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root/group/branches/new_design/OOPSE-4/src/types/AtomType.hpp
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Comparing branches/new_design/OOPSE-4/src/types/AtomType.hpp (file contents):
Revision 1812 by tim, Mon Nov 29 14:40:30 2004 UTC vs.
Revision 1813 by tim, Wed Dec 1 17:38:32 2004 UTC

# Line 67 | Line 67 | namespace oopse {
67                  return atp.is_LennardJones;
68              }
69  
70 –            void setElectrostatic() {
71 –                atp.is_Electrostatic = 1;
72 –            }
70  
71              bool isElectrostatic() {
72 <                return atp.is_Electrostatic;
72 >                return isCharge() || isMultipole();
73              }
74  
75              void setEAM() {
# Line 85 | Line 82 | namespace oopse {
82  
83              void setCharge() {
84                  atp.is_Charge = 1;
88 –                atp.is_Electrostatic = 1;
85              }
86  
87              bool isCharge() {
# Line 100 | Line 96 | namespace oopse {
96                  return atp.is_Dipole;
97              }
98  
99 +            bool isQuadrupole() {
100 +                return atp.is_Quadrupole;
101 +            }
102 +            
103 +            bool isMultipole() {
104 +                return isDipole() || isQuadrupole();
105 +            }
106 +
107              bool isGayBerne() {
108                  return atp.is_GayBerne;
109              }

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