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Symmetry Member List
This is the complete list of members for
Symmetry
, including all inherited members.
axis
(int i)
Symmetry
[inline]
center_of_mass
()
Symmetry
[inline]
collintol
Symmetry
get_additional_elements
()
Symmetry
[inline]
get_axisorder
(int n)
Symmetry
get_axistype
(int i)
Symmetry
[inline]
get_element_summary
()
Symmetry
[inline]
get_inertia_axes
()
Symmetry
[inline]
get_inertia_eigenvals
()
Symmetry
[inline]
get_inertia_unique
()
Symmetry
[inline]
get_missing_elements
()
Symmetry
[inline]
get_orientation
()
Symmetry
[inline]
get_planetype
(int i)
Symmetry
[inline]
get_pointgroup
(char pg[8], int *order)
Symmetry
get_rmsd
()
Symmetry
[inline]
get_rotreflectorder
(int n)
Symmetry
get_rotrefltype
(int i)
Symmetry
[inline]
get_unique_atom
(int i)
Symmetry
[inline]
guess
(float mysigma)
Symmetry
has_inversion
()
Symmetry
[inline]
idealpos
(int i)
Symmetry
[inline]
impose
(int have_inversion, int nplanes, const float *planev, int naxes, const float *axisv, const int *axisorder, int nrotrefl, const float *rotreflv, const int *rotreflorder)
Symmetry
is_spherical_top
()
Symmetry
[inline]
is_symmetric_top
()
Symmetry
[inline]
numaxes
()
Symmetry
[inline]
numplanes
()
Symmetry
[inline]
numprimaryaxes
()
Symmetry
numrotreflect
()
Symmetry
[inline]
numS2n
()
Symmetry
orthogtol
Symmetry
plane
(int i)
Symmetry
[inline]
rotreflect
(int i)
Symmetry
[inline]
score_axis
(const float *testaxis, int order)
Symmetry
score_inversion
()
Symmetry
score_plane
(const float *normal)
Symmetry
score_rotary_reflection
(const float *testaxis, int order)
Symmetry
set_checkbonds
(int flag)
Symmetry
[inline]
set_maxnumatoms
(int n)
Symmetry
[inline]
set_overlaptol
(float tol)
Symmetry
[inline]
sigma
Symmetry
Symmetry
(AtomSel *sel, MoleculeList *mlist, int verbosity)
Symmetry
~Symmetry
(void)
Symmetry
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