BALL: ooiEnergy.h Source File

00001 // -*- Mode: C++; tab-width: 2; -*-
00002 // vi: set ts=2:
00003 //
00004 // $Id: ooiEnergy.h,v 1.14 2005/12/23 17:01:59 amoll Exp $
00005 //
00006 
00007 #ifndef BALL_SOLVATION_OOIENERGY_H
00008 #define BALL_SOLVATION_OOIENERGY_H
00009 
00010 #ifndef BALL_COMMON_H
00011 # include <BALL/common.h>
00012 #endif
00013 
00014 #ifndef BALL_MOLMEC_COMMON_TYPERULEPROCESSOR_H
00015 # include <BALL/MOLMEC/COMMON/typeRuleProcessor.h>
00016 #endif
00017 
00018 namespace BALL 
00019 {
00020   class AtomContainer;
00021 
00040   BALL_EXPORT double calculateOoiEnergy(AtomContainer& atoms);
00041     
00042 } // namespace BALL
00043 
00044 #endif