atomate.qchem.firetasks.tests package¶
Submodules¶
atomate.qchem.firetasks.tests.test_critic2 module¶
atomate.qchem.firetasks.tests.test_fragmenter module¶
atomate.qchem.firetasks.tests.test_geo_transformations module¶
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class
atomate.qchem.firetasks.tests.test_geo_transformations.TestGeoTransformations(methodName='runTest')¶ Bases:
atomate.utils.testing.AtomateTest-
setUp(lpad=False)¶ Create scratch directory(removes the old one if there is one) and change to it. Also initialize launchpad.
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classmethod
setUpClass()¶ Hook method for setting up class fixture before running tests in the class.
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tearDown()¶ Remove the scratch directory and teardown the test db.
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test_rotate_torsion()¶
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