atom.cpp File Reference

Handle OBAtom class. More...

#include "mol.h"
#include "typer.h"
#include "molchrg.h"
#include "phmodel.h"
#include "math/matrix3x3.h"

Namespaces

namespace OpenBabel

Defines

#define ONE_OVER_SQRT3 0.57735026918962576451

#define SQRT_TWO_THIRDS 0.81649658092772603272

Functions

static void ApplyRotMatToBond (OBMol &mol, matrix3x3 &m, OBAtom *a1, OBAtom *a2)

Variables

OBAromaticTyper aromtyper

Global OBAromaticTyper for detecting aromatic atoms and bonds.

OBAtomTyper atomtyper

OBPhModel phmodel

Detailed Description

Handle OBAtom class.

#define ONE_OVER_SQRT3 0.57735026918962576451

#define SQRT_TWO_THIRDS 0.81649658092772603272


Namespaces
namespace	OpenBabel
Defines
#define	ONE_OVER_SQRT3 0.57735026918962576451
#define	SQRT_TWO_THIRDS 0.81649658092772603272
Functions
static void	ApplyRotMatToBond (OBMol &mol, matrix3x3 &m, OBAtom a1, OBAtom a2)
Variables
OBAromaticTyper	aromtyper
	Global OBAromaticTyper for detecting aromatic atoms and bonds.
OBAtomTyper	atomtyper
OBPhModel	phmodel