Esempi in Python per Standard

Esempio n. 1

File: test_standardwriter.py Progetto: berquist/fragit-main

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

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

File: xyzmfcc.py Progetto: berquist/fragit-main

 def __init__(self, fragmentation):
   Standard.__init__(self,fragmentation)

Esempio n. 4

File: orca.py Progetto: berquist/fragit-main

 def __init(self, fragmentation):
     Standard.__init__(self, fragmentation)

Esempio n. 5

File: test_standardwriter.py Progetto: berquist/fragit-main

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

Esempio n. 6

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

Esempio n. 7

File: xyzmfcc.py Progetto: superstar54/fragit-main

 def __init__(self, fragmentation):
     Standard.__init__(self,fragmentation)
     self._mfcc = MFCC(fragmentation)