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
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
def __init__(self, suffix): FixedImportanceSampler.__init__(self, suffix)
def __init__(self,suffix): FixedImportanceSampler.__init__(self,suffix)