Ejemplo n.º 1
0
    def __init__(self, suffix, symmetry=None):
        FixedImportanceSampler.__init__(self, suffix)

        self.symmetry = symmetry

        # Compute symmetry operator
        if self.symmetry is not None:
            self.symmetry_Rs = n.array(self.symmetry.get_rotations())
        else:
            self.symmetry_Rs = None
Ejemplo n.º 2
0
    def __init__(self, suffix, symmetry=None):
        FixedImportanceSampler.__init__(self, suffix)

        self.symmetry = symmetry

        # Compute symmetry operator
        if self.symmetry is not None:
            self.symmetry_Rs = n.array(self.symmetry.get_rotations())
        else:
            self.symmetry_Rs = None
Ejemplo n.º 3
0
    def __init__(self,suffix,symmetry=None):
        FixedImportanceSampler.__init__(self,suffix)

        self.symmetry = symmetry

        # Compute symmetry operator
        if self.symmetry is not None:
            Rs = self.symmetry.get_rotations()
            self.symmetry_quats = n.array([geom.rotmat3D_to_quat(R) for R in Rs])
        else:
            self.symmetry_quats = None
Ejemplo n.º 4
0
 def __init__(self, suffix):
     FixedImportanceSampler.__init__(self, suffix)
Ejemplo n.º 5
0
 def __init__(self,suffix):
     FixedImportanceSampler.__init__(self,suffix)