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Searched refs:aligned_coords (Results 1 – 2 of 2) sorted by relevance

/dports/science/openbabel/openbabel-3.1.1/src/math/
H A Dalign.cpp382 vector<vector3> aligned_coords; in GetAlignment() local
385 return aligned_coords; in GetAlignment()
391 aligned_coords.reserve(_result.cols()); in GetAlignment()
394 aligned_coords.push_back(vector3(tmp(0), tmp(1), tmp(2))); in GetAlignment()
414 aligned_coords.reserve(_result.cols()); in GetAlignment()
417 aligned_coords.push_back(vector3(tmp(0), tmp(1), tmp(2))); in GetAlignment()
421 return aligned_coords; in GetAlignment()
/dports/science/py-scoria/scoria-1.0.5/scoria/unittests/
H A DOtherMoleculeTests.py67 aligned_coords = rotated.get_coordinates()
71 self.assertAlmostEqual(origianl_coords[i][j], aligned_coords[i][j], self.accuracy)