BALL
1.5.0
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include
BALL
SOLVATION
ooiEnergy.h
Go to the documentation of this file.
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// -*- Mode: C++; tab-width: 2; -*-
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// vi: set ts=2:
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//
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// $Id: ooiEnergy.h,v 1.14 2005/12/23 17:01:59 amoll Exp $
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//
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#ifndef BALL_SOLVATION_OOIENERGY_H
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#define BALL_SOLVATION_OOIENERGY_H
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#ifndef BALL_COMMON_H
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# include <
BALL/common.h
>
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#endif
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#ifndef BALL_MOLMEC_COMMON_TYPERULEPROCESSOR_H
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# include <
BALL/MOLMEC/COMMON/typeRuleProcessor.h
>
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#endif
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namespace
BALL
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{
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class
AtomContainer;
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BALL_EXPORT
double
calculateOoiEnergy
(
AtomContainer
&
atoms
);
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}
// namespace BALL
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#endif
common.h
typeRuleProcessor.h
BALL::atoms
BALL_EXPORT AtomList atoms(const AtomContainer &fragment, const String &expression=String())
BALL::calculateOoiEnergy
BALL_EXPORT double calculateOoiEnergy(AtomContainer &atoms)
BALL
Definition
constants.h:13
BALL::AtomContainer
Definition
atomContainer.h:32
BALL_EXPORT
#define BALL_EXPORT
Definition
COMMON/global.h:50
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