semvec/pypi-packages huggingface dataset:
falass 1.0.8
Neutron and X-ray Reflectometry from Computer Simulation
License: MIT

### falass

falass is a pure python library for the calculation of neutron and X-ray reflectometry data from molecular simulation. Currently we support GROMACS output pdb structures, using the `trjconv` command. It is also necessary to know the scattering length of the atoms or beads in your system. For all the elements these can be found freely online. falass will slice your simulation cell into a series of layers and calculate the reflectometry from the Abele matrix formalism. An example Jupyter notebook and dataset is available in the 'example' directory which shows a typical usage of falass.

#### Documentation

API-level documentation is available at: [http://falass.readthedocs.io/en/latest/](http://falass.readthedocs.io/en/latest/) 

#### Install

Either clone the repository and install with:

```
python setup.py build

python setup.py install 

python setup.py test
```

Or get a build from pip with:

`pip install falass`

[![Build Status](https://travis-ci.org/arm61/falass.svg?branch=0.0.2)](https://travis-ci.org/arm61/falass)
[![Coverage Status](https://coveralls.io/repos/github/arm61/falass/badge.svg?branch=master)](https://coveralls.io/github/arm61/falass?branch=master)
[![DOI](https://zenodo.org/badge/112358527.svg)](https://zenodo.org/badge/latestdoi/112358527)
ordering 0.2.0
A data structure to impose a total order on a collection of objects
License: MIT
Requires Python: >=3.6
Keywords: order,ordering

Python Order Maintenance
========================

A data structure to `impose a total order <https://en.wikipedia.org/wiki/Order-maintenance_problem>`_ on a collection of objects.

Dependencies
------------

``ordering`` requires Python 3.6+.
If the type hints were removed, it would probably work in earlier versions, as well.

Usage
-----

An ordering is represented by an Ordering object.
The order may be different to the usual order between objects, or even between objects that are not normally comparable.

.. code:: python

    >>> from ordering import Ordering
    >>> order = Ordering([2, 0, 1])

We can then compare the objects in our ordering, to check if the first object comes before the second in the order.

.. code:: python

    >>> order.compare(0, 1) # 1 after 0
    True
    >>> order.compare(0, 2) # 2 before 0
    False

Our ordering is mutable, and we can add elements on either end, or immediately before or after an existing element.

.. code:: python

    >>> order.insert_end(3) # Add 3 on the end
    >>> order.compare(1, 3) # 3 after 1
    True

    >>> order.insert_after(0, 4) # Insert 4 immediately after 0
    >>> order.compare(0, 4) # 4 after 0
    True
    >>> order.compare(1, 4) # 4 before 1
    False

Orderings are iterable, yielding their items in order.

.. code:: python

    >>> list(order)
    [2, 0, 4, 1, 3]

And can be used as a key in sorting functions, to sort with respect to that order.

.. code:: python

    >>> sorted(range(3), key=order)
    [2, 0, 1]
pytl 0.2.4
Command line tool that parses python file, enumerates classes and methods as a tree structure.
License: MIT
Keywords: Python file structure tree line

pytl
====
[![0.2.4](https://img.shields.io/badge/pypi-0.2.4-brightgreen.svg)](https://pypi.python.org/pypi/pytl/)
[![MIT License](http://img.shields.io/badge/license-MIT-blue.svg?style=flat)](https://github.com/ryo-ma/pytl/blob/master/LICENSE)

## Overview

Command line tool that parses python file, enumerates classes and methods as a tree structure.


## Usage

``` bash
$ pytl test.py

 2: class Test
 3:   |_def __init__(self)
 6:   |_def walk(self, distance)
 9:   |_def stop(self)
12: def method1()
13:   |_def method2()
14:     |_def method3()
15:       |_def method4()
18: def main()

```

Show only the def line

``` bash
$ pytl test.py -d

 3: def __init__(self)
 6: def walk(self, distance)
 9: def stop(self)
12: def method1()
13:   |_def method2()
14:     |_def method3()
15:       |_def method4()
18: def main()

```

Show only the class line

``` bash
$ pytl test.py -c

 2: class Test

```


## Install

``` bash
$ pip install pytl
```

## Licence

[MIT](https://github.com/ryo-ma/pytl/blob/master/LICENSE)