Fix checking for molecule identity using "is" #167
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dormrod
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Nov 4, 2024
This is necessary to make PLAMS compatible with UCS's new content-comparing equality operator.
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This is necessary to make PLAMS tests compatible with UCS's new content-comparing equality operator.
RFC: Shouldn't we also similarly adjust theDone.mol.atomscomparisons on the immediately following lines? The unit tests work OK even in the current state, but it feels likeis notwould express the spirit of the assertion better (checking if things are two separate copies or just two references to the same object).