OpenBabel::OBInternalCoord

OBInternalCoord Class Reference

Used to transform from z-matrix to cartesian coordinates. More...

#include <mol.h>

List of all members.

Public Member Functions

 OBInternalCoord (OBAtom *a=(OBAtom *) NULL, OBAtom *b=(OBAtom *) NULL, OBAtom *c=(OBAtom *) NULL)
 Constructor.

Public Attributes

OBAtom * _a
OBAtom * _b
OBAtom * _c
double _dst
double _ang
double _tor

Detailed Description

Used to transform from z-matrix to cartesian coordinates.

Constructor & Destructor Documentation

OBInternalCoord ( OBAtom *  a = (OBAtom*)NULL,
OBAtom *  b = (OBAtom*)NULL,
OBAtom *  c = (OBAtom*)NULL 
) [inline]

Constructor.

Member Data Documentation

OBAtom* _a

OBAtom * _b

OBAtom * _c

double _dst

double _ang

double _tor

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