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Best Struct Reference

List of all members.

Public Attributes
int	pointgroup
int	pointgrouporder
float	rmsd
float *	idealcoor
Plane *	planes
Axis *	axes
Axis *	rotreflections
bool	linear
	is molecule linear? More...
bool	planar
	is molecule planar? More...
bool	inversion
	do we have an inversion center? More...
bool	sphericaltop
	is it a spherical top? More...
bool	symmetrictop
	is it a symmetrical top? More...

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Member Data Documentation

Axis* Best::axes

Definition at line 143 of file MeasureSymmetry.C.

float* Best::idealcoor

Definition at line 141 of file MeasureSymmetry.C. Referenced by Symmetry::guess.

bool Best::inversion

do we have an inversion center? Definition at line 147 of file MeasureSymmetry.C. Referenced by Symmetry::guess.

bool Best::linear

is molecule linear? Definition at line 145 of file MeasureSymmetry.C. Referenced by Symmetry::guess.

bool Best::planar

is molecule planar? Definition at line 146 of file MeasureSymmetry.C. Referenced by Symmetry::guess.

Plane* Best::planes

Definition at line 142 of file MeasureSymmetry.C.

int Best::pointgroup

Definition at line 138 of file MeasureSymmetry.C. Referenced by Symmetry::guess.

int Best::pointgrouporder

Definition at line 139 of file MeasureSymmetry.C. Referenced by Symmetry::guess.

float Best::rmsd

Definition at line 140 of file MeasureSymmetry.C.

Axis* Best::rotreflections

Definition at line 144 of file MeasureSymmetry.C.

bool Best::sphericaltop

is it a spherical top? Definition at line 148 of file MeasureSymmetry.C. Referenced by Symmetry::guess.

bool Best::symmetrictop

is it a symmetrical top? Definition at line 149 of file MeasureSymmetry.C.

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The documentation for this struct was generated from the following file:

• MeasureSymmetry.C

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