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:
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)
