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)¶ Primitive setting assumed
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schrodinger.application.matsci.cctbx.rot_mx.
back_substitution_int
(re_mx, sol=None)¶
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schrodinger.application.matsci.cctbx.rot_mx.
homog_rank_2
(re_mx)¶
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class
schrodinger.application.matsci.cctbx.rot_mx.
parse_string
(operator)¶ Bases:
object
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__init__
(operator)¶ Initialize self. See help(type(self)) for accurate signature.
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string
()¶
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parse_symm_op
()¶
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class
schrodinger.application.matsci.cctbx.rot_mx.
tr_vec
(*args)¶ Bases:
object
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sg_t_den
= 12¶
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__init__
(*args)¶ Initialize self. See help(type(self)) for accurate signature.
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den
()¶ Get denominator of the rotation matrix.
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num
()¶ Get rotation matrix.
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is_valid
()¶ Check if the matrix is valid. True only if den() != 0.
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is_zero
()¶ True only if all elements of the numertor are equal to zero.
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cancel
()¶
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copy
()¶
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new_denominator
(new_den)¶
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scale
(fac)¶
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divide
(rhs)¶
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minus
(rhs)¶
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as_double
()¶
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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.
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__init__
(*args)¶ Initialize matrix.
See cctbx/sgtbx/rot_mx.h for more documentation
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den
()¶ Get denominator of the rotation matrix.
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num
()¶ Get rotation matrix.
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is_valid
()¶ Check if the matrix is valid. True only if den() != 0.
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is_unit_mx
()¶
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minus_unit_mx
()¶
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new_denominator
(new_den)¶
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matrix_cofactor
()¶
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copy
(transpose=False, minus=False)¶
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scale
(fac)¶
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determinant
()¶
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transpose
()¶
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inverse
()¶
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cancel
()¶
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inverse_cancel
()¶
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opdiv
(rhs)¶
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divide
(rhs)¶
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multiply
(rhs)¶
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oper_multiply
(rhs)¶
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as_double
()¶
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type
()¶
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order
(type_in=0)¶
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accumulate
(type_in=0)¶
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info
()¶
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class
schrodinger.application.matsci.cctbx.rot_mx.
rot_mx_info
(rot_mx_in)¶ Bases:
object
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__init__
(rot_mx_in)¶ Initialize self. See help(type(self)) for accurate signature.
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type
()¶
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ev
()¶
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basis_of_invariant
()¶
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sense_of_rotation
(rot_mx, type_, ev)¶
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sense
()¶
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