semvec/pypi-packages huggingface dataset:
genice2-cif 2.2.1
CIF reader plugin for GenIce2.
License: MIT
Requires Python: <4.0,>=3.9

![Logo](https://raw.githubusercontent.com/vitroid/GenIce/develop/logo/genice-v0.png)

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

A loader plugin for [GenIce2](https://github.com/vitroid/GenIce) to read CIF file or to obtain structures in [Zeolite DB](https://www.iza-structure.org/databases/).

version 2.2.1

## Requirements

\* python^3.9
\* cif2ice>=0.3.0
\* GenIce2^2.2.5.2
\* validators*


## Installation from PyPI

```shell
% pip install genice2-cif
```

## Usage

    A loader plugin for GenIce2 to read CIF file or to obtain structures in Zeolite DB.

    * To convert a local cif file to Gromacs format,

        % genice2 cif[RHO.cif] > RHO.gro
        % genice2 cif[ice.cif:O=O] > RHO.gro   # Specify the tetrahedral atom type ()

      * Options:

        * filename: A CIF file.
        * O=M:      Regards the atom type M as the position of a water molecule.
                    (Default is "TS" (Tetrahedral hypothetical element "T" or "S"ilica, and "O" is ignored.))

    * Some zeolites share the network topology with low-density ices. If you want to retrieve a zeolite ITT structure from [IZA structure database](http://www.iza-structure.org/databases) to prepare a low-density ice, try the following command:

        % genice2 zeolite[ITT] > ITT.gro


## Test in place

```shell
% make test
```

## Todos

- 原子数が 0 の時にはヒントを表示する。
pythonz 0.2.1
Python but it's Z
License: MIT
Requires Python: >=3.8

# pythonz

pythonz is a package to make your python coding experience more powerful.

# example

```python
from functools import partial
from pythonz import pipe, symbol, Maybe

__empty__ = symbol("empty")


def find(fn, itr, default=__empty__):
    try:
        return (
                pipe(itr)
                / partial(filter, fn)
                / next
                // Maybe.just
        )
    except StopIteration:
        if default is __empty__:
            return Maybe.nothing()
        return Maybe.just(default)


# a = pipe(5).and_then(range).then_finally(list) 
a = pipe(5) / range // list  # [0, 1, 2, 3, 4] 
b = find(lambda x: x % 2 == 1, a).unwrap()  # 1
c = find(lambda x: x > 4, a)  # Maybe.None()
```
pythonz_enum 0.2.1
enums for pythonz
License: MIT
Requires Python: >=3.8

# pythonz_enum

implementation of rust-like value holding enums

# example

```python
from pythonz_enum import Maybe


def find(predicate, iter_):
    try:
        return Maybe.just(next(filter(predicate, iter_)))
    except StopIteration:
        return Maybe.nothing()


find(lambda a: a is not None, [None, 2, 3])  # Maybe.Just(2)
```