class TestStandardWriterModule(unittest.TestCase): def setUp(self): directories = {'share':''} self.molecule = fileToMol("tests/1UAO.pdb") self.fragmentation = Fragmentation(self.molecule) self.standardwriter = Standard(self.fragmentation, directories) def test_defaults(self): self.assertEqual(self.standardwriter._nlayers, 1) def test_notimplementederror(self): self.assertRaises(NotImplementedError, self.standardwriter.writeFile) self.assertRaises(NotImplementedError, self.standardwriter.setup) def test_setcentralfragmentid(self): self.assertRaises(ValueError, self.standardwriter.setCentralFragmentID, -1) def test_setbuffermaxdistance(self): self.assertRaises(ValueError, self.standardwriter.setBufferMaxDistance, -0.1) def test_setboundariesfromstring_two_layers(self): layerstring = "1.0" nlayers = 2 self.standardwriter.setBoundariesFromString(layerstring) self.assertEqual(self.standardwriter._nlayers, nlayers) self.assertEqual(self.standardwriter._boundaries, [1.0]) def test_setboundariesfromstring_three_layers(self): layerstring = "1.0,2.0" nlayers = 3 self.standardwriter.setBoundariesFromString(layerstring) self.assertEqual(self.standardwriter._nlayers, nlayers) self.assertEqual(self.standardwriter._boundaries, [1.0,2.0])
class TestStandardWriterModule(unittest.TestCase): def setUp(self): directories = {'share': ''} self.molecule = fileToMol("tests/1UAO.pdb") self.fragmentation = Fragmentation(self.molecule) self.standardwriter = Standard(self.fragmentation, directories) def test_defaults(self): self.assertEqual(self.standardwriter._nlayers, 1) def test_notimplementederror(self): self.assertRaises(NotImplementedError, self.standardwriter.writeFile) self.assertRaises(NotImplementedError, self.standardwriter.setup) def test_setcentralfragmentid(self): self.assertRaises(ValueError, self.standardwriter.setCentralFragmentID, -1) def test_setbuffermaxdistance(self): self.assertRaises(ValueError, self.standardwriter.setBufferMaxDistance, -0.1) def test_setboundariesfromstring_two_layers(self): layerstring = "1.0" nlayers = 2 self.standardwriter.setBoundariesFromString(layerstring) self.assertEqual(self.standardwriter._nlayers, nlayers) self.assertEqual(self.standardwriter._boundaries, [1.0]) def test_setboundariesfromstring_three_layers(self): layerstring = "1.0,2.0" nlayers = 3 self.standardwriter.setBoundariesFromString(layerstring) self.assertEqual(self.standardwriter._nlayers, nlayers) self.assertEqual(self.standardwriter._boundaries, [1.0, 2.0])
def setUp(self): directories = {'share':''} self.molecule = fileToMol("tests/1UAO.pdb") self.fragmentation = Fragmentation(self.molecule) self.standardwriter = Standard(self.fragmentation, directories)
def setUp(self): self.molecule = fileToMol("tests/1UAO.pdb") self.fragmentation = Fragmentation(self.molecule) self.standardwriter = Standard(self.fragmentation)
def setUp(self): directories = {'share': ''} self.molecule = fileToMol("tests/1UAO.pdb") self.fragmentation = Fragmentation(self.molecule) self.standardwriter = Standard(self.fragmentation, directories)