forcefield.cpp File Reference

#include <openbabel/babelconfig.h>
#include <set>
#include <openbabel/forcefield.h>
#include <openbabel/mol.h>
#include <openbabel/atom.h>
#include <openbabel/bond.h>
#include <openbabel/ring.h>
#include <openbabel/obiter.h>
#include <openbabel/math/matrix3x3.h>
#include <openbabel/rotamer.h>
#include <openbabel/rotor.h>
#include <openbabel/grid.h>
#include <openbabel/griddata.h>
#include <openbabel/elements.h>
#include "rand.h"

Namespaces
	OpenBabel

Functions
void	Reweight (std::vector< std::vector< double > > &rotorWeights, std::vector< int > rotorKey, double bonus)

Detailed Description

Handle OBForceField class.