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energetic sorting of conformer rotamer ensembles
https://xtb-docs.readthedocs.io/en/latest/enso_doc/enso.html
GNU Lesser General Public License v3.0
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Fix comparison which relies on object ids
#11
Closed
awvwgk
closed
4 years ago
awvwgk
commented
4 years ago
0
compares cleanly by object id, because there is usually only one
0
PyObject present (this happens to be an implementation detail of CPython, which is not reliable)
also one string comparison by object id is replaced by correct
!=
operation
0compares cleanly by object id, because there is usually only one0PyObject present (this happens to be an implementation detail of CPython, which is not reliable)!=operation