schrodinger.application.matsci.cctbx.rot_mx module
Operations on rotation matrices.
Copyright Schrodinger, LLC. All rights reserved.
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schrodinger.application.matsci.cctbx.rot_mx.basis_of_mirror_plane_with_normal(u)[source]
Primitive setting assumed
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schrodinger.application.matsci.cctbx.rot_mx.back_substitution_int(re_mx, sol=None)[source]
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schrodinger.application.matsci.cctbx.rot_mx.homog_rank_2(re_mx)[source]
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class
schrodinger.application.matsci.cctbx.rot_mx.parse_string(operator)[source]
Bases: object
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__init__(operator)[source]
Initialize self. See help(type(self)) for accurate signature.
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string()[source]
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parse_symm_op()[source]
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class
schrodinger.application.matsci.cctbx.rot_mx.tr_vec(*args)[source]
Bases: object
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sg_t_den = 12
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__init__(*args)[source]
Initialize self. See help(type(self)) for accurate signature.
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den()[source]
Get denominator of the rotation matrix.
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num()[source]
Get rotation matrix.
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is_valid()[source]
Check if the matrix is valid.
True only if den() != 0.
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is_zero()[source]
True only if all elements of the numertor are equal to zero.
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cancel()[source]
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copy()[source]
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new_denominator(new_den)[source]
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scale(fac)[source]
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divide(rhs)[source]
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minus(rhs)[source]
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as_double()[source]
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class
schrodinger.application.matsci.cctbx.rot_mx.rot_mx(*args)[source]
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.
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__init__(*args)[source]
Initialize matrix.
See cctbx/sgtbx/rot_mx.h for more documentation
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den()[source]
Get denominator of the rotation matrix.
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num()[source]
Get rotation matrix.
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is_valid()[source]
Check if the matrix is valid.
True only if den() != 0.
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is_unit_mx()[source]
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minus_unit_mx()[source]
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new_denominator(new_den)[source]
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matrix_cofactor()[source]
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copy(transpose=False, minus=False)[source]
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scale(fac)[source]
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determinant()[source]
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transpose()[source]
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inverse()[source]
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cancel()[source]
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inverse_cancel()[source]
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opdiv(rhs)[source]
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divide(rhs)[source]
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multiply(rhs)[source]
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oper_multiply(rhs)[source]
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as_double()[source]
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type()[source]
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order(type_in=0)[source]
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accumulate(type_in=0)[source]
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info()[source]
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class
schrodinger.application.matsci.cctbx.rot_mx.rot_mx_info(rot_mx_in)[source]
Bases: object
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__init__(rot_mx_in)[source]
Initialize self. See help(type(self)) for accurate signature.
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type()[source]
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ev()[source]
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basis_of_invariant()[source]
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sense_of_rotation(rot_mx, type_, ev)[source]
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sense()[source]
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class
schrodinger.application.matsci.cctbx.rot_mx.rt_mx(*args)[source]
Bases: object
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__init__(*args)[source]
Initialize self. See help(type(self)) for accurate signature.
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r()[source]
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t()[source]
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is_unit_mx()[source]
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t_intrinsic_part()[source]
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t_location_part(wi)[source]
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class
schrodinger.application.matsci.cctbx.rot_mx.translation_part_info(rt_mx)[source]
Bases: object
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__init__(rt_mx)[source]
Initialize self. See help(type(self)) for accurate signature.
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intrinsic_part()[source]
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location_part()[source]
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origin_shift()[source]