Metadata-Version: 2.1
Name: zndraw
Version: 0.1.0
Summary: 
License: Apache-2.0
Author: zincwarecode
Author-email: zincwarecode@gmail.com
Requires-Python: >=3.10,<4.0
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Requires-Dist: ase (>=3.22.1,<4.0.0)
Requires-Dist: flask (>=2.2.3,<3.0.0)
Requires-Dist: networkx (>=3.1,<4.0)
Requires-Dist: typer (>=0.7.0,<0.8.0)
Description-Content-Type: text/markdown

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# ZnDraw

Install via ``pip install zndraw``.

## CLI

You can use ZnDraw with the CLI ``zndraw atoms.xyz``.
For a full list of arguments use `zndraw --help`.

To interface with ``zndraw --update-function module.function`` you need to be able to import via ``from module import function``.

The ZnDraw function expects as inputs
- atom_ids: list[int], the ids of the currently selected atoms
- atoms: ase.Atoms, the configuration as `ase.Atoms` file where atom_ids where selected.
and as an output:
- list[ase.Atoms], a list of ase Atoms objects to display.

```python
def function(atom_ids: list[int], atoms: ase.Atoms) -> list[ase.Atoms]:
    ...
```
