atom.cpp File Reference

Handle OBAtom class. More...

#include <openbabel/babelconfig.h>
#include <openbabel/atom.h>
#include <openbabel/mol.h>
#include <openbabel/molchrg.h>
#include <openbabel/phmodel.h>
#include <openbabel/math/matrix3x3.h>

Namespaces
namespace	OpenBabel
Defines
#define	ONE_OVER_SQRT3   0.57735026918962576451
#define	SQRT_TWO_THIRDS   0.81649658092772603272
Functions
int	strncasecmp (const char *s1, const char *s2, size_t n)
static void	ApplyRotMatToBond (OBMol &mol, matrix3x3 &m, OBAtom *a1, OBAtom *a2)
Variables
OBPhModel	phmodel

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Detailed Description

Handle OBAtom class.

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Define Documentation

#define ONE_OVER_SQRT3   0.57735026918962576451

Referenced by OBAtom::GetNewBondVector(), and OBAtom::SetHybAndGeom().

#define SQRT_TWO_THIRDS   0.81649658092772603272

Referenced by OBAtom::GetNewBondVector(), and OBAtom::SetHybAndGeom().

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Function Documentation

int strncasecmp	(	const char *	s1,
		const char *	s2,
		size_t	n
	)

Referenced by OBAtomTyper::AssignTypes(), OBFormat::Display(), and OBElementTable::GetAtomicNum().