griddata.cpp File Reference

#include <openbabel/babelconfig.h>
#include <openbabel/griddata.h>
#include <openbabel/mol.h>
#include <openbabel/grid.h>
#include <vector>
#include <algorithm>
#include <limits>

Namespaces
	OpenBabel

Detailed Description

OBGenericData class to connect numeric grids (e.g., orbitals, electrostatic potential) to molecules.