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>

Include dependency graph for atom.cpp:


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

OBAromaticTyper aromtyper
OBAtomTyper atomtyper
OBPhModel phmodel

Detailed Description

Handle OBAtom class.

Define Documentation

#define ONE_OVER_SQRT3   0.57735026918962576451

#define SQRT_TWO_THIRDS   0.81649658092772603272

Function Documentation

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