Python Vertex.__init__ Examples

Example #1

File: group.py Project: ajalan/RMG-Py

 def __init__(self, atomType=None, radicalElectrons=None, spinMultiplicity=None, charge=None, label=''):
     Vertex.__init__(self)
     self.atomType = atomType or []
     for index in range(len(self.atomType)):
         if isinstance(self.atomType[index], str):
             self.atomType[index] = atomTypes[self.atomType[index]]
     self.radicalElectrons = radicalElectrons or []
     self.spinMultiplicity = spinMultiplicity or []
     self.charge = charge or []
     self.label = label

Example #2

File: molecule.py Project: chasquiwan/RotSpecPy

 def __init__(self, element=None, coord=np.array([0.0, 0.0, 0.0]), radicalElectrons=0, spinMultiplicity=1, implicitHydrogens=0, charge=0, label=''):
     Vertex.__init__(self)
     if isinstance(element, str):
         self.element = elements.__dict__[element]
     else:
         self.element = element
     self.coord = coord
     self.radicalElectrons = radicalElectrons
     self.spinMultiplicity = spinMultiplicity
     self.implicitHydrogens = implicitHydrogens
     self.charge = charge
     self.label = label
     self.atomType = None

Example #3

 def __init__(self,
              element=None,
              coord=np.array([0.0, 0.0, 0.0]),
              radicalElectrons=0,
              spinMultiplicity=1,
              implicitHydrogens=0,
              charge=0,
              label=''):
     Vertex.__init__(self)
     if isinstance(element, str):
         self.element = elements.__dict__[element]
     else:
         self.element = element
     self.coord = coord
     self.radicalElectrons = radicalElectrons
     self.spinMultiplicity = spinMultiplicity
     self.implicitHydrogens = implicitHydrogens
     self.charge = charge
     self.label = label
     self.atomType = None
     self.realMass = self.element.mass
     self.mullikenCharge = charge

Example #4

File: dfs_test.py Project: tanliangwei/Python-Data-Structures

 def __init__(self, name=None):
     Vertex.__init__(self)
     self.name = name

Example #5

File: weighted_graph.py Project: tanliangwei/Python-Data-Structures

 def __init__(self):
     Vertex.__init__(self)
     self.W = {}