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The coordinate indices can be lists of sets of indices, lists of lists of indices or 2D numpy arrays of indices depending on the type of zmatrix being constructed. A single datatype should be chosen and the test_zmat be updated.
Currently #15 is using reference values of list[list[str] for zmat and redundant, casts numpy arrays to list for redundant, and uses list[set[str]] for custom zmats.
The text was updated successfully, but these errors were encountered:
The coordinate indices can be lists of sets of indices, lists of lists of indices or 2D numpy arrays of indices depending on the type of zmatrix being constructed. A single datatype should be chosen and the test_zmat be updated.
Currently #15 is using reference values of
list[list[str]
for zmat and redundant, casts numpy arrays to list for redundant, and useslist[set[str]]
for custom zmats.The text was updated successfully, but these errors were encountered: