Add option to instantiate MolFileReader with mol str - Githubissues

BTheDragonMaster / pikachu

Python-based Informatics Kit for Analysing Chemical Units

MIT License

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Add option to instantiate MolFileReader with mol str #4

Closed OBrink closed 2 years ago

OBrink commented 2 years ago

Added a convenience function:

Added the option to instantiate MolFileReader with the String content of a molfile instead of the path of the molfile
Everything else should behave the same way, the constructor of MolFileReader now simply also accepts and processes the argument molfile_str if the normal "molfile" argument is not given
Added unit tests for the things I have touched to make sure it behaves the way it is supposed to behave

BTheDragonMaster commented 2 years ago

Great, thank you!