schrodinger.application.matsci.cctbx.rot_mx module

Operations on rotation matrices.

Copyright Schrodinger, LLC. All rights reserved.

schrodinger.application.matsci.cctbx.rot_mx.basis_of_mirror_plane_with_normal(u)

Primitive setting assumed

schrodinger.application.matsci.cctbx.rot_mx.back_substitution_int(re_mx, sol=None)
schrodinger.application.matsci.cctbx.rot_mx.homog_rank_2(re_mx)
class schrodinger.application.matsci.cctbx.rot_mx.parse_string(operator)

Bases: object

__init__(operator)

Initialize self. See help(type(self)) for accurate signature.

string()
parse_symm_op()
class schrodinger.application.matsci.cctbx.rot_mx.tr_vec(*args)

Bases: object

sg_t_den = 12
__init__(*args)

Initialize self. See help(type(self)) for accurate signature.

den()

Get denominator of the rotation matrix.

num()

Get rotation matrix.

is_valid()

Check if the matrix is valid. True only if den() != 0.

is_zero()

True only if all elements of the numertor are equal to zero.

cancel()
copy()
new_denominator(new_den)
scale(fac)
divide(rhs)
minus(rhs)
as_double()
class schrodinger.application.matsci.cctbx.rot_mx.rot_mx(*args)

Bases: object

3x3 rotation matrix. The elements of the matrix are stored as integers and a common denominator. The actual value of an element is obtained by dividing the integer number by the denominator.

__init__(*args)

Initialize matrix.

See cctbx/sgtbx/rot_mx.h for more documentation

den()

Get denominator of the rotation matrix.

num()

Get rotation matrix.

is_valid()

Check if the matrix is valid. True only if den() != 0.

is_unit_mx()
minus_unit_mx()
new_denominator(new_den)
matrix_cofactor()
copy(transpose=False, minus=False)
scale(fac)
determinant()
transpose()
inverse()
cancel()
inverse_cancel()
opdiv(rhs)
divide(rhs)
multiply(rhs)
oper_multiply(rhs)
as_double()
type()
order(type_in=0)
accumulate(type_in=0)
info()
class schrodinger.application.matsci.cctbx.rot_mx.rot_mx_info(rot_mx_in)

Bases: object

__init__(rot_mx_in)

Initialize self. See help(type(self)) for accurate signature.

type()
ev()
basis_of_invariant()
sense_of_rotation(rot_mx, type_, ev)
sense()
class schrodinger.application.matsci.cctbx.rot_mx.rt_mx(*args)

Bases: object

__init__(*args)

Initialize self. See help(type(self)) for accurate signature.

r()
t()
is_unit_mx()
t_intrinsic_part()
t_location_part(wi)
class schrodinger.application.matsci.cctbx.rot_mx.translation_part_info(rt_mx)

Bases: object

__init__(rt_mx)

Initialize self. See help(type(self)) for accurate signature.

intrinsic_part()
location_part()
origin_shift()