.add(start_table)
unique_tables.add(end_table)
return list(unique_tables) |
def comment_dialog(data=None):
"""
Function takes in a JSON object, and uses the following format:
https://api.slack.com/dialogs
Returns created JSON object, then is sent back to Slack.
"""
text = ""
state = ""
project_holder = None
item_holder = None
if data is not None:
if data["type"] == "message_action":
text = data["message"]["text"] + "\n"
# get attachment images from the massage
if "attachments" in data["message"]:
text += "Attachments:\n"
for att in data["message"]["attachments"]:
text += att["title"] + ":\n"
if "image_url" in att:
text += att["image_url"] + "\n"
# get files from the massage
if "files" in data["message"]:
text += "Attach files:\n"
for file in data["message"]["files"]:
text += file["title"] + ":\n"
text += file["url_private"] + "\n"
if data["type"] == "interactive_message":
if data["callback_id"] == "bot_project":
label = data["original_message"]["attachments"][0]["fallback"]
project_holder = [
{
"label": label,
"value": data["actions"][0]["value"]
}
]
state = data["actions"][0]["value"]
elif data["callback_id"] == "bot_item":
label = data["original_message"]["attachments"][0]["fallback"]
item_holder = [
{
"label": label,
"value": data["actions"][0]["value"]
}
]
return {
"title": "JamaConnect - Comment",
"submit_label": "Submit",
"callback_id": "comment",
"elements": [
{
"label": "Search Projects:",
"type": "select",
"name": "project",
"optional": "true",
"data_source": "external",
"selected_options": project_holder
},
{
"label": "Project ID:",
"type": "select",
"name": "project_id",
"optional": "true",
"data_source": "external",
"selected_options": project_holder
},
{
"label": "Item ID or Name:",
"type": "select",
"name": "item",
"data_source": "external",
"min_query_length": 0,
"selected_options": item_holder
},
{
"type": "textarea",
"label": "Comment",
"name": "comment",
"value": text
}
],
"state": state
}
| def comment_dialog(data=None):
"""
Function takes in a JSON object, and uses the following format:
https://api.slack.com/dialogs
Returns created JSON object, then is sent back to Slack.
"""
text = ''
state = ''
project_holder = None
item_holder = None
if data is not None:
if data['type'] == 'message_action':
text = data['message']['text'] + '\n'
if 'attachments' in data['message']:
text += 'Attachments:\n'
for att in data['message']['attachments']:
text += att['title'] + ':\n'
if 'image_url' in att:
text += att['image_url'] + '\n'
if 'files' in data['message']:
text += 'Attach files:\n'
for file in data['message']['files']:
text += file['title'] + ':\n'
text += file['url_private'] + '\n'
if data['type'] == 'interactive_message':
if data['callback_id'] == 'bot_project':
label = data['original_message']['attachments'][0]['fallback']
project_holder = [{'label': label, 'value': data['actions'][0]['value']}]
state = data['actions'][0]['value']
elif data['callback_id'] == 'bot_item':
label = data['original_message']['attachments'][0]['fallback']
item_holder = [{'label': label, 'value': data['actions'][0]['value']}]
return {'title': 'JamaConnect - Comment', 'submit_label': 'Submit', 'callback_id': 'comment', 'elements': [{'label': 'Search Projects:', 'type': 'select', 'name': 'project', 'optional': 'true', 'data_source': 'external', 'selected_options': project_holder}, {'label': 'Project ID:', 'type': 'select', 'name': 'project_id', 'optional': 'true', 'data_source': 'external', 'selected_options': project_holder}, {'label': 'Item ID or Name:', 'type': 'select', 'name': 'item', 'data_source': 'external', 'min_query_length': 0, 'selected_options': item_holder}, {'type': 'textarea', 'label': 'Comment', 'name': 'comment', 'value': text}], 'state': state} |
class Table:
# Constructor
# Defauls row and col to 0 if less than 0
def __init__(self, col_count, row_count, headers = [], border_size = 0):
self.col_count = col_count if col_count >= 0 else 0
self.row_count = row_count if row_count >= 0 else 0
self.border_size = border_size if border_size > 0 else 0
self.headers = headers
# Getters
def get_row_count(self):
return self.row_count
def get_border_size(self):
return self.border_size
def get_col_count(self):
return self.col_count
def get_headers(self):
return self.headers
# Setters
def set_row_count(self, count):
self.row_count = count
def set_border_size(self, new_border_size):
# Pre-Condition: must be between 0 and 5
if border_size > 5 or border_size < 0:
raise Exception("Border size must be a number between 0 and 5 inclusively")
self.border_size = new_border_size
def set_headers(self, headers):
# Pre-condition: headers length must be equal to column count
if len(headers) != self.col_count:
raise Exception("Headers amount must be the same as column count")
self.headers = headers
# Mutators
def add_rows(self, count):
# Pre-Condition: count to add must be greater than 0
if count < 1:
raise Exception("Number of rows to add must be greater than 0")
self.row_count += count
def delete_rows(self, count):
# Pre-Condition: count to remove must be greater than 0
if count < 1:
raise Exception("Number of rows to delete must be greater than 0")
new_total = self.row_count - count
self.row_count = new_total if count < self.row_count else 0
def add_cols(self, col_amt_to_add, headers = []):
if len(headers) > 0:
if len(headers) != col_amt_to_add:
raise Exception("Headers amount must be the same as column count to add")
self.add_headers(headers)
else:
if len(self.headers) > 0:
raise Exception("Please send through desired header names for columns")
self.col_count += col_amt_to_add
def delete_cols(self, col_amt_to_delete, headers = []):
if len(headers) > 0:
if len(headers) != col_amt_to_delete:
raise Exception("Headers amount must be the same as column count to delete")
self.delete_headers(headers)
else:
if len(self.headers) > 0:
raise Exception("Please send through desired header names for columns removal")
self.col_count -= col_amt_to_delete
def add_headers(self, headers):
self.headers = self.headers + headers
# Must add the columns if adding Headers
self.col_count = len(self.headers)
def delete_headers(self, headers):
print(headers)
print(self.headers)
for header in headers:
if header in self.headers:
self.headers.remove(header)
# Must decrement the column count if removing headers
self.col_count = len(self.headers)
def make_table(self):
reasonable_border = self.border_size > 0
added_border_element = ["<br>\n","<table border=\"" + str(border_size) +"\">\n"]
elements = added_border_element if reasonable_border else ["<br>\n","<table>\n"]
col_counter = 0
row_counter = 0
file = open("table.html", "a")
if len(self.headers) > 0:
elements.append("\t<tr>\n")
for n in self.headers:
elements.append("\t\t<th>" + n + "</th>\n")
elements.append("\t</tr>\n")
while row_counter < self.row_count:
elements.append("\t<tr>\n")
while col_counter < self.col_count:
elements.append("\t\t<td>test</td>\n")
col_counter += 1
elements.append("\t</tr>\n")
row_counter += 1
col_counter = 0
elements.append("</table>\n")
file.writelines(elements)
file.close()
col = 0
row = 0
header = ""
headers = []
border_size = -1
while col < 1 or col > 100:
col = input("How many columns do you want (1 to 100)? ")
col = int(col)
while row < 1 or col > 100:
row = input("How many rows do you want (1 to 100)? ")
row = int(row)
while header != "Y" and header != "N":
header = input("Do you want headers? Y/N ")
# If headers are wanted, give them names
if header == "Y":
header = True
for n in range(col):
headers.append(input("Header #" + str(n + 1) + ": "))
else:
header = False
while border_size < 0 or border_size > 5:
border_size = input("Enter a number for border size 1 to 5 ")
border_size = int(border_size)
# DEMOOOOOO
table = Table(col, row, headers, border_size)
table.make_table()
table.add_headers(["1", "2", "4"])
print("Here are your current headers: ")
print(table.get_headers())
print("Here is your current border size: ")
print(table.get_border_size())
table.make_table()
table.delete_cols(3, ["1", "2", "4"])
print("Here are your headers now: ")
print(table.get_headers())
print("Let's check your column count: ")
print(table.get_col_count())
# table.delete_cols(4) # should throw error
table.set_row_count(3)
table.add_rows(5)
print("Row count should be 8 because I just set it to 3 and added 5: ")
print(table.get_row_count())
| class Table:
def __init__(self, col_count, row_count, headers=[], border_size=0):
self.col_count = col_count if col_count >= 0 else 0
self.row_count = row_count if row_count >= 0 else 0
self.border_size = border_size if border_size > 0 else 0
self.headers = headers
def get_row_count(self):
return self.row_count
def get_border_size(self):
return self.border_size
def get_col_count(self):
return self.col_count
def get_headers(self):
return self.headers
def set_row_count(self, count):
self.row_count = count
def set_border_size(self, new_border_size):
if border_size > 5 or border_size < 0:
raise exception('Border size must be a number between 0 and 5 inclusively')
self.border_size = new_border_size
def set_headers(self, headers):
if len(headers) != self.col_count:
raise exception('Headers amount must be the same as column count')
self.headers = headers
def add_rows(self, count):
if count < 1:
raise exception('Number of rows to add must be greater than 0')
self.row_count += count
def delete_rows(self, count):
if count < 1:
raise exception('Number of rows to delete must be greater than 0')
new_total = self.row_count - count
self.row_count = new_total if count < self.row_count else 0
def add_cols(self, col_amt_to_add, headers=[]):
if len(headers) > 0:
if len(headers) != col_amt_to_add:
raise exception('Headers amount must be the same as column count to add')
self.add_headers(headers)
else:
if len(self.headers) > 0:
raise exception('Please send through desired header names for columns')
self.col_count += col_amt_to_add
def delete_cols(self, col_amt_to_delete, headers=[]):
if len(headers) > 0:
if len(headers) != col_amt_to_delete:
raise exception('Headers amount must be the same as column count to delete')
self.delete_headers(headers)
else:
if len(self.headers) > 0:
raise exception('Please send through desired header names for columns removal')
self.col_count -= col_amt_to_delete
def add_headers(self, headers):
self.headers = self.headers + headers
self.col_count = len(self.headers)
def delete_headers(self, headers):
print(headers)
print(self.headers)
for header in headers:
if header in self.headers:
self.headers.remove(header)
self.col_count = len(self.headers)
def make_table(self):
reasonable_border = self.border_size > 0
added_border_element = ['<br>\n', '<table border="' + str(border_size) + '">\n']
elements = added_border_element if reasonable_border else ['<br>\n', '<table>\n']
col_counter = 0
row_counter = 0
file = open('table.html', 'a')
if len(self.headers) > 0:
elements.append('\t<tr>\n')
for n in self.headers:
elements.append('\t\t<th>' + n + '</th>\n')
elements.append('\t</tr>\n')
while row_counter < self.row_count:
elements.append('\t<tr>\n')
while col_counter < self.col_count:
elements.append('\t\t<td>test</td>\n')
col_counter += 1
elements.append('\t</tr>\n')
row_counter += 1
col_counter = 0
elements.append('</table>\n')
file.writelines(elements)
file.close()
col = 0
row = 0
header = ''
headers = []
border_size = -1
while col < 1 or col > 100:
col = input('How many columns do you want (1 to 100)? ')
col = int(col)
while row < 1 or col > 100:
row = input('How many rows do you want (1 to 100)? ')
row = int(row)
while header != 'Y' and header != 'N':
header = input('Do you want headers? Y/N ')
if header == 'Y':
header = True
for n in range(col):
headers.append(input('Header #' + str(n + 1) + ': '))
else:
header = False
while border_size < 0 or border_size > 5:
border_size = input('Enter a number for border size 1 to 5 ')
border_size = int(border_size)
table = table(col, row, headers, border_size)
table.make_table()
table.add_headers(['1', '2', '4'])
print('Here are your current headers: ')
print(table.get_headers())
print('Here is your current border size: ')
print(table.get_border_size())
table.make_table()
table.delete_cols(3, ['1', '2', '4'])
print('Here are your headers now: ')
print(table.get_headers())
print("Let's check your column count: ")
print(table.get_col_count())
table.set_row_count(3)
table.add_rows(5)
print('Row count should be 8 because I just set it to 3 and added 5: ')
print(table.get_row_count()) |
class cluster(object):
def __init__(self,members=[]):
self.s=set(members)
def merge(self, other):
self.s.union(other.s)
return self
class clusterManager(object):
def __init__(self,clusters={}):
self.c=clusters
def merge(self, i, j):
self.c[i]=self.c[j]=self.c[i].merge(self.c[j])
def count(self):
return len(set(self.c.values()))
def zombieCluster(zombies):
cm=clusterManager(clusters={i:cluster(members=[i]) for i in xrange(len(zombies))})
for i,row in enumerate(zombies):
for j,column in enumerate(row):
if column == '1':
cm.merge(i,j)
return cm.count()
| class Cluster(object):
def __init__(self, members=[]):
self.s = set(members)
def merge(self, other):
self.s.union(other.s)
return self
class Clustermanager(object):
def __init__(self, clusters={}):
self.c = clusters
def merge(self, i, j):
self.c[i] = self.c[j] = self.c[i].merge(self.c[j])
def count(self):
return len(set(self.c.values()))
def zombie_cluster(zombies):
cm = cluster_manager(clusters={i: cluster(members=[i]) for i in xrange(len(zombies))})
for (i, row) in enumerate(zombies):
for (j, column) in enumerate(row):
if column == '1':
cm.merge(i, j)
return cm.count() |
#backslash and new line ignored
print("one\
two\
three")
| print('one two three') |
jogador = dict()
partidas = list()
jogador['nome'] = str(input('Nome do jogador: '))
tot = int(input(f'Quantas partidas {jogador["nome"]} jogou? '))
for c in range(0, tot):
partidas.append(int(input(f' Quantos gols na partida {c}? ')))
jogador['gols'] = partidas[:]
jogador['total'] = sum(partidas)
print(30*'-=')
print(jogador)
print(30*'-=')
for k, v in jogador.items():
print(f'O campo {k} tem o valor {v}')
print(30*'-=')
print(f'O jogador {jogador["nome"]} jogou {len(jogador["gols"])} partidas.')
for i, v in enumerate(jogador["gols"]):
print(f' => Na partida {i}, fez {v} gols.')
print(f'Foi um total de {jogador["total"]} gols.')
# Ou
# jogador = dict()
# partidas = list()
# p = tot = 0
# jogador['nome'] = str(input('Nome do Jogador: '))
# quant = int(input(f'Quantas partidas {jogador["nome"]} jogou? '))
# while p < quant:
# jogos = int(input(f' Quantos gols na partida {p}? '))
# partidas.append(jogos)
# tot += jogos
# p += 1
# jogador['gols'] = partidas
# jogador['total'] = tot
# print(30*'-=')
# print(jogador)
# print(30*'-=')
# for k, v in jogador.items():
# print(f'O campo {k} tem o valor {v}')
# print(30*'-=')
# print(f'O jogador {jogador["nome"]} jogou {quant} partidas.')
# for c, g in enumerate(partidas):
# print(f' => Na partida {c}, fez {g} gols.')
# print(f'Foi um total de {jogador["total"]} gols.') | jogador = dict()
partidas = list()
jogador['nome'] = str(input('Nome do jogador: '))
tot = int(input(f"Quantas partidas {jogador['nome']} jogou? "))
for c in range(0, tot):
partidas.append(int(input(f' Quantos gols na partida {c}? ')))
jogador['gols'] = partidas[:]
jogador['total'] = sum(partidas)
print(30 * '-=')
print(jogador)
print(30 * '-=')
for (k, v) in jogador.items():
print(f'O campo {k} tem o valor {v}')
print(30 * '-=')
print(f"O jogador {jogador['nome']} jogou {len(jogador['gols'])} partidas.")
for (i, v) in enumerate(jogador['gols']):
print(f' => Na partida {i}, fez {v} gols.')
print(f"Foi um total de {jogador['total']} gols.") |
#skip.runas import Image; im = Image.open("Scribus.gif"); image_list = list(im.getdata()); cols, rows = im.size; res = range(len(image_list)); sobelFilter(image_list, res, cols, rows)
#runas cols = 100; rows = 100 ;image_list=[x%10+y%20 for x in xrange(cols) for y in xrange(rows)]; sobelFilter(image_list, cols, rows)
#bench cols = 1000; rows = 500 ;image_list=[x%10+y%20 for x in xrange(cols) for y in xrange(rows)]; sobelFilter(image_list, cols, rows)
#pythran export sobelFilter(int list, int, int)
def sobelFilter(original_image, cols, rows):
edge_image = range(len(original_image))
for i in xrange(rows):
edge_image[i * cols] = 255
edge_image[((i + 1) * cols) - 1] = 255
for i in xrange(1, cols - 1):
edge_image[i] = 255
edge_image[i + ((rows - 1) * cols)] = 255
for iy in xrange(1, rows - 1):
for ix in xrange(1, cols - 1):
sum_x = 0
sum_y = 0
sum = 0
#x gradient approximation
sum_x += original_image[ix - 1 + (iy - 1) * cols] * -1
sum_x += original_image[ix + (iy - 1) * cols] * -2
sum_x += original_image[ix + 1 + (iy - 1) * cols] * -1
sum_x += original_image[ix - 1 + (iy + 1) * cols] * 1
sum_x += original_image[ix + (iy + 1) * cols] * 2
sum_x += original_image[ix + 1 + (iy + 1) * cols] * 1
sum_x = min(255, max(0, sum_x))
#y gradient approximatio
sum_y += original_image[ix - 1 + (iy - 1) * cols] * 1
sum_y += original_image[ix + 1 + (iy - 1) * cols] * -1
sum_y += original_image[ix - 1 + (iy) * cols] * 2
sum_y += original_image[ix + 1 + (iy) * cols] * -2
sum_y += original_image[ix - 1 + (iy + 1) * cols] * 1
sum_y += original_image[ix + 1 + (iy + 1) * cols] * -1
sum_y = min(255, max(0, sum_y))
#GRADIENT MAGNITUDE APPROXIMATION
sum = abs(sum_x) + abs(sum_y)
#make edges black and background white
edge_image[ix + iy * cols] = 255 - (255 & sum)
return edge_image
| def sobel_filter(original_image, cols, rows):
edge_image = range(len(original_image))
for i in xrange(rows):
edge_image[i * cols] = 255
edge_image[(i + 1) * cols - 1] = 255
for i in xrange(1, cols - 1):
edge_image[i] = 255
edge_image[i + (rows - 1) * cols] = 255
for iy in xrange(1, rows - 1):
for ix in xrange(1, cols - 1):
sum_x = 0
sum_y = 0
sum = 0
sum_x += original_image[ix - 1 + (iy - 1) * cols] * -1
sum_x += original_image[ix + (iy - 1) * cols] * -2
sum_x += original_image[ix + 1 + (iy - 1) * cols] * -1
sum_x += original_image[ix - 1 + (iy + 1) * cols] * 1
sum_x += original_image[ix + (iy + 1) * cols] * 2
sum_x += original_image[ix + 1 + (iy + 1) * cols] * 1
sum_x = min(255, max(0, sum_x))
sum_y += original_image[ix - 1 + (iy - 1) * cols] * 1
sum_y += original_image[ix + 1 + (iy - 1) * cols] * -1
sum_y += original_image[ix - 1 + iy * cols] * 2
sum_y += original_image[ix + 1 + iy * cols] * -2
sum_y += original_image[ix - 1 + (iy + 1) * cols] * 1
sum_y += original_image[ix + 1 + (iy + 1) * cols] * -1
sum_y = min(255, max(0, sum_y))
sum = abs(sum_x) + abs(sum_y)
edge_image[ix + iy * cols] = 255 - (255 & sum)
return edge_image |
# This file is only used to generate documentation
# VM class
class vm():
def getGPRState():
"""Obtain the current general purpose register state.
:returns: GPRState (an object containing the GPR state).
"""
pass
def getFPRState():
"""Obtain the current floating point register state.
:returns: FPRState (an object containing the FPR state).
"""
pass
def setGPRState(gprState):
"""Set the general purpose register state.
:param grpState: An object containing the GPR state.
"""
pass
def setFPRState(fprState):
"""Set the current floating point register state.
:param fprState: An object containing the FPR state
"""
pass
def run(start, stop):
"""Start the execution by the DBI from a given address (and stop when another is reached).
:param start: Address of the first instruction to execute.
:param stop: Stop the execution when this instruction is reached.
:returns: True if at least one block has been executed.
"""
pass
def call(function, args):
"""Call a function using the DBI (and its current state).
:param function: Address of the function start instruction.
:param args: The arguments as a list [arg0, arg1, arg2, ...].
:returns: (True, retValue) if at least one block has been executed.
"""
pass
def addCodeCB(pos, cbk, data):
"""Register a callback event for a specific instruction event.
:param pos: Relative position of the event callback (:py:const:`pyqbdi.PREINST` / :py:const:`pyqbdi.POSTINST`).
:param cbk: A function to be called back.
:param data: User defined data passed to the callback.
:returns: The id of the registered instrumentation (or :py:const:`pyqbdi.INVALID_EVENTID` in case of failure).
"""
pass
def addCodeAddrCB(address, pos, cbk, data):
"""Register a callback for when a specific address is executed.
:param address: Code address which will trigger the callback.
:param pos: Relative position of the event callback (:py:const:`pyqbdi.PREINST` / :py:const:`pyqbdi.POSTINST`).
:param cbk: A function to be called back.
:param data: User defined data passed to the callback.
:returns: The id of the registered instrumentation (or :py:const:`pyqbdi.INVALID_EVENTID` in case of failure).
"""
pass
def addCodeRangeCB(start, end, pos, cbk, data):
"""Register a callback for when a specific address range is executed.
:param start: Start of the address range which will trigger the callback.
:param end: End of the address range which will trigger the callback.
:param pos: Relative position of the event callback (:py:const:`pyqbdi.PREINST` / :py:const:`pyqbdi.POSTINST`).
:param cbk: A function to be called back.
:param data: User defined data passed to the callback.
:returns: The id of the registered instrumentation (or :py:const:`pyqbdi.INVALID_EVENTID` in case of failure).
"""
pass
def addMnemonicCB(mnemonic, pos, cbk, data):
"""Register a callback event if the instruction matches the mnemonic.
:param mnemonic: Mnemonic to match.
:param pos: Relative position of the event callback (:py:const:`pyqbdi.PREINST` / :py:const:`pyqbdi.POSTINST`).
:param cbk: A function to be called back.
:param data: User defined data passed to the callback.
:returns: The id of the registered instrumentation (or :py:const:`pyqbdi.INVALID_EVENTID` in case of failure).
"""
pass
def deleteInstrumentation(id):
"""Remove an instrumentation.
:param id: The id of the instrumentation to remove.
:returns: True if instrumentation has been removed.
"""
pass
def deleteAllInstrumentations():
"""Remove all the registered instrumentations.
"""
pass
def addMemAddrCB(address, type, cbk, data):
"""Add a virtual callback which is triggered for any memory access at a specific address matching the access type. Virtual callbacks are called via callback forwarding by a gate callback triggered on every memory access. This incurs a high performance cost.
:param address: Code address which will trigger the callback.
:param type: A mode bitfield: either :py:const:`pyqbdi.MEMORY_READ`, :py:const:`pyqbdi.MEMORY_WRITE` or both (:py:const:`pyqbdi.MEMORY_READ_WRITE`).
:param cbk: A function to be called back.
:param data: User defined data passed to the callback.
:returns: The id of the registered instrumentation (or :py:const:`pyqbdi.INVALID_EVENTID` in case of failure).
"""
pass
def addMemRangeCB(start, end, type, cbk, data):
"""Add a virtual callback which is triggered for any memory access in a specific address range matching the access type. Virtual callbacks are called via callback forwarding by a gate callback triggered on every memory access. This incurs a high performance cost.
:param start: Start of the address range which will trigger the callback.
:param end: End of the address range which will trigger the callback.
:param type: A mode bitfield: either :py:const:`pyqbdi.MEMORY_READ`, :py:const:`pyqbdi.MEMORY_WRITE` or both (:py:const:`pyqbdi.MEMORY_READ_WRITE`).
:param cbk: A function to be called back.
:param data: User defined data passed to the callback.
:returns: The id of the registered instrumentation (or :py:const:`pyqbdi.INVALID_EVENTID` in case of failure).
"""
pass
def addMemAccessCB(type, cbk, data):
"""Register a callback event for every memory access matching the type bitfield made by an instruction.
:param type: A mode bitfield: either :py:const:`pyqbdi.MEMORY_READ`, :py:const:`pyqbdi.MEMORY_WRITE` or both (:py:const:`pyqbdi.MEMORY_READ_WRITE`).
:param cbk: A function to be called back.
:param data: User defined data passed to the callback.
:returns: The id of the registered instrumentation (or :py:const:`pyqbdi.INVALID_EVENTID` in case of failure).
"""
pass
def recordMemoryAccess(type):
"""Add instrumentation rules to log memory access using inline instrumentation and instruction shadows.
:param type: Memory mode bitfield to activate the logging for: either :py:const:`pyqbdi.MEMORY_READ`, :py:const:`pyqbdi.MEMORY_WRITE` or both (:py:const:`pyqbdi.MEMORY_READ_WRITE`).
:returns: True if inline memory logging is supported, False if not or in case of error.
"""
pass
def getInstAnalysis(type):
""" Obtain the analysis of an instruction metadata. Analysis results are cached in the VM. The validity of the returned object is only guaranteed until the end of the callback, else a deepcopy of the object is required.
:param type: Properties to retrieve during analysis (pyqbdi.ANALYSIS_INSTRUCTION, pyqbdi.ANALYSIS_DISASSEMBLY, pyqbdi.ANALYSIS_OPERANDS, pyqbdi.ANALYSIS_SYMBOL).
:returns: A :py:class:`InstAnalysis` object containing the analysis result.
"""
pass
def getInstMemoryAccess():
"""Obtain the memory accesses made by the last executed instruction.
:returns: A list of memory accesses (:py:class:`MemoryAccess`) made by the instruction.
"""
pass
def getBBMemoryAccess():
"""Obtain the memory accesses made by the last executed basic block.
:returns: A list of memory accesses (:py:class:`MemoryAccess`) made by the basic block.
"""
pass
def precacheBasicBlock(pc):
"""Pre-cache a known basic block
:param pc: Start address of a basic block
:returns: True if basic block has been inserted in cache.
"""
pass
def clearCache(start, end):
"""Clear a specific address range from the translation cache.
:param start: Start of the address range to clear from the cache.
:param end: End of the address range to clear from the cache.
"""
pass
def clearAllCache():
"""Clear the entire translation cache.
"""
pass
def addVMEventCB(mask, cbk, data):
"""Register a callback event for a specific VM event.
:param mask: A mask of VM event type which will trigger the callback.
:param cbk: A function to be called back.
:param data: User defined data passed to the callback.
:returns: The id of the registered instrumentation (or :py:const:`pyqbdi.INVALID_EVENTID` in case of failure).
"""
pass
def addInstrumentedModule(name):
"""Add the executable address ranges of a module to the set of instrumented address ranges.
:param name: The module's name.
:returns: True if at least one range was added to the instrumented ranges.
"""
pass
def addInstrumentedModuleFromAddr(addr):
""" Add the executable address ranges of a module to the set of instrumented address ranges using an address belonging to the module.
:param addr: An address contained by module's range.
:returns: True if at least one range was added to the instrumented ranges.
"""
pass
def addInstrumentedRange(start, end):
"""Add an address range to the set of instrumented address ranges.
:param start: Start address of the range (included).
:param end: End address of the range (excluded).
"""
pass
def instrumentAllExecutableMaps():
"""Adds all the executable memory maps to the instrumented range set.
:returns: True if at least one range was added to the instrumented ranges.
"""
pass
def removeAllInstrumentedRanges():
"""Remove all instrumented ranges.
"""
pass
def removeInstrumentedModule(name):
"""Remove the executable address ranges of a module from the set of instrumented address ranges.
:param name: The module's name.
:returns: True if at least one range was removed from the instrumented ranges.
"""
pass
def removeInstrumentedModuleFromAddr(addr):
"""Remove the executable address ranges of a module from the set of instrumented address ranges using an address belonging to the module.
:param addr: An address contained by module's range.
:returns: True if at least one range was removed from the instrumented ranges.
"""
pass
def removeInstrumentedRange(start, end):
"""Remove an address range from the set of instrumented address ranges.
:param start: Start address of the range (included).
:param end: End address of the range (excluded).
"""
pass
# PyQBDI module functions
def alignedAlloc(size, align):
"""Allocate a block of memory of a specified sized with an aligned base address.
:param size: Allocation size in bytes.
:param align: Base address alignement in bytes.
:returns: Pointer to the allocated memory (as a long) or NULL in case an error was encountered.
"""
pass
def alignedFree():
"""
"""
pass
def allocateVirtualStack(ctx, stackSize):
"""Allocate a new stack and setup the GPRState accordingly.
The allocated stack needs to be freed with alignedFree().
:param ctx: GPRState which will be setup to use the new stack.
:param stackSize: Size of the stack to be allocated.
:returns: A tuple (bool, stack) where 'bool' is true if stack allocation was successfull. And 'stack' the newly allocated stack pointer.
"""
pass
def simulateCall(ctx, returnAddress, args):
"""Simulate a call by modifying the stack and registers accordingly.
:param ctx: GPRState where the simulated call will be setup. The state needs to point to a valid stack for example setup with allocateVirtualStack().
:param returnAddress: Return address of the call to simulate.
:param args: A list of arguments.
"""
pass
def getModuleNames():
""" Get a list of all the module names loaded in the process memory.
:returns: A list of strings, each one containing the name of a loaded module.
"""
pass
def getCurrentProcessMaps():
""" Get a list of all the memory maps (regions) of the current process.
:returns: A list of :py:class:`MemoryMap` object.
"""
pass
def readMemory(address, size):
"""Read a memory content from a base address.
:param address: Base address
:param size: Read size
:returns: Bytes of content.
.. warning::
This API is hazardous as the whole process memory can be read.
"""
pass
def writeMemory(address, bytes):
"""Write a memory content to a base address.
:param address: Base address
:param bytes: Memory content
.. warning::
This API is hazardous as the whole process memory can be written.
"""
pass
def decodeFloat(val):
""" Decode a float stored as a long.
:param val: Long value.
"""
pass
def encodeFloat(val):
"""Encode a float as a long.
:param val: Float value
"""
pass
# Various objects
class MemoryMap:
""" Map of a memory area (region).
"""
range = (0, 0xffff)
""" A range of memory (region), delimited between a start and an (excluded) end address. """
permission = 0
""" Region access rights (PF_READ, PF_WRITE, PF_EXEC). """
name = ""
""" Region name (useful when a region is mapping a module). """
class InstAnalysis:
""" Object containing analysis results of an instruction provided by the VM.
"""
mnemonic = ""
""" LLVM mnemonic (warning: None if !ANALYSIS_INSTRUCTION) """
address = 0
""" Instruction address """
instSize = 0
""" Instruction size (in bytes) """
affectControlFlow = False
""" true if instruction affects control flow """
isBranch = False
""" true if instruction acts like a 'jump' """
isCall = False
""" true if instruction acts like a 'call' """
isReturn = False
""" true if instruction acts like a 'return' """
isCompare = False
""" true if instruction is a comparison """
isPredicable = False
""" true if instruction contains a predicate (~is conditional) """
mayLoad = False
""" true if instruction 'may' load data from memory """
mayStore = False
""" true if instruction 'may' store data to memory """
disassembly = ""
""" Instruction disassembly (warning: None if !ANALYSIS_DISASSEMBLY) """
numOperands = 0
""" Number of operands used by the instruction """
operands = []
""" A list of :py:class:`OperandAnalysis` objects.
(warning: empty if !ANALYSIS_OPERANDS) """
symbol = ""
""" Instruction symbol (warning: None if !ANALYSIS_SYMBOL or not found) """
symbolOffset = 0
""" Instruction symbol offset """
module = ""
""" Instruction module name (warning: None if !ANALYSIS_SYMBOL or not found) """
class OperandAnalysis:
""" Object containing analysis results of an operand provided by the VM.
"""
# Common fields
type = 0
""" Operand type (pyqbdi.OPERAND_IMM, pyqbdi.OPERAND_REG, pyqbdi.OPERAND_PRED) """
value = 0
""" Operand value (if immediate), or register Id """
size = 0
""" Operand size (in bytes) """
# Register specific fields
regOff = 0
""" Sub-register offset in register (in bits) """
regCtxIdx = 0
""" Register index in VM state """
regName = ""
""" Register name """
regAccess = 0
""" Register access type (pyqbdi.REGISTER_READ, pyqbdi.REGISTER_WRITE, pyqbdi.REGISTER_READ_WRITE) """
class VMState:
""" Object describing the current VM state.
"""
event = 0
""" The event(s) which triggered the callback (must be checked using a mask: event & pyqbdi.BASIC_BLOCK_ENTRY). """
basicBlockStart = 0
""" The current basic block start address which can also be the execution transfer destination. """
basicBlockEnd = 0
""" The current basic block end address which can also be the execution transfer destination. """
sequenceStart = 0
""" The current sequence start address which can also be the execution transfer destination. """
sequenceEnd = 0
""" The current sequence end address which can also be the execution transfer destination. """
class MemoryAccess:
""" Describe a memory access
"""
instAddress = 0
""" Address of instruction making the access. """
accessAddress = 0
""" Address of accessed memory. """
value = 0
""" Value read from / written to memory. """
size = 0
""" Size of memory access (in bytes). """
type = 0
""" Memory access type (pyqbdi.MEMORY_READ, pyqbdi.MEMORY_WRITE, pyqbdi.MEMORY_READ_WRITE). """
GPRState = None
""" GPRState object, a binding to :cpp:type:`QBDI::GPRState`
"""
FPRState = None
""" FPRState object, a binding to :cpp:type:`QBDI::FPRState`
"""
| class Vm:
def get_gpr_state():
"""Obtain the current general purpose register state.
:returns: GPRState (an object containing the GPR state).
"""
pass
def get_fpr_state():
"""Obtain the current floating point register state.
:returns: FPRState (an object containing the FPR state).
"""
pass
def set_gpr_state(gprState):
"""Set the general purpose register state.
:param grpState: An object containing the GPR state.
"""
pass
def set_fpr_state(fprState):
"""Set the current floating point register state.
:param fprState: An object containing the FPR state
"""
pass
def run(start, stop):
"""Start the execution by the DBI from a given address (and stop when another is reached).
:param start: Address of the first instruction to execute.
:param stop: Stop the execution when this instruction is reached.
:returns: True if at least one block has been executed.
"""
pass
def call(function, args):
"""Call a function using the DBI (and its current state).
:param function: Address of the function start instruction.
:param args: The arguments as a list [arg0, arg1, arg2, ...].
:returns: (True, retValue) if at least one block has been executed.
"""
pass
def add_code_cb(pos, cbk, data):
"""Register a callback event for a specific instruction event.
:param pos: Relative position of the event callback (:py:const:`pyqbdi.PREINST` / :py:const:`pyqbdi.POSTINST`).
:param cbk: A function to be called back.
:param data: User defined data passed to the callback.
:returns: The id of the registered instrumentation (or :py:const:`pyqbdi.INVALID_EVENTID` in case of failure).
"""
pass
def add_code_addr_cb(address, pos, cbk, data):
"""Register a callback for when a specific address is executed.
:param address: Code address which will trigger the callback.
:param pos: Relative position of the event callback (:py:const:`pyqbdi.PREINST` / :py:const:`pyqbdi.POSTINST`).
:param cbk: A function to be called back.
:param data: User defined data passed to the callback.
:returns: The id of the registered instrumentation (or :py:const:`pyqbdi.INVALID_EVENTID` in case of failure).
"""
pass
def add_code_range_cb(start, end, pos, cbk, data):
"""Register a callback for when a specific address range is executed.
:param start: Start of the address range which will trigger the callback.
:param end: End of the address range which will trigger the callback.
:param pos: Relative position of the event callback (:py:const:`pyqbdi.PREINST` / :py:const:`pyqbdi.POSTINST`).
:param cbk: A function to be called back.
:param data: User defined data passed to the callback.
:returns: The id of the registered instrumentation (or :py:const:`pyqbdi.INVALID_EVENTID` in case of failure).
"""
pass
def add_mnemonic_cb(mnemonic, pos, cbk, data):
"""Register a callback event if the instruction matches the mnemonic.
:param mnemonic: Mnemonic to match.
:param pos: Relative position of the event callback (:py:const:`pyqbdi.PREINST` / :py:const:`pyqbdi.POSTINST`).
:param cbk: A function to be called back.
:param data: User defined data passed to the callback.
:returns: The id of the registered instrumentation (or :py:const:`pyqbdi.INVALID_EVENTID` in case of failure).
"""
pass
def delete_instrumentation(id):
"""Remove an instrumentation.
:param id: The id of the instrumentation to remove.
:returns: True if instrumentation has been removed.
"""
pass
def delete_all_instrumentations():
"""Remove all the registered instrumentations.
"""
pass
def add_mem_addr_cb(address, type, cbk, data):
"""Add a virtual callback which is triggered for any memory access at a specific address matching the access type. Virtual callbacks are called via callback forwarding by a gate callback triggered on every memory access. This incurs a high performance cost.
:param address: Code address which will trigger the callback.
:param type: A mode bitfield: either :py:const:`pyqbdi.MEMORY_READ`, :py:const:`pyqbdi.MEMORY_WRITE` or both (:py:const:`pyqbdi.MEMORY_READ_WRITE`).
:param cbk: A function to be called back.
:param data: User defined data passed to the callback.
:returns: The id of the registered instrumentation (or :py:const:`pyqbdi.INVALID_EVENTID` in case of failure).
"""
pass
def add_mem_range_cb(start, end, type, cbk, data):
"""Add a virtual callback which is triggered for any memory access in a specific address range matching the access type. Virtual callbacks are called via callback forwarding by a gate callback triggered on every memory access. This incurs a high performance cost.
:param start: Start of the address range which will trigger the callback.
:param end: End of the address range which will trigger the callback.
:param type: A mode bitfield: either :py:const:`pyqbdi.MEMORY_READ`, :py:const:`pyqbdi.MEMORY_WRITE` or both (:py:const:`pyqbdi.MEMORY_READ_WRITE`).
:param cbk: A function to be called back.
:param data: User defined data passed to the callback.
:returns: The id of the registered instrumentation (or :py:const:`pyqbdi.INVALID_EVENTID` in case of failure).
"""
pass
def add_mem_access_cb(type, cbk, data):
"""Register a callback event for every memory access matching the type bitfield made by an instruction.
:param type: A mode bitfield: either :py:const:`pyqbdi.MEMORY_READ`, :py:const:`pyqbdi.MEMORY_WRITE` or both (:py:const:`pyqbdi.MEMORY_READ_WRITE`).
:param cbk: A function to be called back.
:param data: User defined data passed to the callback.
:returns: The id of the registered instrumentation (or :py:const:`pyqbdi.INVALID_EVENTID` in case of failure).
"""
pass
def record_memory_access(type):
"""Add instrumentation rules to log memory access using inline instrumentation and instruction shadows.
:param type: Memory mode bitfield to activate the logging for: either :py:const:`pyqbdi.MEMORY_READ`, :py:const:`pyqbdi.MEMORY_WRITE` or both (:py:const:`pyqbdi.MEMORY_READ_WRITE`).
:returns: True if inline memory logging is supported, False if not or in case of error.
"""
pass
def get_inst_analysis(type):
""" Obtain the analysis of an instruction metadata. Analysis results are cached in the VM. The validity of the returned object is only guaranteed until the end of the callback, else a deepcopy of the object is required.
:param type: Properties to retrieve during analysis (pyqbdi.ANALYSIS_INSTRUCTION, pyqbdi.ANALYSIS_DISASSEMBLY, pyqbdi.ANALYSIS_OPERANDS, pyqbdi.ANALYSIS_SYMBOL).
:returns: A :py:class:`InstAnalysis` object containing the analysis result.
"""
pass
def get_inst_memory_access():
"""Obtain the memory accesses made by the last executed instruction.
:returns: A list of memory accesses (:py:class:`MemoryAccess`) made by the instruction.
"""
pass
def get_bb_memory_access():
"""Obtain the memory accesses made by the last executed basic block.
:returns: A list of memory accesses (:py:class:`MemoryAccess`) made by the basic block.
"""
pass
def precache_basic_block(pc):
"""Pre-cache a known basic block
:param pc: Start address of a basic block
:returns: True if basic block has been inserted in cache.
"""
pass
def clear_cache(start, end):
"""Clear a specific address range from the translation cache.
:param start: Start of the address range to clear from the cache.
:param end: End of the address range to clear from the cache.
"""
pass
def clear_all_cache():
"""Clear the entire translation cache.
"""
pass
def add_vm_event_cb(mask, cbk, data):
"""Register a callback event for a specific VM event.
:param mask: A mask of VM event type which will trigger the callback.
:param cbk: A function to be called back.
:param data: User defined data passed to the callback.
:returns: The id of the registered instrumentation (or :py:const:`pyqbdi.INVALID_EVENTID` in case of failure).
"""
pass
def add_instrumented_module(name):
"""Add the executable address ranges of a module to the set of instrumented address ranges.
:param name: The module's name.
:returns: True if at least one range was added to the instrumented ranges.
"""
pass
def add_instrumented_module_from_addr(addr):
""" Add the executable address ranges of a module to the set of instrumented address ranges using an address belonging to the module.
:param addr: An address contained by module's range.
:returns: True if at least one range was added to the instrumented ranges.
"""
pass
def add_instrumented_range(start, end):
"""Add an address range to the set of instrumented address ranges.
:param start: Start address of the range (included).
:param end: End address of the range (excluded).
"""
pass
def instrument_all_executable_maps():
"""Adds all the executable memory maps to the instrumented range set.
:returns: True if at least one range was added to the instrumented ranges.
"""
pass
def remove_all_instrumented_ranges():
"""Remove all instrumented ranges.
"""
pass
def remove_instrumented_module(name):
"""Remove the executable address ranges of a module from the set of instrumented address ranges.
:param name: The module's name.
:returns: True if at least one range was removed from the instrumented ranges.
"""
pass
def remove_instrumented_module_from_addr(addr):
"""Remove the executable address ranges of a module from the set of instrumented address ranges using an address belonging to the module.
:param addr: An address contained by module's range.
:returns: True if at least one range was removed from the instrumented ranges.
"""
pass
def remove_instrumented_range(start, end):
"""Remove an address range from the set of instrumented address ranges.
:param start: Start address of the range (included).
:param end: End address of the range (excluded).
"""
pass
def aligned_alloc(size, align):
"""Allocate a block of memory of a specified sized with an aligned base address.
:param size: Allocation size in bytes.
:param align: Base address alignement in bytes.
:returns: Pointer to the allocated memory (as a long) or NULL in case an error was encountered.
"""
pass
def aligned_free():
"""
"""
pass
def allocate_virtual_stack(ctx, stackSize):
"""Allocate a new stack and setup the GPRState accordingly.
The allocated stack needs to be freed with alignedFree().
:param ctx: GPRState which will be setup to use the new stack.
:param stackSize: Size of the stack to be allocated.
:returns: A tuple (bool, stack) where 'bool' is true if stack allocation was successfull. And 'stack' the newly allocated stack pointer.
"""
pass
def simulate_call(ctx, returnAddress, args):
"""Simulate a call by modifying the stack and registers accordingly.
:param ctx: GPRState where the simulated call will be setup. The state needs to point to a valid stack for example setup with allocateVirtualStack().
:param returnAddress: Return address of the call to simulate.
:param args: A list of arguments.
"""
pass
def get_module_names():
""" Get a list of all the module names loaded in the process memory.
:returns: A list of strings, each one containing the name of a loaded module.
"""
pass
def get_current_process_maps():
""" Get a list of all the memory maps (regions) of the current process.
:returns: A list of :py:class:`MemoryMap` object.
"""
pass
def read_memory(address, size):
"""Read a memory content from a base address.
:param address: Base address
:param size: Read size
:returns: Bytes of content.
.. warning::
This API is hazardous as the whole process memory can be read.
"""
pass
def write_memory(address, bytes):
"""Write a memory content to a base address.
:param address: Base address
:param bytes: Memory content
.. warning::
This API is hazardous as the whole process memory can be written.
"""
pass
def decode_float(val):
""" Decode a float stored as a long.
:param val: Long value.
"""
pass
def encode_float(val):
"""Encode a float as a long.
:param val: Float value
"""
pass
class Memorymap:
""" Map of a memory area (region).
"""
range = (0, 65535)
' A range of memory (region), delimited between a start and an (excluded) end address. '
permission = 0
' Region access rights (PF_READ, PF_WRITE, PF_EXEC). '
name = ''
' Region name (useful when a region is mapping a module). '
class Instanalysis:
""" Object containing analysis results of an instruction provided by the VM.
"""
mnemonic = ''
' LLVM mnemonic (warning: None if !ANALYSIS_INSTRUCTION) '
address = 0
' Instruction address '
inst_size = 0
' Instruction size (in bytes) '
affect_control_flow = False
' true if instruction affects control flow '
is_branch = False
" true if instruction acts like a 'jump' "
is_call = False
" true if instruction acts like a 'call' "
is_return = False
" true if instruction acts like a 'return' "
is_compare = False
' true if instruction is a comparison '
is_predicable = False
' true if instruction contains a predicate (~is conditional) '
may_load = False
" true if instruction 'may' load data from memory "
may_store = False
" true if instruction 'may' store data to memory "
disassembly = ''
' Instruction disassembly (warning: None if !ANALYSIS_DISASSEMBLY) '
num_operands = 0
' Number of operands used by the instruction '
operands = []
' A list of :py:class:`OperandAnalysis` objects.\n (warning: empty if !ANALYSIS_OPERANDS) '
symbol = ''
' Instruction symbol (warning: None if !ANALYSIS_SYMBOL or not found) '
symbol_offset = 0
' Instruction symbol offset '
module = ''
' Instruction module name (warning: None if !ANALYSIS_SYMBOL or not found) '
class Operandanalysis:
""" Object containing analysis results of an operand provided by the VM.
"""
type = 0
' Operand type (pyqbdi.OPERAND_IMM, pyqbdi.OPERAND_REG, pyqbdi.OPERAND_PRED) '
value = 0
' Operand value (if immediate), or register Id '
size = 0
' Operand size (in bytes) '
reg_off = 0
' Sub-register offset in register (in bits) '
reg_ctx_idx = 0
' Register index in VM state '
reg_name = ''
' Register name '
reg_access = 0
' Register access type (pyqbdi.REGISTER_READ, pyqbdi.REGISTER_WRITE, pyqbdi.REGISTER_READ_WRITE) '
class Vmstate:
""" Object describing the current VM state.
"""
event = 0
' The event(s) which triggered the callback (must be checked using a mask: event & pyqbdi.BASIC_BLOCK_ENTRY). '
basic_block_start = 0
' The current basic block start address which can also be the execution transfer destination. '
basic_block_end = 0
' The current basic block end address which can also be the execution transfer destination. '
sequence_start = 0
' The current sequence start address which can also be the execution transfer destination. '
sequence_end = 0
' The current sequence end address which can also be the execution transfer destination. '
class Memoryaccess:
""" Describe a memory access
"""
inst_address = 0
' Address of instruction making the access. '
access_address = 0
' Address of accessed memory. '
value = 0
' Value read from / written to memory. '
size = 0
' Size of memory access (in bytes). '
type = 0
' Memory access type (pyqbdi.MEMORY_READ, pyqbdi.MEMORY_WRITE, pyqbdi.MEMORY_READ_WRITE). '
gpr_state = None
' GPRState object, a binding to :cpp:type:`QBDI::GPRState`\n'
fpr_state = None
' FPRState object, a binding to :cpp:type:`QBDI::FPRState`\n' |
# -*- coding: utf-8 -*-
"""Scrapy settings."""
BOT_NAME = 'krkbipscraper'
SPIDER_MODULES = ['krkbipscraper.spiders']
NEWSPIDER_MODULE = 'krkbipscraper.spiders'
ITEM_PIPELINES = ['krkbipscraper.pipelines.JsonWriterPipeline']
| """Scrapy settings."""
bot_name = 'krkbipscraper'
spider_modules = ['krkbipscraper.spiders']
newspider_module = 'krkbipscraper.spiders'
item_pipelines = ['krkbipscraper.pipelines.JsonWriterPipeline'] |
def sum_digit(n):
total = 0
while n != 0:
total += n % 10
n /= 10
return total
def factorial(n):
if n <= 0:
return 1
return n * factorial(n - 1)
| def sum_digit(n):
total = 0
while n != 0:
total += n % 10
n /= 10
return total
def factorial(n):
if n <= 0:
return 1
return n * factorial(n - 1) |
# Copyright (c) 2020
# Author: xiaoweixiang
"""Contains purely network-related utilities.
"""
| """Contains purely network-related utilities.
""" |
class Global:
sand_box = True
app_key = None
# your secret
secret = None
callback_url = None
server_url = None
log = None
def __init__(self, config):
Global.sand_box = config.get_env()
Global.app_key = config.get_app_key()
Global.secret = config.get_secret()
Global.callback_url = config.get_callback_url()
Global.log = config.get_log()
@staticmethod
def get_env():
return Global.sand_box
@staticmethod
def get_app_key():
return Global.app_key
@staticmethod
def get_secret():
return Global.secret
@staticmethod
def get_callback_url():
return Global.callback_url
@staticmethod
def get_log():
return Global.log
@staticmethod
def get_server_url():
return Global.server_url
@staticmethod
def get_access_token_url():
return Global.get_server_url() + "/token"
@staticmethod
def get_api_server_url():
return Global.get_server_url() + "/api/v1/"
@staticmethod
def get_authorize_url():
return Global.get_server_url() + "/authorize" | class Global:
sand_box = True
app_key = None
secret = None
callback_url = None
server_url = None
log = None
def __init__(self, config):
Global.sand_box = config.get_env()
Global.app_key = config.get_app_key()
Global.secret = config.get_secret()
Global.callback_url = config.get_callback_url()
Global.log = config.get_log()
@staticmethod
def get_env():
return Global.sand_box
@staticmethod
def get_app_key():
return Global.app_key
@staticmethod
def get_secret():
return Global.secret
@staticmethod
def get_callback_url():
return Global.callback_url
@staticmethod
def get_log():
return Global.log
@staticmethod
def get_server_url():
return Global.server_url
@staticmethod
def get_access_token_url():
return Global.get_server_url() + '/token'
@staticmethod
def get_api_server_url():
return Global.get_server_url() + '/api/v1/'
@staticmethod
def get_authorize_url():
return Global.get_server_url() + '/authorize' |
DEFAULT_KUBE_VERSION=1.14
KUBE_VERSION="kubeVersion"
USER_ID="userId"
DEFAULT_USER_ID=1
CLUSTER_NAME="clusterName"
CLUSTER_MASTER_IP="masterHostIP"
CLUSTER_WORKER_IP_LIST="workerIPList"
FRAMEWORK_TYPE= "frameworkType"
FRAMEWORK_VERSION="frameworkVersion"
FRAMEWORK_RESOURCES="frameworkResources"
FRAMEWORK_VOLUME_SIZE= "storageVolumeSizegb"
FRAMEWORK_ASSIGN_DPU_TYPE= "dpuType"
FRAMEWORK_ASSIGN_DPU_COUNT= "count"
FRAMEWORK_INSTANCE_COUNT="instanceCount"
FRAMEWORK_SPEC="spec"
FRAMEWORK_IMAGE_NAME="imageName"
FRAMEWORK_DPU_ID="dpuId"
FRAMEWORK_DPU_COUNT="count"
CLUSTER_ID="clusterId"
FRAMEWORK_DEFAULT_PVC="/home/user/"
DEFAULT_FRAMEWORK_TYPE="POLYAXON"
DEFAULT_FRAMEWORK_VERSION="0.4.4"
POLYAXON_TEMPLATE="templates/polyaxon_config"
POLYAXON_CONFIG_FILE="/home/user/polyaxonConfig.yaml"
POLYAXON_DEFAULT_NAMESPACE="polyaxon"
TENSORFLOW_TEMPLATE="templates/tensorflow-gpu"
DEFAULT_PATH="/home/user/"
##########Cluster Info####################
POD_IP="podIp"
POD_STATUS="podStatus"
POD_HOST_IP="hostIp"
##########End Of Cluster Info####################
PVC_MAX_ITERATIONS=50
SLEEP_TIME=5
GLUSTER_DEFAULT_MOUNT_PATH="/volume"
CONTAINER_VOLUME_PREFIX="volume"
MAX_RETRY_FOR_CLUSTER_FORM=10
##############Cluster Related ####################33
CLUSTER_NODE_READY_COUNT=60
CLUSTER_NODE_READY_SLEEP=6
CLUSTER_NODE_NAME_PREFIX="worker"
NO_OF_GPUS_IN_GK210_K80=2
POLYAXON_NODE_PORT_RANGE_START=30000
POLYAXON_NODE_PORT_RANGE_END=32767
DEFAULT_CIDR="10.244.0.0/16"
GFS_STORAGE_CLASS="glusterfs"
GFS_STORAGE_REPLICATION="replicate:2"
HEKETI_REST_URL="http://10.138.0.2:8080"
DEFAULT_VOLUME_MOUNT_PATH="/volume"
GLUSTER_DEFAULT_REP_FACTOR=2
POLYAXON_DEFAULT_HTTP_PORT=80
POLYAXON_DEFAULT_WS_PORT=1337
SUCCESS_MESSAGE_STATUS="SUCCESS"
ERROR_MESSAGE_STATUS="SUCCESS"
ROLE="role"
IP_ADDRESS="ipAddress"
INTERNAL_IP_ADDRESS="internalIpAddress"
ADD_NODE_USER_ID="hostUserId"
ADD_NODE_PASSWORD="password"
####Polyaxon GetClusterInfo###
QUOTA_NAME="quotaName"
QUOTA_USED="used"
QUOTA_LIMIT="limit"
DEFAULT_QUOTA="default"
VOLUME_NAME="volumeName"
MOUNT_PATH_IN_POD="volumePodMountPath"
VOLUME_TOTAL_SIZE="totalSize"
VOLUME_FREE="free"
NVIDIA_GPU_RESOURCE_NAME="requests.nvidia.com/gpu"
EXECUTOR="executor"
MASTER_IP="masterIP"
GPU_COUNT="gpuCount"
NAME="name"
KUBE_CLUSTER_INFO="kubeClusterInfo"
ML_CLUSTER_INFO="mlClusterInfo"
POLYAXON_DEFAULT_USER_ID="root"
POLYAXON_DEFAULT_PASSWORD="rootpassword"
POLYAXON_USER_ID="polyaxonUserId"
POLYAXON_PASSWORD="polyaxonPassword"
DEFAULT_DATASET_VOLUME_NAME="vol_f37253d9f0f35868f8e3a1d63e5b1915"
DEFAULT_DATASET_MOUNT_PATH="/home/user/dataset"
DEFAULT_CLUSTER_VOLUME_MOUNT_PATH="/home/user/volume"
DEFAULT_GLUSTER_SERVER="10.138.0.2"
DEFAULT_DATASET_VOLUME_SIZE="10Gi"
CLUSTER_VOLUME_MOUNT_PATH="volumeHostMountPath"
DATASET_VOLUME_MOUNT_POINT="dataSetVolumemountPointOnHost"
DATASET_VOLUME_MOUNT_PATH_IN_POD_REST= "volumeDataSetPodMountPoint"
DATASET_VOLUME_MOUNT_PATH_IN_POD="/dataset"
DYNAMIC_GLUSTERFS_ENDPOINT_STARTS_WITH="glusterfs-dynamic-" | default_kube_version = 1.14
kube_version = 'kubeVersion'
user_id = 'userId'
default_user_id = 1
cluster_name = 'clusterName'
cluster_master_ip = 'masterHostIP'
cluster_worker_ip_list = 'workerIPList'
framework_type = 'frameworkType'
framework_version = 'frameworkVersion'
framework_resources = 'frameworkResources'
framework_volume_size = 'storageVolumeSizegb'
framework_assign_dpu_type = 'dpuType'
framework_assign_dpu_count = 'count'
framework_instance_count = 'instanceCount'
framework_spec = 'spec'
framework_image_name = 'imageName'
framework_dpu_id = 'dpuId'
framework_dpu_count = 'count'
cluster_id = 'clusterId'
framework_default_pvc = '/home/user/'
default_framework_type = 'POLYAXON'
default_framework_version = '0.4.4'
polyaxon_template = 'templates/polyaxon_config'
polyaxon_config_file = '/home/user/polyaxonConfig.yaml'
polyaxon_default_namespace = 'polyaxon'
tensorflow_template = 'templates/tensorflow-gpu'
default_path = '/home/user/'
pod_ip = 'podIp'
pod_status = 'podStatus'
pod_host_ip = 'hostIp'
pvc_max_iterations = 50
sleep_time = 5
gluster_default_mount_path = '/volume'
container_volume_prefix = 'volume'
max_retry_for_cluster_form = 10
cluster_node_ready_count = 60
cluster_node_ready_sleep = 6
cluster_node_name_prefix = 'worker'
no_of_gpus_in_gk210_k80 = 2
polyaxon_node_port_range_start = 30000
polyaxon_node_port_range_end = 32767
default_cidr = '10.244.0.0/16'
gfs_storage_class = 'glusterfs'
gfs_storage_replication = 'replicate:2'
heketi_rest_url = 'http://10.138.0.2:8080'
default_volume_mount_path = '/volume'
gluster_default_rep_factor = 2
polyaxon_default_http_port = 80
polyaxon_default_ws_port = 1337
success_message_status = 'SUCCESS'
error_message_status = 'SUCCESS'
role = 'role'
ip_address = 'ipAddress'
internal_ip_address = 'internalIpAddress'
add_node_user_id = 'hostUserId'
add_node_password = 'password'
quota_name = 'quotaName'
quota_used = 'used'
quota_limit = 'limit'
default_quota = 'default'
volume_name = 'volumeName'
mount_path_in_pod = 'volumePodMountPath'
volume_total_size = 'totalSize'
volume_free = 'free'
nvidia_gpu_resource_name = 'requests.nvidia.com/gpu'
executor = 'executor'
master_ip = 'masterIP'
gpu_count = 'gpuCount'
name = 'name'
kube_cluster_info = 'kubeClusterInfo'
ml_cluster_info = 'mlClusterInfo'
polyaxon_default_user_id = 'root'
polyaxon_default_password = 'rootpassword'
polyaxon_user_id = 'polyaxonUserId'
polyaxon_password = 'polyaxonPassword'
default_dataset_volume_name = 'vol_f37253d9f0f35868f8e3a1d63e5b1915'
default_dataset_mount_path = '/home/user/dataset'
default_cluster_volume_mount_path = '/home/user/volume'
default_gluster_server = '10.138.0.2'
default_dataset_volume_size = '10Gi'
cluster_volume_mount_path = 'volumeHostMountPath'
dataset_volume_mount_point = 'dataSetVolumemountPointOnHost'
dataset_volume_mount_path_in_pod_rest = 'volumeDataSetPodMountPoint'
dataset_volume_mount_path_in_pod = '/dataset'
dynamic_glusterfs_endpoint_starts_with = 'glusterfs-dynamic-' |
# Python3
def makeArrayConsecutive2(statues):
return (max(statues) - min(statues) + 1) - len(statues)
| def make_array_consecutive2(statues):
return max(statues) - min(statues) + 1 - len(statues) |
"""from django.contrib import admin
from .models import DemoModel
admin.site.register(DemoModel)"""
| """from django.contrib import admin
from .models import DemoModel
admin.site.register(DemoModel)""" |
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