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root/OpenMD/branches/development/src/primitives/StuntDouble.hpp

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trunk/src/primitives/StuntDouble.hpp (file contents), Revision 1245 by chuckv, Tue May 27 16:39:06 2008 UTC vs.
branches/development/src/primitives/StuntDouble.hpp (file contents), Revision 1808 by gezelter, Mon Oct 22 20:42:10 2012 UTC

#	Line 6 | Line 6
6		* redistribute this software in source and binary code form, provided
7		* that the following conditions are met:
8		*
9	<	* 1. Acknowledgement of the program authors must be made in any
10	<	*    publication of scientific results based in part on use of the
11	<	*    program.  An acceptable form of acknowledgement is citation of
12	<	*    the article in which the program was described (Matthew
13	<	*    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14	<	*    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15	<	*    Parallel Simulation Engine for Molecular Dynamics,"
16	<	*    J. Comput. Chem. 26, pp. 252-271 (2005))
17	<	*
18	<	* 2. Redistributions of source code must retain the above copyright
9	>	* 1. Redistributions of source code must retain the above copyright
10		*    notice, this list of conditions and the following disclaimer.
11		*
12	<	* 3. Redistributions in binary form must reproduce the above copyright
12	>	* 2. Redistributions in binary form must reproduce the above copyright
13		*    notice, this list of conditions and the following disclaimer in the
14		*    documentation and/or other materials provided with the
15		*    distribution.
#	Line 37 | Line 28
28		* arising out of the use of or inability to use software, even if the
29		* University of Notre Dame has been advised of the possibility of
30		* such damages.
31	+	*
32	+	* SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
33	+	* research, please cite the appropriate papers when you publish your
34	+	* work.  Good starting points are:
35	+	*
36	+	* [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37	+	* [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38	+	* [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	+	* [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40	+	* [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42
43		/**
#	Line 58 | Line 59
59		#include "utils/PropertyMap.hpp"
60		#include "brains/Snapshot.hpp"
61		#include "brains/SnapshotManager.hpp"
62	<	namespace oopse{
62	>	namespace OpenMD{
63
64
65
#	Line 106 | Line 107 | namespace oopse{
107
108		/**
109		* Sets the global index of this stuntDouble.
110	<	* @param new global index to be set
110	>	* @param index new global index to be set
111		*/
112		void setGlobalIndex(int index) {
113		globalIndex_ = index;
#	Line 567 | Line 568 | namespace oopse{
568		void setEuler(const Vector3d& euler, int snapshotNo) {
569		((snapshotMan_->getSnapshot(snapshotNo))->*storage_).aMat[localIndex_] = euler;
570		}
571	<
571	>
572		/**
573	<	* Returns the previous unit vectors of this stuntDouble
574	<	* @return the unit vectors of this stuntDouble
573	>	* Returns the previous dipole vector of this stuntDouble
574	>	* @return the dipole vector of this stuntDouble
575		*/
576	<	RotMat3x3d getPrevElectroFrame() {
577	<	return ((snapshotMan_->getPrevSnapshot())->*storage_).electroFrame[localIndex_];
576	>	Vector3d getPrevDipole() {
577	>	return ((snapshotMan_->getPrevSnapshot())->*storage_).dipole[localIndex_];
578		}
579	<
580	<	/**
581	<	* Returns the current unit vectors of this stuntDouble
582	<	* @return the unit vectors of this stuntDouble
583	<	*/
584	<	RotMat3x3d getElectroFrame() {
585	<	return ((snapshotMan_->getCurrentSnapshot())->*storage_).electroFrame[localIndex_];
579	>
580	>	/**
581	>	* Returns the current dipole vector of this stuntDouble
582	>	* @return the dipole vector of this stuntDouble
583	>	*/
584	>	Vector3d getDipole() {
585	>	return ((snapshotMan_->getCurrentSnapshot())->*storage_).dipole[localIndex_];
586		}
587	<
587	>
588		/**
589	<	* Returns the unit vectors of this stuntDouble in specified snapshot
589	>	* Returns the dipole vector of this stuntDouble in specified snapshot
590		*
591	<	* @return the unit vectors of this stuntDouble
591	>	* @return the dipole vector of this stuntDouble
592		* @param snapshotNo
593		*/
594	<	RotMat3x3d getElectroFrame(int snapshotNo) {
595	<	return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).electroFrame[localIndex_];
594	>	Vector3d getDipole(int snapshotNo) {
595	>	return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).dipole[localIndex_];
596		}
597
598	+
599	+	/**
600	+	* Returns the previous quadrupole tensor of this stuntDouble
601	+	* @return the quadrupole tensor of this stuntDouble
602	+	*/
603	+	Mat3x3d getPrevQuadrupole() {
604	+	return ((snapshotMan_->getPrevSnapshot())->*storage_).quadrupole[localIndex_];
605	+	}
606	+
607	+	/**
608	+	* Returns the current quadrupole tensor of this stuntDouble
609	+	* @return the quadrupole tensor of this stuntDouble
610	+	*/
611	+	Mat3x3d getQuadrupole() {
612	+	return ((snapshotMan_->getCurrentSnapshot())->*storage_).quadrupole[localIndex_];
613	+	}
614	+
615	+	/**
616	+	* Returns the quadrupole tensor of this stuntDouble in specified snapshot
617	+	*
618	+	* @return the quadrupole tensor of this stuntDouble
619	+	* @param snapshotNo
620	+	*/
621	+	Mat3x3d getQuadrupole(int snapshotNo) {
622	+	return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).quadrupole[localIndex_];
623	+	}
624	+
625		/**
626		* Returns the previous force of this stuntDouble
627		* @return the force of this stuntDouble
#	Line 763 | Line 791 | namespace oopse{
791		}
792
793
794	+
795		/**
796	<	* Returns the previous z-angle of this stuntDouble
797	<	* @return the z-angle of this stuntDouble
796	>	* Returns the previous particlePot of this stuntDouble
797	>	* @return the particlePot of this stuntDouble
798		*/
799	<	RealType getPrevZangle() {
800	<	return ((snapshotMan_->getPrevSnapshot())->*storage_).zAngle[localIndex_];
799	>	RealType getPrevParticlePot() {
800	>	return ((snapshotMan_->getPrevSnapshot())->*storage_).particlePot[localIndex_];
801		}
802
803		/**
804	<	* Returns the current z-angle of this stuntDouble
805	<	* @return the z-angle of this stuntDouble
804	>	* Returns the current particlePot of this stuntDouble
805	>	* @return the particlePot of this stuntDouble
806		*/
807	<	RealType getZangle() {
808	<	return ((snapshotMan_->getCurrentSnapshot())->*storage_).zAngle[localIndex_];
807	>	RealType getParticlePot() {
808	>	return ((snapshotMan_->getCurrentSnapshot())->*storage_).particlePot[localIndex_];
809		}
810
811		/**
812	<	* Returns the z-angle of this stuntDouble in specified snapshot
813	<	* @return the z-angle of this stuntDouble
812	>	* Returns the particlePot of this stuntDouble in specified snapshot
813	>	*
814	>	* @return the particlePot of this stuntDouble
815		* @param snapshotNo
816		*/
817	<	RealType getZangle(int snapshotNo) {
818	<	return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).zAngle[localIndex_];
817	>	RealType getParticlePot(int snapshotNo) {
818	>	return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).particlePot[localIndex_];
819		}
820
821		/**
822	<	* Sets  the previous z-angle of this stuntDouble
823	<	* @param angle  new z-angle
824	<	* @see #getZangle
822	>	* Sets  the previous particlePot of this stuntDouble
823	>	*
824	>	* @param particlePot  new particlePot
825	>	* @see #getParticlePot
826		*/
827	<	void setPrevZangle(RealType angle) {
828	<	((snapshotMan_->getPrevSnapshot())->*storage_).zAngle[localIndex_] = angle;
827	>	void setPrevParticlePot(const RealType& particlePot) {
828	>	((snapshotMan_->getPrevSnapshot())->*storage_).particlePot[localIndex_] = particlePot;
829		}
830
831		/**
832	<	* Sets  the current z-angle of this stuntDouble
833	<	* @param angle  new z-angle
832	>	* Sets  the current particlePot of this stuntDouble
833	>	* @param particlePot  new particlePot
834		*/
835	<	void setZangle(RealType angle) {
836	<	((snapshotMan_->getCurrentSnapshot())->*storage_).zAngle[localIndex_] = angle;
835	>	void setParticlePot(const RealType& particlePot) {
836	>	((snapshotMan_->getCurrentSnapshot())->*storage_).particlePot[localIndex_] = particlePot;
837		}
838
839		/**
840	<	* Sets  the z-angle of this stuntDouble in specified snapshot
841	<	* @param angle z-angle to be set
840	>	* Sets  the particlePot of this stuntDouble in specified snapshot
841	>	*
842	>	* @param particlePot particlePot to be set
843		* @param snapshotNo
844	<	* @see #getZangle
844	>	* @see #getParticlePot
845		*/
846	<	void setZangle(RealType angle, int snapshotNo) {
847	<	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).zAngle[localIndex_] = angle;
846	>	void setParticlePot(const RealType& particlePot, int snapshotNo) {
847	>	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).particlePot[localIndex_] = particlePot;
848	>	}
849	>
850	>	/**
851	>	* Adds particlePot into the previous particlePot of this stuntDouble
852	>	*
853	>	* @param particlePot  new particlePot
854	>	* @see #getParticlePot
855	>	*/
856	>	void addPrevParticlePot(const RealType& particlePot) {
857	>	((snapshotMan_->getPrevSnapshot())->*storage_).particlePot[localIndex_] += particlePot;
858		}
859	+
860	+	/**
861	+	* Adds particlePot into the current particlePot of this stuntDouble
862	+	* @param particlePot  new particlePot
863	+	*/
864	+	void addParticlePot(const RealType& particlePot) {
865	+	((snapshotMan_->getCurrentSnapshot())->*storage_).particlePot[localIndex_] += particlePot;
866	+	}
867
868		/**
869	<	* Adds z-angle into the previous z-angle of this stuntDouble
870	<	* @param angle  new z-angle
871	<	* @see #getZangle
869	>	* Adds particlePot into the particlePot of this stuntDouble in specified snapshot
870	>	*
871	>	* @param particlePot particlePot to be add
872	>	* @param snapshotNo
873	>	* @see #getParticlePot
874		*/
875	<	void addPrevZangle(RealType angle) {
876	<	((snapshotMan_->getPrevSnapshot())->*storage_).zAngle[localIndex_] += angle;
875	>	void addParticlePot(const RealType& particlePot, int snapshotNo) {
876	>	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).particlePot[localIndex_] += particlePot;
877	>	}
878	>
879	>	/**
880	>	* Returns the previous fluctuating charge of this stuntDouble
881	>	* @return the fluctuating charge of this stuntDouble
882	>	*/
883	>	RealType getPrevFlucQPos() {
884	>	return ((snapshotMan_->getPrevSnapshot())->*storage_).flucQPos[localIndex_];
885		}
886
887		/**
888	<	* Adds z-angle into the current z-angle of this stuntDouble
889	<	* @param angle  new z-angle
888	>	* Returns the current fluctuating charge of this stuntDouble
889	>	* @return the fluctuating charge of this stuntDouble
890	>	*/
891	>	RealType getFlucQPos() {
892	>	return ((snapshotMan_->getCurrentSnapshot())->*storage_).flucQPos[localIndex_];
893	>	}
894	>
895	>	/**
896	>	* Returns the fluctuating charge of this stuntDouble in specified snapshot
897	>	* @return the fluctuating charge of this stuntDouble
898	>	* @param snapshotNo
899	>	*/
900	>	RealType getFlucQPos(int snapshotNo) {
901	>	return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).flucQPos[localIndex_];
902	>	}
903	>
904	>	/**
905	>	* Sets  the previous fluctuating charge of this stuntDouble
906	>	* @param charge  new fluctuating charge
907	>	* @see #getFlucQPos
908		*/
909	<	void addZangle(RealType angle) {
910	<	((snapshotMan_->getCurrentSnapshot())->*storage_).zAngle[localIndex_] += angle;
909	>	void setPrevFlucQPos(RealType charge) {
910	>	((snapshotMan_->getPrevSnapshot())->*storage_).flucQPos[localIndex_] = charge;
911		}
912	+
913	+	/**
914	+	* Sets  the current fluctuating charge of this stuntDouble
915	+	* @param charge  new fluctuating charge
916	+	*/
917	+	void setFlucQPos(RealType charge) {
918	+	((snapshotMan_->getCurrentSnapshot())->*storage_).flucQPos[localIndex_] = charge;
919	+	}
920
921		/**
922	<	* Adds z-angle into the z-angle of this stuntDouble in specified snapshot
923	<	* @param angle z-angle to be add
922	>	* Sets  the fluctuating charge of this stuntDouble in specified snapshot
923	>	* @param charge fluctuating charge to be set
924		* @param snapshotNo
925	<	* @see #getZangle
925	>	* @see #getFlucQPos
926		*/
927	<	void addZangle(RealType angle, int snapshotNo) {
928	<	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).zAngle[localIndex_] += angle;
927	>	void setFlucQPos(RealType charge, int snapshotNo) {
928	>	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).flucQPos[localIndex_] = charge;
929	>	}
930	>
931	>	/**
932	>	* Adds fluctuating charge into the previous fluctuating charge of this stuntDouble
933	>	* @param charge  new fluctuating charge
934	>	* @see #getFlucQPos
935	>	*/
936	>	void addPrevFlucQPos(RealType charge) {
937	>	((snapshotMan_->getPrevSnapshot())->*storage_).flucQPos[localIndex_] += charge;
938	>	}
939	>
940	>	/**
941	>	* Adds fluctuating charge into the current fluctuating charge of this stuntDouble
942	>	* @param charge  new fluctuating charge
943	>	*/
944	>	void addFlucQPos(RealType charge) {
945	>	((snapshotMan_->getCurrentSnapshot())->*storage_).flucQPos[localIndex_] += charge;
946	>	}
947	>
948	>	/**
949	>	* Adds fluctuating charge into the fluctuating charge of this stuntDouble in specified snapshot
950	>	* @param charge fluctuating charge to be add
951	>	* @param snapshotNo
952	>	* @see #getFlucQPos
953	>	*/
954	>	void addflucQPos(RealType charge, int snapshotNo) {
955	>	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).flucQPos[localIndex_] += charge;
956		}
957
958	+
959	+	/**
960	+	* Returns the previous charge velocity of this stuntDouble
961	+	* @return the charge velocity of this stuntDouble
962	+	*/
963	+	RealType getPrevFlucQVel() {
964	+	return ((snapshotMan_->getPrevSnapshot())->*storage_).flucQVel[localIndex_];
965	+	}
966	+
967	+	/**
968	+	* Returns the current charge velocity of this stuntDouble
969	+	* @return the charge velocity of this stuntDouble
970	+	*/
971	+	RealType getFlucQVel() {
972	+	return ((snapshotMan_->getCurrentSnapshot())->*storage_).flucQVel[localIndex_];
973	+	}
974	+
975	+	/**
976	+	* Returns the charge velocity of this stuntDouble in specified snapshot
977	+	* @return the charge velocity of this stuntDouble
978	+	* @param snapshotNo
979	+	*/
980	+	RealType getFlucQVel(int snapshotNo) {
981	+	return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).flucQVel[localIndex_];
982	+	}
983	+
984	+	/**
985	+	* Sets  the previous charge velocity of this stuntDouble
986	+	* @param cvel  new charge velocity
987	+	* @see #getFlucQVel
988	+	*/
989	+	void setPrevFlucQVel(RealType cvel) {
990	+	((snapshotMan_->getPrevSnapshot())->*storage_).flucQVel[localIndex_] = cvel;
991	+	}
992	+
993	+	/**
994	+	* Sets  the current charge velocity of this stuntDouble
995	+	* @param cvel  new charge velocity
996	+	*/
997	+	void setFlucQVel(RealType cvel) {
998	+	((snapshotMan_->getCurrentSnapshot())->*storage_).flucQVel[localIndex_] = cvel;
999	+	}
1000	+
1001	+	/**
1002	+	* Sets  the charge velocity of this stuntDouble in specified snapshot
1003	+	* @param cvel charge velocity to be set
1004	+	* @param snapshotNo
1005	+	* @see #getFlucQVel
1006	+	*/
1007	+	void setFlucQVel(RealType cvel, int snapshotNo) {
1008	+	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).flucQVel[localIndex_] = cvel;
1009	+	}
1010	+
1011	+	/**
1012	+	* Adds charge velocity into the previous charge velocity of this stuntDouble
1013	+	* @param cvel  new charge velocity
1014	+	* @see #getFlucQVel
1015	+	*/
1016	+	void addPrevFlucQVel(RealType cvel) {
1017	+	((snapshotMan_->getPrevSnapshot())->*storage_).flucQVel[localIndex_] += cvel;
1018	+	}
1019	+
1020	+	/**
1021	+	* Adds charge velocity into the current charge velocity of this stuntDouble
1022	+	* @param cvel  new charge velocity
1023	+	*/
1024	+	void addFlucQVel(RealType cvel) {
1025	+	((snapshotMan_->getCurrentSnapshot())->*storage_).flucQVel[localIndex_] += cvel;
1026	+	}
1027	+
1028	+	/**
1029	+	* Adds charge velocity into the charge velocity of this stuntDouble in specified snapshot
1030	+	* @param cvel charge velocity to be add
1031	+	* @param snapshotNo
1032	+	* @see #getFlucQVel
1033	+	*/
1034	+	void addflucQVel(RealType cvel, int snapshotNo) {
1035	+	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).flucQVel[localIndex_] += cvel;
1036	+	}
1037	+
1038	+
1039	+	/**
1040	+	* Returns the previous charge force of this stuntDouble
1041	+	* @return the charge force of this stuntDouble
1042	+	*/
1043	+	RealType getPrevFlucQFrc() {
1044	+	return ((snapshotMan_->getPrevSnapshot())->*storage_).flucQFrc[localIndex_];
1045	+	}
1046	+
1047	+	/**
1048	+	* Returns the current charge force of this stuntDouble
1049	+	* @return the charge force of this stuntDouble
1050	+	*/
1051	+	RealType getFlucQFrc() {
1052	+	return ((snapshotMan_->getCurrentSnapshot())->*storage_).flucQFrc[localIndex_];
1053	+	}
1054	+
1055	+	/**
1056	+	* Returns the charge force of this stuntDouble in specified snapshot
1057	+	* @return the charge force of this stuntDouble
1058	+	* @param snapshotNo
1059	+	*/
1060	+	RealType getFlucQFrc(int snapshotNo) {
1061	+	return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).flucQFrc[localIndex_];
1062	+	}
1063	+
1064	+	/**
1065	+	* Sets  the previous charge force of this stuntDouble
1066	+	* @param cfrc  new charge force
1067	+	* @see #getFlucQFrc
1068	+	*/
1069	+	void setPrevFlucQFrc(RealType cfrc) {
1070	+	((snapshotMan_->getPrevSnapshot())->*storage_).flucQFrc[localIndex_] = cfrc;
1071	+	}
1072	+
1073	+	/**
1074	+	* Sets  the current charge force of this stuntDouble
1075	+	* @param cfrc  new charge force
1076	+	*/
1077	+	void setFlucQFrc(RealType cfrc) {
1078	+	((snapshotMan_->getCurrentSnapshot())->*storage_).flucQFrc[localIndex_] = cfrc;
1079	+	}
1080	+
1081	+	/**
1082	+	* Sets  the charge force of this stuntDouble in specified snapshot
1083	+	* @param cfrc charge force to be set
1084	+	* @param snapshotNo
1085	+	* @see #getFlucQFrc
1086	+	*/
1087	+	void setFlucQFrc(RealType cfrc, int snapshotNo) {
1088	+	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).flucQFrc[localIndex_] = cfrc;
1089	+	}
1090	+
1091	+	/**
1092	+	* Adds charge force into the previous charge force of this stuntDouble
1093	+	* @param cfrc   charge force to be added
1094	+	* @see #getFlucQFrc
1095	+	*/
1096	+	void addPrevFlucQFrc(RealType cfrc) {
1097	+	((snapshotMan_->getPrevSnapshot())->*storage_).flucQFrc[localIndex_] += cfrc;
1098	+	}
1099	+
1100	+	/**
1101	+	* Adds charge force into the current charge force of this stuntDouble
1102	+	* @param cfrc   charge force to be added
1103	+	*/
1104	+	void addFlucQFrc(RealType cfrc) {
1105	+	((snapshotMan_->getCurrentSnapshot())->*storage_).flucQFrc[localIndex_] += cfrc;
1106	+	}
1107	+
1108	+	/**
1109	+	* Adds charge force into the charge force of this stuntDouble in specified snapshot
1110	+	* @param cfrc charge force to be added
1111	+	* @param snapshotNo
1112	+	* @see #getFlucQFrc
1113	+	*/
1114	+	void addflucQFrc(RealType cfrc, int snapshotNo) {
1115	+	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).flucQFrc[localIndex_] += cfrc;
1116	+	}
1117	+
1118	+
1119	+	/**
1120	+	* Returns the previous electric field of this stuntDouble
1121	+	* @return the electric field of this stuntDouble
1122	+	*/
1123	+	Vector3d getPrevElectricField() {
1124	+	return ((snapshotMan_->getPrevSnapshot())->*storage_).electricField[localIndex_];
1125	+	}
1126	+
1127	+	/**
1128	+	* Returns the current electric field of this stuntDouble
1129	+	* @return the electric field of this stuntDouble
1130	+	*/
1131	+	Vector3d getElectricField() {
1132	+	return ((snapshotMan_->getCurrentSnapshot())->*storage_).electricField[localIndex_];
1133	+	}
1134	+
1135	+	/**
1136	+	* Returns the electric field of this stuntDouble in specified snapshot
1137	+	* @return the electric field of this stuntDouble
1138	+	* @param snapshotNo
1139	+	*/
1140	+	Vector3d getElectricField(int snapshotNo) {
1141	+	return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).electricField[localIndex_];
1142	+	}
1143	+
1144	+	/**
1145	+	* Sets  the previous electric field of this stuntDouble
1146	+	* @param pos  new electric field
1147	+	* @see #getElectricField
1148	+	*/
1149	+	void setPrevElectricField(const Vector3d& pos) {
1150	+	((snapshotMan_->getPrevSnapshot())->*storage_).electricField[localIndex_] = pos;
1151	+	}
1152	+
1153	+	/**
1154	+	* Sets  the current electric field of this stuntDouble
1155	+	* @param pos  new electric field
1156	+	*/
1157	+	void setElectricField(const Vector3d& pos) {
1158	+	DataStorage&  data = snapshotMan_->getCurrentSnapshot()->*storage_;
1159	+	data.electricField[localIndex_] = pos;
1160	+	//((snapshotMan_->getCurrentSnapshot())->*storage_).electricField[localIndex_] = pos;
1161	+	}
1162	+
1163	+	/**
1164	+	* Sets  the electric field of this stuntDouble in specified snapshot
1165	+	* @param pos electric field to be set
1166	+	* @param snapshotNo
1167	+	* @see #getElectricField
1168	+	*/
1169	+	void setElectricField(const Vector3d& pos, int snapshotNo) {
1170	+
1171	+	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).electricField[localIndex_] = pos;
1172	+
1173	+	}
1174	+
1175	+
1176		/** Set the force of this stuntDouble to zero */
1177		void zeroForcesAndTorques();
1178		/**
#	Line 925 | Line 1256 | namespace oopse{
1256		}
1257
1258		/**
928	–	* Returns the previous particle potential of this stuntDouble
929	–	* @return the particle potential of this stuntDouble
930	–	*/
931	–	RealType getPrevParticlePot() {
932	–	return ((snapshotMan_->getPrevSnapshot())->*storage_).particlePot[localIndex_];
933	–	}
934	–
935	–	/**
936	–	* Returns the current particle potential of this stuntDouble
937	–	* @return the particle potential of this stuntDouble
938	–	*/
939	–	RealType getParticlePot() {
940	–	return ((snapshotMan_->getCurrentSnapshot())->*storage_).particlePot[localIndex_];
941	–	}
942	–
943	–	/**
944	–	* Returns the particle potential of this stuntDouble in specified snapshot
945	–	* @return the particle potential of this stuntDouble
946	–	* @param snapshotNo
947	–	*/
948	–	RealType getParticlePot(int snapshotNo) {
949	–	return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).particlePot[localIndex_];
950	–	}
951	–
952	–	/**
953	–	* Sets  the previous particle potential of this stuntDouble
954	–	* @param po tnew particle potential
955	–	* @see #getParticlePot
956	–	*/
957	–	void setPrevParticlePot(RealType pot) {
958	–	((snapshotMan_->getPrevSnapshot())->*storage_).particlePot[localIndex_] = pot;
959	–	}
960	–
961	–	/**
962	–	* Sets  the current velocity of this stuntDouble
963	–	* @param vel  new velocity
964	–	*/
965	–	void setParticlePot(RealType pot) {
966	–	((snapshotMan_->getCurrentSnapshot())->*storage_).particlePot[localIndex_] = pot;
967	–	}
968	–
969	–	/**
970	–	* Sets  the particle potential of this stuntDouble in specified snapshot
971	–	* @param pot potential to be set
972	–	* @param snapshotNo
973	–	* @see #getVel
974	–	*/
975	–	void setParticlePot(RealType pot, int snapshotNo) {
976	–	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).particlePot[localIndex_] = pot;
977	–	}
978	–
979	–	/**
1259		* <p>
1260	<	* The purpose of the Visitor Pattern is to encapsulate an operation that you want to perform on
1261	<	* the elements of a data structure. In this way, you can change the operation being performed
1262	<	* on a structure without the need of changing the classes of the elements that you are operating
1263	<	* on. Using a Visitor pattern allows you to decouple the classes for the data structure and the
1264	<	* algorithms used upon them
1260	>	* The purpose of the Visitor Pattern is to encapsulate an
1261	>	* operation that you want to perform on the elements of a data
1262	>	* structure. In this way, you can change the operation being
1263	>	* performed on a structure without the need of changing the
1264	>	* classes of the elements that you are operating on. Using a
1265	>	* Visitor pattern allows you to decouple the classes for the data
1266	>	* structure and the algorithms used upon them
1267		* </p>
1268		* @param v visitor
1269		*/
#	Line 1053 | Line 1334 | namespace oopse{
1334		PropertyMap properties_;
1335		};
1336
1337	<	}//end namespace oopse
1337	>	}//end namespace OpenMD
1338		#endif //PRIMITIVES_STUNTDOUBLE_HPP

Comparing:
trunk/src/primitives/StuntDouble.hpp (property svn:keywords), Revision 1245 by chuckv, Tue May 27 16:39:06 2008 UTC vs.
branches/development/src/primitives/StuntDouble.hpp (property svn:keywords), Revision 1808 by gezelter, Mon Oct 22 20:42:10 2012 UTC

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