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// ----------------------------------------------------
// $Maintainer: Marcel Schumann $
// $Authors: Marcel Schumann $
// ----------------------------------------------------
#include <BALL/SCORING/FUNCTIONS/PBScoring.h>
#include <BALL/SCORING/COMPONENTS/PB.h>
using namespace BALL;
PBScoring::PBScoring(AtomContainer& receptor, AtomContainer& ligand, Options& options)
: ScoringFunction(receptor, ligand, options)
{
setup();
}
PBScoring::PBScoring(AtomContainer& receptor, Vector3& hashgrid_origin, Options& options)
: ScoringFunction(receptor, hashgrid_origin, options)
{
setup();
}
void PBScoring::setup()
{
ScoringFunction::setName("PBScoring");
PB* pb = new PB(*this);
pb->setName("PB");
pb->setScoringFunction(*this);
pb->setLigandIntraMolecular(0);
scoring_components_.push_back(pb);
}
double PBScoring::getES()
{
double es = 0;
return es;
}
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