energeticEvaluation.h

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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