Add function to test if UpdatePropertyCache is necessary #400
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| @@ -369,6 +369,9 @@ struct mol_wrapper { | |||
| (python::arg("self"),python::arg("strict")=true), | |||
| "Regenerates computed properties like implicit valence and ring information.\n\n") | |||
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| .def("NeedsUpdatePropertyCache", &ROMol::needsUpdatePropertyCache, | |||
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Shouldn't this method also be available on Atoms?
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I haven't found a UpdatePropertyCache for atoms in Python, therefore I didn't added it. I will provide an update.
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Ups, I have found it now 😁
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greglandrum
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Add function to test if UpdatePropertyCache is necessary
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Add a function to test if calling UpdatePropertyCache is necessary. Introduce this function to the MolBlockWriter to prevent getting an exception when working with not sanitized molecules.