forcefield.cpp File Reference

Handle OBForceField class. More...

#include <openbabel/babelconfig.h>
#include <openbabel/forcefield.h>
#include <openbabel/mol.h>
#include <openbabel/atom.h>
#include <openbabel/bond.h>
#include <openbabel/obiter.h>
#include <openbabel/math/matrix3x3.h>
#include <openbabel/rotamer.h>
#include <openbabel/rotor.h>

Namespaces

namespace  OpenBabel

Functions

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


Detailed Description

Handle OBForceField class.