Writing documentation for the OpenBabel Converter #20
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Hello @lunamorrow! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found: There are currently no PEP 8 issues detected in this Pull Request. Cheers! 🍻 Comment last updated at 2024-10-25 00:56:32 UTC |
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Nice start Luna 💪 Even if the OB docs is not fully functional, I'd add after this line the link to OB so that if/when they fix it any mention of OB classes in your docs will be displayed as a link to users. Also have a look at the lines flagged by the pep8 bot, it seems that you have a few whitespaces at the end of some of the lines, would be nice to clean these up as well. |
mda_openbabel_converter/OpenBabel.py
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| """ | |||
| Documentation... | |||
| # -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*- | |||
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I don't personally think all this boilerplate (copyright, authors, citation...etc.) is necessary in an MDAKit? This is technically a separate package with its own set of authors, license...etc. so should be ok to remove. Same comment for the parser and tests files
| Inherits from TopologyReaderBase and converts an OpenBabel OBMol to a | ||
| MDAnalysis Topology or adds it to a pre-existing Topology. This parser | ||
| does not work in the reverse direction. | ||
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| For use examples, please see OpenBabel Class documentation |
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Could you replace OpenBabel with the :class: syntax so it automatically makes a hyperlink in the docs?
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@cbouy I have made changes. Could you please review when possible so we can merge? Thanks :) |
Awesome! Yes I will figure out that Getting started page as it is looking a bit bleak currently! Made a new issue for this so I can target it later :) |
In reference to #3 and building on top of #19. Documentation fully written for the Reader and Parser. Only a scaffold has been added for the Converter - will be expanded on once it is implemented.