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Thanks!!
Could you also fix the docstring on line 241 (format to file_format as well)?
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@@ Coverage Diff @@
## master #1802 +/- ##
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Coverage ? 42.74%
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Files ? 81
Lines ? 21078
Branches ? 5491
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Hits ? 9010
Misses ? 11054
Partials ? 1014
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Thanks @alongd. Docstring changed as well. |
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Motivation or Problem
One of the arguments of rmgpy.pdep.draw is renamed from
formattofile_formatin a previous commit, but the corresponding codes are not fully refactorized, causing failures in generating PES figures in png format. This will further hinder the PES from being generated and displayed on the RMG-website.Description of Changes
rename
formattofile_format.Testing
By calling the draw function with
file_format="png", it can generate PES figure in .png format