[ViewVC] Diff of: group/branches/no-template-branch/OOPSE/libmdtools/SimInfo.hpp

Comparing trunk/OOPSE/libmdtools/SimInfo.hpp (file contents):
Revision 637 by gezelter, Thu Jul 17 21:50:01 2003 UTC vs.
Revision 658 by tim, Thu Jul 31 15:35:07 2003 UTC

#	Line 1 \| Line 1
1		#ifndef __SIMINFO_H__
2		#define __SIMINFO_H__
3
4	+	#include <map>
5	+	#include <string>
6	+	#include <vector>
7
5	–
8		#include "Atom.hpp"
9		#include "Molecule.hpp"
10		#include "AbstractClasses.hpp"
#	Line 11 \| Line 13
13		#define __C
14		#include "fSimulation.h"
15		#include "fortranWrapDefines.hpp"
16	+	#include "GenericData.hpp"
17
18
19
#	Line 137 \| Line 140 \| class SimInfo{ (public)
140		double getEcr( void ) { return ecr; }
141		double getEst( void ) { return est; }
142
143	<	void setTime( double theTime ) { currentTime = theTime };
144	<	double getTime( void ) { return currentTime };
143	>	void setTime( double theTime ) { currentTime = theTime; }
144	>	void incrTime( double dt ) { currentTime += dt; }
145	>	void decrTime( double dt ) { currentTime -= dt; }
146	>	double getTime( void ) { return currentTime; }
147
148		void wrapVector( double thePos[3] );
149
#	Line 150 \| Line 155 \| class SimInfo{ (public)
155		void printMat9(double A[9]);
156		double matDet3(double m[3][3]);
157
158	+
159	+	void addProperty(GenericData* prop);
160	+	GenericData* getProperty(const string& propName);
161	+	vector<GenericData*> getProperties();
162	+
163		private:
164
165		double origRcut, origEcr;
#	Line 173 \| Line 183 \| class SimInfo{ (public)
183		void (*setFortranBoxSize) setFortranBoxList;
184
185		void (*notifyFortranCutOffs) notifyFortranCutOffList;
186	+
187	+	//Addtional Properties of SimInfo
188	+	map<string, GenericData*> properties;
189
190		};
191

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