energeticEvaluation.h

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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:

#ifndef BALL_SCORING_FUNCTIONS_ENERGETICEVALUATION_H
#define BALL_SCORING_FUNCTIONS_ENERGETICEVALUATION_H

#ifndef BALL_DOCKING_COMMON_CONFORMATIONSET_H
# include <BALL/DOCKING/COMMON/conformationSet.h>
#endif

#include <vector>

namespace BALL
{
  class BALL_EXPORT EnergeticEvaluation
  {
    public:
      EnergeticEvaluation()
        throw();

      virtual ~EnergeticEvaluation()
        throw();

      virtual std::vector < ConformationSet::Conformation > operator () (ConformationSet& conformations);
  };
}

#endif // BALL_SCORING_FUNCTIONS_ENERGETICEVALUATION_H