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root/OpenMD/branches/development/src/primitives/StuntDouble.hpp
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Comparing branches/development/src/primitives/StuntDouble.hpp (file contents):
Revision 1710 by gezelter, Fri May 18 21:44:02 2012 UTC vs.
Revision 1787 by gezelter, Wed Aug 29 18:13:11 2012 UTC

# Line 568 | Line 568 | namespace OpenMD{
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 <      
579 >    
580      /**
581 <     * Returns the current unit vectors of this stuntDouble
582 <     * @return the unit vectors of this stuntDouble
581 >     * Returns the current dipole vector of this stuntDouble
582 >     * @return the dipole vector of this stuntDouble
583       */    
584 <    RotMat3x3d getElectroFrame() {
585 <      return ((snapshotMan_->getCurrentSnapshot())->*storage_).electroFrame[localIndex_];
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 849 | Line 876 | namespace OpenMD{
876        ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).particlePot[localIndex_] += particlePot;
877      }      
878  
852 –
879      /**
854 –     * Returns the previous z-angle of this stuntDouble
855 –     * @return the z-angle of this stuntDouble
856 –     */    
857 –    RealType getPrevZangle() {
858 –      return ((snapshotMan_->getPrevSnapshot())->*storage_).zAngle[localIndex_];
859 –    }
860 –      
861 –    /**
862 –     * Returns the current z-angle of this stuntDouble
863 –     * @return the z-angle of this stuntDouble
864 –     */    
865 –    RealType getZangle() {
866 –      return ((snapshotMan_->getCurrentSnapshot())->*storage_).zAngle[localIndex_];
867 –    }
868 –
869 –    /**
870 –     * Returns the z-angle of this stuntDouble in specified snapshot
871 –     * @return the z-angle of this stuntDouble
872 –     * @param snapshotNo
873 –     */    
874 –    RealType getZangle(int snapshotNo) {
875 –      return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).zAngle[localIndex_];
876 –    }
877 –
878 –    /**
879 –     * Sets  the previous z-angle of this stuntDouble
880 –     * @param angle  new z-angle
881 –     * @see #getZangle
882 –     */        
883 –    void setPrevZangle(RealType angle) {
884 –      ((snapshotMan_->getPrevSnapshot())->*storage_).zAngle[localIndex_] = angle;
885 –    }
886 –      
887 –    /**
888 –     * Sets  the current z-angle of this stuntDouble
889 –     * @param angle  new z-angle
890 –     */        
891 –    void setZangle(RealType angle) {
892 –      ((snapshotMan_->getCurrentSnapshot())->*storage_).zAngle[localIndex_] = angle;
893 –    }
894 –
895 –    /**
896 –     * Sets  the z-angle of this stuntDouble in specified snapshot
897 –     * @param angle z-angle to be set
898 –     * @param snapshotNo
899 –     * @see #getZangle
900 –     */        
901 –    void setZangle(RealType angle, int snapshotNo) {
902 –      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).zAngle[localIndex_] = angle;
903 –    }
904 –
905 –    /**
906 –     * Adds z-angle into the previous z-angle of this stuntDouble
907 –     * @param angle  new z-angle
908 –     * @see #getZangle
909 –     */        
910 –    void addPrevZangle(RealType angle) {
911 –      ((snapshotMan_->getPrevSnapshot())->*storage_).zAngle[localIndex_] += angle;
912 –    }
913 –      
914 –    /**
915 –     * Adds z-angle into the current z-angle of this stuntDouble
916 –     * @param angle  new z-angle
917 –     */        
918 –    void addZangle(RealType angle) {
919 –      ((snapshotMan_->getCurrentSnapshot())->*storage_).zAngle[localIndex_] += angle;
920 –    }
921 –
922 –    /**
923 –     * Adds z-angle into the z-angle of this stuntDouble in specified snapshot
924 –     * @param angle z-angle to be add
925 –     * @param snapshotNo
926 –     * @see #getZangle
927 –     */        
928 –    void addZangle(RealType angle, int snapshotNo) {
929 –      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).zAngle[localIndex_] += angle;
930 –    }      
931 –
932 –
933 –    /**
880       * Returns the previous fluctuating charge of this stuntDouble
881       * @return the fluctuating charge of this stuntDouble
882       */    
# Line 1168 | Line 1114 | namespace OpenMD{
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      /**

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