Props attribute of Species class#278
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connie merged 6 commits intoReactionMechanismGenerator:masterfrom Aug 27, 2014
Merged
Props attribute of Species class#278connie merged 6 commits intoReactionMechanismGenerator:masterfrom
connie merged 6 commits intoReactionMechanismGenerator:masterfrom
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this allows the user to store user-defined, and arbitrary key-value pairs of his/her choice. Conflicts:[RESOLVED] rmgpy/species.py
…dict this is more flexible than setting it in the constructor to an empty dict. This way, one can also transfer a properties dict from elsewhere. Conflicts:[resolved] rmgpy/species.py
Conflicts:[RESOLVED] rmgpy/rmg/model.py
testing if props attribute is a dictionary, and if dictionary entries are properly stored.
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FYI, the name of the pull request branch has refactor in there, but nothing is really refactored, after some consideration. See #252. |
connie
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Aug 27, 2014
Add props dictionary attribute to the Species class for storing various user-defined properties.
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This introduces a generic 'properties' dictionary called
propsin the Species object.The attribute is optional and initialized to an empty dict.
The attribute is also cythonized.
RMG minimal, and TDE examples are run without error.
Do not forget to
make clean;makebefore testing this out.