semvec/pypi-packages huggingface dataset:
genice2-rdf 2.1
RDF format plugin for GenIce.
License: MIT
Keywords: genice,RDF

# [genice2-rdf](https://github.com/vitroid/genice-rdf/)

A [GenIce2](https://github.com/vitroid/GenIce) format plugin to calculate radial distribution functions.

version 2.1

## Requirements


* PairList>=0.2.11.1
* GenIce2>=2.1b2

## Installation from PyPI

```shell
% pip install genice2-rdf
```

## Manual Installation

### System-wide installation

```shell
% make install
```

### Private installation

Copy the files in genice2_rdf/formats/ into your local formats/ folder.

## Usage
        
    Usage:
        % genice 1c -r 3 3 3 -w tip4p -f _RDF > 1c.rdf
        % genice 1c -r 3 3 3 -w tip4p -f _RDF[OW:H=HW1=HW2] > 1c.rdf
        % analice data.gro  -O OW -H HW[12] -w tip3p -f _RDF[OW:HW1=HW2] > data.rdf

    Options:
        Atom name
        Atom name and aliases chained with "=".
        json      Output in JSON format.
        range=x   Range of interest (0.9 nm)
        binw=x    Bin width (0.003 nm)

    Options must be separated with colons.

    You can specify the list of atom types to be calculated.

    For example, in the following case, TIP4P water has four different atom
    types (OW, HW1, HW2, and MW), so all the possible 10 combinations of
    atom types will be examined.

        % genice 1c -r 3 3 3 -w tip4p -f _RDF > 1c.rdf

    If you just want the RDF of OW and H, and HW1 and HW2 should be
    abbreviated by H, specify the option string like following.

        % genice 1c -r 3 3 3 -w tip4p -f _RDF[OW:H=HW1=HW2] > 1c.rdf


## Test in place

```shell
% make test
```
win32fastutils 0.1.1
Collection of win32 related utils.
License: MIT
Keywords: win32fastutils

# win32fastutils

Collection of win32 related utils.

## Installed Utils

- win32fastutils.consoleutils
    - ResetableAttachConsole
    - ReadConsoleOutputText
- win32fastutils.guiutils
    - PostMessage
    - GetHwndsByProcessIds
    - GetExplorerHwnds
    - GetExplorerProcessIds
- win32fastutils.py32fix
    - iswin32
    - DisableFileSystemRedirection

## Usage Examples

### Example 1: Read console output

**examples/read_console_output.py**

```
import uuid
import time
import subprocess

from win32fastutils import consoleutils

CMD = "C:\\Windows\\System32\\cmd.exe"

msg1 = str(uuid.uuid4())
proc = subprocess.Popen([CMD, "/C", "echo", msg1, "&&", "timeout", "2"], creationflags=subprocess.CREATE_NEW_CONSOLE)
time.sleep(1)
result = ""
with consoleutils.ResetableAttachConsole(proc.pid):
    result = consoleutils.ReadConsoleOutputText()
print(result)
```

**result output**

```
C:\workspace\win32fastutils>python examples\read_console_output.py
8a3d81ac-9f59-4066-8206-86cee8101f8c <Note: a lot of space here....>

等待 1 秒，按一个键继续 ...
```

### Example 2: Press ENTER to end the timeout waiting

**examples/press_enter_to_end_time_timeout_waiting.py**
```
import uuid
import time
import datetime
import subprocess

from win32fastutils import guiutils

CMD = "C:\\Windows\\System32\\cmd.exe"

print("start", datetime.datetime.now())
msg1 = str(uuid.uuid4())
proc = subprocess.Popen([CMD, "/C", "echo", msg1, "&&", "timeout", "20"], creationflags=subprocess.CREATE_NEW_CONSOLE) # wait for 20 seconds
time.sleep(1)
hwnds = guiutils.GetHwndsByProcessIds(proc.pid)

guiutils.PostMessage(hwnds[0], "\n") # press ENTER to end the timeout waiting
proc.wait()
print("end  ", datetime.datetime.now())
```

**result output**

```
C:\workspace\win32fastutils>python examples\press_enter_to_end_the_timeout_waiting.py
start 2022-02-17 17:01:15.115822
end   2022-02-17 17:01:16.210102
```

### Example 3: Using 32bit-version-python  in 64bit-version-windows, we can NOT access files under folder C:\\Windows\\System32, How to fix the problem?

```
import os
from win32fastutils import py32fix

SSH = "C:\\Windows\\System32\\OpenSSH\\ssh.exe"

print("Access directly result:", os.path.exists(SSH))

with py32fix.DisableFileSystemRedirection():
    print("Access in fixed scope: ", os.path.exists(SSH))
```

**result output**

```
C:\workspace\win32fastutils>python examples\32bit_python_access_application_under_system.py
Access directly result: False
Access in fixed scope:  True
```


## Releases

### v0.1.0

- First release.

### v0.1.1

- Add psutil in requirements.txt.