Metadata-Version: 2.4
Name: qtdraw
Version: 3.3.0
Summary: 3D drawing tool for molecules and crystals based on Pyvista and PySide6.
Author-email: Hiroaki Kusunose <hiroaki.kusunose@gmail.com>
License-Expression: MPL-2.0
Project-URL: Homepage, https://github.com/CMT-MU/QtDraw
Project-URL: Issues, https://github.com/CMT-MU/QtDraw/issues
Keywords: pyvista,PySide6,multipie
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Visualization
Classifier: Operating System :: Microsoft :: Windows
Classifier: Operating System :: POSIX
Classifier: Operating System :: MacOS
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Requires-Python: >=3.12
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: numpy
Requires-Dist: matplotlib
Requires-Dist: PySide6>=6.9
Requires-Dist: pyvista>=0.46
Requires-Dist: pyvistaqt>=0.13
Requires-Dist: click
Requires-Dist: pymatgen
Requires-Dist: multipie>=2
Requires-Dist: playwright
Provides-Extra: dev
Requires-Dist: black; extra == "dev"
Requires-Dist: ipython; extra == "dev"
Requires-Dist: jupyter-book<2; extra == "dev"
Requires-Dist: ghp-import; extra == "dev"
Requires-Dist: pytest; extra == "dev"
Requires-Dist: pytest-qt; extra == "dev"
Requires-Dist: pytest-xdist; extra == "dev"
Dynamic: license-file

# [QtDraw](https://cmt-mu.github.io/QtDraw/)

3D drawing tool especially for molecules and crystals based on [PyVista](https://docs.pyvista.org/) and [PySide6](https://doc.qt.io/qtforpython-6/index.html).
Drawings are associated with crystallographic symmetry operations provided by [MultiPie](https://github.com/CMT-MU/MultiPie).

- **Authors**: Hiroaki Kusunose

- **Installation**: QtDraw can be installed from PyPI using pip on Python >= 3.12:
  In order to use MathJax rendering for LaTeX, install playwright browser such as chromium.
    ```bash
    pip install qtdraw
    playwright install chromium  # on Linux, also run `playwright install-deps chromium`.
    ```

- **Shell commands**:
  - `qtdraw [filename]` : Open a QtDraw file (`.qtdw`, which may be omitted) or a material file (`.cif`, `.vesta`, `.xsf`).
  - `conv_qtdraw3 ver1_file[.qtdw]` : Convert a version-1 `.qtdw` file to version 3, written as `ver1_file_v3.qtdw` next to it.

- **Requirements**:
  - Symmetry operation supports are provided by [MultiPie](https://github.com/CMT-MU/MultiPie), which is installed together with QtDraw.
  - This project includes [MathJax](https://www.mathjax.org/), which is licensed under the Apache License 2.0.

- **Citing QtDraw and MultiPie**: If you are using QtDraw and/or MultiPie in your scientific research, please help our scientific visibility by citing our work:
    > Hiroaki Kusunose, Rikuto Oiwa, and Satoru Hayami, Symmetry-adapted modeling for molecules and crystals, Phys. Rev. B <b>107</b>, 195118 (2023).<br>
    > DOI: [https://doi.org/10.1103/PhysRevB.107.195118](https://doi.org/10.1103/PhysRevB.107.195118)

- **License**: QtDraw is distributed under the [Mozilla Public License version 2.0 (MPL v2)](https://mozilla.org/MPL/2.0/).
  Versions up to 3.2.0 were distributed under the MIT License. The bundled MathJax keeps its own license (Apache License 2.0).
