00001 // -*- Mode: C++; tab-width: 2; -*- 00002 // vi: set ts=2: 00003 00004 #ifndef BALL_STRUCTURE_DOCKING_ENERGETICEVALUATION_H 00005 #define BALL_STRUCTURE_DOCKING_ENERGETICEVALUATION_H 00006 00007 #ifndef BALL_STRUCTURE_DOCKING_RANKEDCONFORMATION_H 00008 # include <BALL/STRUCTURE/DOCKING/conformationSet.h> 00009 #endif 00010 00011 #include <vector> 00012 00013 namespace BALL 00014 { 00020 class BALL_EXPORT EnergeticEvaluation 00021 { 00022 public: 00023 00024 EnergeticEvaluation() 00025 ; 00026 00027 virtual ~EnergeticEvaluation() 00028 ; 00029 00032 virtual std::vector<ConformationSet::Conformation> operator () (ConformationSet& conformations); 00033 }; 00034 } 00035 #endif