Example #1
0
    def make_crystal_basis(self):
        "Make the basis matrix for the crystal unit cell and the system unit cell."
        # First convert the basis specification to a triclinic one
        if type(self.latticeconstant) == type({}):
            self.latticeconstant['beta'] = 90
            self.latticeconstant['gamma'] = 90
        else:
            if len(self.latticeconstant) == 4:
                self.latticeconstant = self.latticeconstant + (90, 90)
            else:
                raise ValueError, "Improper lattice constants for monoclinic crystal."

        TriclinicFactory.make_crystal_basis(self)
Example #2
0
    def make_crystal_basis(self):
        "Make the basis matrix for the crystal unit cell and the system unit cell."
        # First convert the basis specification to a triclinic one
        if isinstance(self.latticeconstant, type({})):
            self.latticeconstant['beta'] = 90
            self.latticeconstant['gamma'] = 90
        else:
            if len(self.latticeconstant) == 4:
                self.latticeconstant = self.latticeconstant + (90,90)
            else:
                raise ValueError("Improper lattice constants for monoclinic crystal.")

        TriclinicFactory.make_crystal_basis(self)
Example #3
0
 def make_crystal_basis(self):
     "Make the basis matrix for the crystal unit cell and the system unit cell."
     # First convert the basis specification to a triclinic one
     if type(self.latticeconstant) == type({}):
         self.latticeconstant['alpha'] = 90
         self.latticeconstant['beta'] = 90
         self.latticeconstant['gamma'] = 120
         self.latticeconstant['b/a'] = 1.0
     else:
         if len(self.latticeconstant) == 2:
             a,c = self.latticeconstant
             self.latticeconstant = (a,a,c,90,90,120)
         else:
             raise ValueError, "Improper lattice constants for hexagonal crystal."
     TriclinicFactory.make_crystal_basis(self)
Example #4
0
 def make_crystal_basis(self):
     "Make the basis matrix for the crystal unit cell and the system unit cell."
     # First convert the basis specification to a triclinic one
     if isinstance(self.latticeconstant, type({})):
         self.latticeconstant['alpha'] = 90
         self.latticeconstant['beta'] = 90
         self.latticeconstant['gamma'] = 120
         self.latticeconstant['b/a'] = 1.0
     else:
         if len(self.latticeconstant) == 2:
             a,c = self.latticeconstant
             self.latticeconstant = (a,a,c,90,90,120)
         else:
             raise ValueError("Improper lattice constants for hexagonal crystal.")
     TriclinicFactory.make_crystal_basis(self)