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Merge pull request #67 from xiaoruiDong/docs
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Add RDMC logo to README and documentation
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xiaoruiDong committed Sep 13, 2023
2 parents 39a9380 + 99e5d5a commit 5ede6b5
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Showing 7 changed files with 237 additions and 5 deletions.
3 changes: 2 additions & 1 deletion .github/workflows/build_docs.yaml
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push:
branches:
- main
workflow_dispatch:

jobs:
build-documentation:
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run: python -m pip install --no-deps -vv ./

- name: Install sphinx
run: mamba install -y sphinx=7.2.4 pydata-sphinx-theme
run: mamba install -y sphinx=7.2.4 pydata-sphinx-theme sphinx-favicon
# 09/11/2023: sphinx 7.2.5 has an issue with numpy https://github.com/sphinx-doc/sphinx/issues/11662

- name: Mamba info
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5 changes: 3 additions & 2 deletions README.md
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# RDMC (Reaction Data and Molecular Conformer)
![RDMC Logo](docs/source/_static/RDMC_icon.svg)
# Reaction Data and Molecular Conformer

[![Documentation Status](https://readthedocs.org/projects/rdmc/badge/?version=latest)](https://rdmc.readthedocs.io/en/latest/?badge=latest)
[![Documentation](https://github.com/xiaoruiDong/RDMC/actions/workflows/build_docs.yaml/badge.svg)](https://xiaoruidong.github.io/RDMC/)
[![MIT license](http://img.shields.io/badge/license-MIT-brightgreen.svg)](http://opensource.org/licenses/MIT)

A light-weight software package with expertise in handling Reaction Data and Molecular (including transitions states) Conformers.
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217 changes: 217 additions & 0 deletions docs/source/_static/RDMC_icon.svg
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Binary file added docs/source/_static/RDMC_icon_simple_240x240.png
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10 changes: 10 additions & 0 deletions docs/source/conf.py
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'sphinx.ext.napoleon', # support for NumPy and Google style docstrings
'sphinx.ext.todo', # include to do
'sphinx.ext.coverage',
'sphinx_favicon',
]

# Add any paths that contain templates here, relative to this directory.
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html_css_files = [
'custom.css',
]
html_logo = '_static/RDMC_icon.svg'

# Add favicon
favicons = {
"rel": "icon",
"sizes": "240x240",
"href": "RDMC_icon_simple_240x240.png", # use a local file in _static
"type": "image/png"
}

# -- Packages that are not importable from the default environment ---------

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3 changes: 3 additions & 0 deletions docs/source/index.rst
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RDMC Documentation
===================

.. image:: _static/RDMC_icon.svg
:align: center

**RDMC (Reaction Data and Molecular Conformer)** is an open-source lightweight software package specialized in handling Reaction Data and Molecular (including transition states) Conformers.

It contains various modules and classes (e.g., ``RDKitMol``, ``Reaction``, ``view``) helpful for relevant tasks to make conversion, visualization, manipulation, and analysis of molecules easier.
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4 changes: 2 additions & 2 deletions docs/source/reference/rdmc.rst
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rdmc
====
RDMC APIs
=========

.. automodule:: rdmc
:members:
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