class TestStandardWriterModule(unittest.TestCase):
    def setUp(self):
        self.molecule = fileToMol("1UAO.pdb")
        self.fragmentation = Fragmentation(self.molecule)
        self.standardwriter = Standard(Fragmentation)

    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])
Esempio n. 2
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class TestStandardWriterModule(unittest.TestCase):

    def setUp(self):
      self.molecule = fileToMol("1UAO.pdb")
      self.fragmentation = Fragmentation(self.molecule)
      self.standardwriter = Standard(Fragmentation)

    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])
Esempio n. 3
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 def __init__(self, fragmentation):
   Standard.__init__(self,fragmentation)
Esempio n. 4
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 def __init(self, fragmentation):
     Standard.__init__(self, fragmentation)
 def setUp(self):
     self.molecule = fileToMol("1UAO.pdb")
     self.fragmentation = Fragmentation(self.molecule)
     self.standardwriter = Standard(Fragmentation)
Esempio n. 6
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 def setUp(self):
   self.molecule = fileToMol("1UAO.pdb")
   self.fragmentation = Fragmentation(self.molecule)
   self.standardwriter = Standard(Fragmentation)
Esempio n. 7
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 def __init__(self, fragmentation):
     Standard.__init__(self,fragmentation)
     self._mfcc = MFCC(fragmentation)