schrodinger.application.matsci.test module¶
Unit test related functions/classes.
Copyright Schrodinger, LLC. All rights reserved.
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schrodinger.application.matsci.test.
assert_same_struct
(struct1, struct2, target_rmsd=0.0, num_places=1)¶ Assert that two structures are the same.
Parameters: - struct1 (structure.Structure) – First structure
- struct2 (structure.Structure) – Second structure
- target_rmsd (float) – Target RMSD for two structures
- num_places (int) – The number of decimal places used for comparing the two RMSD floats. In unittest needs to be set fairly loosely so that the tests pass on different OSs