def niggli_reduce(lattice, eps=1e-5):
"""Run Niggli reduction
Args:
lattice: Lattice parameters in the form of
[[a_x, a_y, a_z],
[b_x, b_y, b_z],
[c_x, c_y, c_z]]
eps:
float: Tolerance to check if difference of norms of two basis
vectors is close to zero or not and if two basis vectors are
orthogonal by the value of dot product being close to zero or
not. The detail is shown at
https://atztogo.github.io/niggli/.
Returns:
if the Niggli reduction succeeded:
Reduced lattice parameters are given as a numpy 'double' array:
[[a_x, a_y, a_z],
[b_x, b_y, b_z],
[c_x, c_y, c_z]]
otherwise None is returned.
"""
_set_no_error()
niggli_lattice = np.array(np.transpose(lattice), dtype='double', order='C')
result = spg.niggli_reduce(niggli_lattice, float(eps))
_set_error_message()
if result == 0:
return None
else:
return np.array(np.transpose(niggli_lattice), dtype='double', order='C')
def niggli_reduce(lattice, eps=1e-5):
"""Run Niggli reduction
Args:
lattice: Lattice parameters in the form of
[[a_x, a_y, a_z],
[b_x, b_y, b_z],
[c_x, c_y, c_z]]
eps: Tolerance.
Returns:
if the Niggli reduction succeeded:
Reduced lattice parameters are given as a numpy 'double' array:
[[a_x, a_y, a_z],
[b_x, b_y, b_z],
[c_x, c_y, c_z]]
otherwise returns None.
"""
niggli_lattice = np.array(np.transpose(lattice), dtype='double', order='C')
result = spg.niggli_reduce(niggli_lattice, float(eps))
if result == 0:
return None
else:
return np.array(np.transpose(niggli_lattice),
dtype='double',
order='C')
def niggli_reduce(lattice, eps=1e-5):
"""Run Niggli reduction
Args:
lattice: Lattice parameters in the form of
[[a_x, a_y, a_z],
[b_x, b_y, b_z],
[c_x, c_y, c_z]]
eps:
float: Tolerance to check if difference of norms of two basis
vectors is close to zero or not and if two basis vectors are
orthogonal by the value of dot product being close to zero or
not. The detail is shown at
https://atztogo.github.io/niggli/.
Returns:
if the Niggli reduction succeeded:
Reduced lattice parameters are given as a numpy 'double' array:
[[a_x, a_y, a_z],
[b_x, b_y, b_z],
[c_x, c_y, c_z]]
otherwise None is returned.
"""
_set_no_error()
niggli_lattice = np.array(np.transpose(lattice), dtype='double', order='C')
result = spg.niggli_reduce(niggli_lattice, float(eps))
_set_error_message()
if result == 0:
return None
else:
return np.array(np.transpose(niggli_lattice),
dtype='double',
order='C')
def niggli_reduce(lattice, eps=1e-5):
"""Run Niggli reduction
Args:
lattice: Lattice parameters in the form of
[[a_x, a_y, a_z],
[b_x, b_y, b_z],
[c_x, c_y, c_z]]
eps: Tolerance.
Returns:
if the Niggli reduction succeeded:
Reduced lattice parameters are given as a numpy 'double' array:
[[a_x, a_y, a_z],
[b_x, b_y, b_z],
[c_x, c_y, c_z]]
otherwise returns None.
"""
niggli_lattice = np.array(np.transpose(lattice), dtype='double', order='C')
result = spg.niggli_reduce(niggli_lattice, float(eps))
if result == 0:
return None
else:
return np.array(np.transpose(niggli_lattice), dtype='double', order='C')
