schrodinger.application.matsci.test module

Unit test related functions/classes.

Copyright Schrodinger, LLC. All rights reserved.

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