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Searched refs:testAddConformersFromAmberTrajectory (Results 1 – 3 of 3) sorted by relevance

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Trajectory/
H A DtrajectoryTest.cpp507 void testAddConformersFromAmberTrajectory() { in testAddConformersFromAmberTrajectory() function
609 testAddConformersFromAmberTrajectory(); in main()
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Wrap/
H A DtestTrajectory.py442 def testAddConformersFromAmberTrajectory(self): member in TestCase
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/
H A DTrajectoryTests.java565 public void testAddConformersFromAmberTrajectory() { in testAddConformersFromAmberTrajectory() method in TrajectoryTests