7#ifndef BALL_SOLVATION_PAIR6_12INTERACTIONENERGYPROCESSOR_H
8#define BALL_SOLVATION_PAIR6_12INTERACTIONENERGYPROCESSOR_H
14#ifndef BALL_DATATYPE_OPTIONS_H
18#ifndef BALL_MATHS_SURFACE_H
22#ifndef BALL_ENERGY_ENERGYPROCESSOR_H
26#ifndef BALL_STRUCTURE_RDFPARAMETER_H
30#ifndef BALL_SOLVATION_PAIR6_12RDFINTEGRATOR_H
34#ifndef BALL_SOLVATION_SOLVENTDESCRIPTOR_H
296 void getExternalSurface_(std::vector<std::pair<Vector3, Surface> >& surface_map,
297 const char* surface_file) ;
virtual ~Pair6_12InteractionEnergyProcessor()
void setSolventDescriptor(const SolventDescriptor &solvent)
const RDFParameter & getRDFParameter() const
Pair6_12InteractionEnergyProcessor(const SolventDescriptor &solvent, const RDFParameter &rdf_param, const Pair6_12RDFIntegrator &rdf_integrator)
SolventDescriptor solvent_
Pair6_12RDFIntegrator rdf_integrator_
Pair6_12InteractionEnergyProcessor(const Pair6_12InteractionEnergyProcessor &proc)
const Pair6_12RDFIntegrator & getRDFIntegrator() const
void setRDFIntegrator(const Pair6_12RDFIntegrator &integrator)
const SolventDescriptor & getSolventDescriptor() const
Pair6_12InteractionEnergyProcessor()
RDFParameter rdf_parameter_
void setRDFParameters(const RDFParameter &rdf_parameter)
static const char * USE_RDF
static const char * VERBOSITY
static const char * LJ_FILENAME
static const char * SOLVENT_FILENAME
static const char * RDF_FILENAME
static const char * SURFACE_FILENAME
static const char * SURFACE_TYPE
static const char * SOLVENT_NUMBER_DENSITY
static const char * SURFACE_FILENAME
static const Size VERBOSITY
static const char * RDF_FILENAME
static const Size SURFACE_TYPE
static const float SOLVENT_NUMBER_DENSITY
static const char * LJ_FILENAME
static const bool USE_RDF
static const char * SOLVENT_FILENAME