atom.cpp File Reference

#include <openbabel/babelconfig.h>
#include <openbabel/atom.h>
#include <openbabel/bond.h>
#include <openbabel/mol.h>
#include <openbabel/obiter.h>
#include <openbabel/molchrg.h>
#include <openbabel/ring.h>
#include <openbabel/phmodel.h>
#include <openbabel/builder.h>
#include <openbabel/elements.h>
#include <openbabel/chains.h>
#include <openbabel/obutil.h>
#include <openbabel/residue.h>
#include <openbabel/math/matrix3x3.h>

Namespaces
	OpenBabel

Macros
#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 bool	IsSulfoneOxygen (OBAtom *atm)
static double	CorrectedBondRad (unsigned int elem, unsigned int hyb)
static void	ApplyRotMatToBond (OBMol &mol, matrix3x3 &m, OBAtom *a1, OBAtom *a2)

Variables
THREAD_LOCAL OBPhModel	phmodel

Detailed Description

Handle OBAtom class.

Macro Definition Documentation

ONE_OVER_SQRT3

#define ONE_OVER_SQRT3   0.57735026918962576451

Referenced by OBAtom::SetHybAndGeom().

SQRT_TWO_THIRDS

#define SQRT_TWO_THIRDS   0.81649658092772603272

Referenced by OBAtom::SetHybAndGeom().

Function Documentation

strncasecmp()

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

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