diff --git a/overreact/__init__.py b/overreact/__init__.py index df72297..89e155f 100644 --- a/overreact/__init__.py +++ b/overreact/__init__.py @@ -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__ +) diff --git a/overreact/_cli.py b/overreact/_cli.py index 54671e7..0885ead 100644 --- a/overreact/_cli.py +++ b/overreact/_cli.py @@ -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. @@ -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}