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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]
collintolSymmetry
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
orthogtolSymmetry
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]
sigmaSymmetry
Symmetry(AtomSel *sel, MoleculeList *mlist, int verbosity)Symmetry
~Symmetry(void)Symmetry

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