BALL
1.5.0
include
BALL
SCORING
FUNCTIONS
energeticEvaluation.h
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// -*- Mode: C++; tab-width: 2; -*-
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// vi: set ts=2:
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#ifndef BALL_SCORING_FUNCTIONS_ENERGETICEVALUATION_H
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#define BALL_SCORING_FUNCTIONS_ENERGETICEVALUATION_H
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#ifndef BALL_DOCKING_COMMON_CONFORMATIONSET_H
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# include <
BALL/DOCKING/COMMON/conformationSet.h
>
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#endif
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#include <vector>
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namespace
BALL
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{
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class
BALL_EXPORT
EnergeticEvaluation
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{
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public
:
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EnergeticEvaluation
()
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throw();
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virtual ~
EnergeticEvaluation
()
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throw();
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virtual std::vector <
ConformationSet
::
Conformation
> operator () (
ConformationSet
& conformations);
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};
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}
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#endif
// BALL_SCORING_FUNCTIONS_ENERGETICEVALUATION_H
conformationSet.h
BALL
Definition:
constants.h:13
BALL::Conformation
Definition:
conformation.h:25
BALL::ConformationSet
Definition:
conformationSet.h:33
BALL::EnergeticEvaluation
Definition:
energeticEvaluation.h:21
BALL::EnergeticEvaluation::EnergeticEvaluation
EnergeticEvaluation()
BALL_EXPORT
#define BALL_EXPORT
Definition:
COMMON/global.h:50
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