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ooiEnergy.h
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1 // -*- Mode: C++; tab-width: 2; -*-
2 // vi: set ts=2:
3 //
4 // $Id: ooiEnergy.h,v 1.14 2005/12/23 17:01:59 amoll Exp $
5 //
6 
7 #ifndef BALL_SOLVATION_OOIENERGY_H
8 #define BALL_SOLVATION_OOIENERGY_H
9 
10 #ifndef BALL_COMMON_H
11 # include <BALL/common.h>
12 #endif
13 
14 #ifndef BALL_MOLMEC_COMMON_TYPERULEPROCESSOR_H
16 #endif
17 
18 namespace BALL
19 {
20  class AtomContainer;
21 
40  BALL_EXPORT double calculateOoiEnergy(AtomContainer& atoms);
41 
42 } // namespace BALL
43 
44 #endif
BALL_EXPORT AtomList atoms(const AtomContainer &fragment, const String &expression=String())
BALL_EXPORT double calculateOoiEnergy(AtomContainer &atoms)
#define BALL_EXPORT
Definition: COMMON/global.h:50