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Update the output header
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+28
-12
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2 files changed

+28
-12
lines changed

overreact/__init__.py

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@@ -30,25 +30,32 @@
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__version__ = _pkg_resources.get_distribution(__name__).version
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__license__ = "MIT" # I'm too lazy to get it from setup.py...
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__headline__ = "📈 Create and analyze chemical microkinetic models built from computational chemistry data."
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__url_repo__ = "https://github.com/geem-lab/overreact"
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__url_issues__ = f"{__url_repo__}/issues"
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__url_discussions__ = f"{__url_repo__}/discussions"
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__url_pypi__ = "https://pypi.org/project/overreact/"
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__url_guide__ = "https://geem-lab.github.io/overreact-guide/"
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__doi__ = "10.5281/ZENODO.5643960"
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__citation__ = r"""
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@misc{overreact2021,
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howpublished = {\url{https://github.com/geem-lab/overreact}}
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howpublished = {\url{URL_REPO_PLACEHOLDER}},
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year = {2021},
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author = {Schneider, F. S. S. and Caramori, G. F.},
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title = {
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\textbf{geem-lab/overreact}: a tool for creating and analyzing
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microkinetic models built from computational chemistry data, v1.0.1
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},
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doi = {10.5281/ZENODO.5643960},
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doi = {DOI_PLACEHOLDER},
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url = {https://zenodo.org/record/5643960},
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publisher = {Zenodo},
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copyright = {Open Access}
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}
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"""
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__url_pypi__ = "https://pypi.org/project/overreact/"
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__url_guide__ = "https://geem-lab.github.io/overreact-guide/"
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__url_discussions__ = "https://github.com/geem-lab/overreact/discussions"
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__url_issues__ = "https://github.com/geem-lab/overreact/issues"
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__repo__ = "https://github.com/geem-lab/overreact"
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__headline__ = "📈 Create and analyze chemical microkinetic models built from computational chemistry data."
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""".replace(
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"DOI_PLACEHOLDER", __doi__
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).replace(
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"URL_REPO_PLACEHOLDER", __url_repo__
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)

overreact/_cli.py

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@@ -135,10 +135,12 @@ def __rich_console__(self, console, options):
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------
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renderable
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"""
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yield Markdown("---")
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yield from self._yield_scheme()
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yield from self._yield_compounds()
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yield from self._yield_thermochemistry()
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yield from self._yield_kinetics()
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yield Markdown("---")
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def _yield_scheme(self):
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"""Produce a renderables describing the reaction scheme.
@@ -800,16 +802,23 @@ def main(arguments=None):
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{rx.__headline__}
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Licensed under the terms of the
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[{rx.__license__} License]({rx.__repo__}/blob/main/LICENSE).
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[{rx.__license__} License]({rx.__url_repo__}/blob/main/LICENSE).
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If you publish work using this software, **please cite
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[doi:{rx.__doi__}](https://doi.org/{rx.__doi__})**:
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[doi:{rx.__doi__}](https://zenodo.org/badge/latestdoi/214332027)**:
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```
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{rx.__citation__}
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```
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Read the user guide at [{rx.__url_guide__}]({rx.__url_guide__}) for more information
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and usage examples.
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and usage examples. Other useful resources:
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- [Questions and Discussions]({rx.__url_repo__}/discussions)
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- [Bug Tracker]({rx.__url_repo__}/issues)
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- [GitHub Repository]({rx.__url_repo__})
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- [Python Package Index]({rx.__url_pypi__})
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---
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Inputs:
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- Path = {args.path}

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