schrodinger.application.matsci.cctbx.rot_mx module

Operations on rotation matrices.

Copyright Schrodinger, LLC. All rights reserved.

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)

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)

scale(fac)

determinant()

transpose()

inverse()

cancel()

inverse_cancel()

opdiv(rhs)

divide(rhs)

multiply(rhs)

as_double()

type()

order(type_in=0)

accumulate(type_in=0)

class schrodinger.application.matsci.cctbx.rot_mx.rot_mx_info(rot_mx)

Bases: object

__init__(rot_mx)

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

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()