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Update the output header
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schneiderfelipe committed Nov 25, 2021
1 parent c838874 commit 15dc14d
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Showing 2 changed files with 28 additions and 12 deletions.
25 changes: 16 additions & 9 deletions overreact/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -30,25 +30,32 @@

__version__ = _pkg_resources.get_distribution(__name__).version
__license__ = "MIT" # I'm too lazy to get it from setup.py...

__headline__ = "📈 Create and analyze chemical microkinetic models built from computational chemistry data."

__url_repo__ = "https://github.com/geem-lab/overreact"
__url_issues__ = f"{__url_repo__}/issues"
__url_discussions__ = f"{__url_repo__}/discussions"
__url_pypi__ = "https://pypi.org/project/overreact/"
__url_guide__ = "https://geem-lab.github.io/overreact-guide/"

__doi__ = "10.5281/ZENODO.5643960"
__citation__ = r"""
@misc{overreact2021,
howpublished = {\url{https://github.com/geem-lab/overreact}}
howpublished = {\url{URL_REPO_PLACEHOLDER}},
year = {2021},
author = {Schneider, F. S. S. and Caramori, G. F.},
title = {
\textbf{geem-lab/overreact}: a tool for creating and analyzing
microkinetic models built from computational chemistry data, v1.0.1
},
doi = {10.5281/ZENODO.5643960},
doi = {DOI_PLACEHOLDER},
url = {https://zenodo.org/record/5643960},
publisher = {Zenodo},
copyright = {Open Access}
}
"""
__url_pypi__ = "https://pypi.org/project/overreact/"
__url_guide__ = "https://geem-lab.github.io/overreact-guide/"
__url_discussions__ = "https://github.com/geem-lab/overreact/discussions"
__url_issues__ = "https://github.com/geem-lab/overreact/issues"
__repo__ = "https://github.com/geem-lab/overreact"
__headline__ = "📈 Create and analyze chemical microkinetic models built from computational chemistry data."
""".replace(
"DOI_PLACEHOLDER", __doi__
).replace(
"URL_REPO_PLACEHOLDER", __url_repo__
)
15 changes: 12 additions & 3 deletions overreact/_cli.py
Original file line number Diff line number Diff line change
Expand Up @@ -135,10 +135,12 @@ def __rich_console__(self, console, options):
------
renderable
"""
yield Markdown("---")
yield from self._yield_scheme()
yield from self._yield_compounds()
yield from self._yield_thermochemistry()
yield from self._yield_kinetics()
yield Markdown("---")

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