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root/OpenMD/trunk/src/brains/Register.cpp
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Comparing trunk/src/brains/Register.cpp (file contents):
Revision 728 by chuckv, Mon Nov 14 21:29:36 2005 UTC vs.
Revision 788 by gezelter, Mon Dec 5 22:23:57 2005 UTC

# Line 62 | Line 62
62   #include "UseTheForce/ForceFieldCreator.hpp"
63   #include "UseTheForce/SHAPES_FF.hpp"
64   #include "UseTheForce/SC_FF.hpp"
65 + #include "UseTheForce/CLAYFF.hpp"
66   #include "lattice/LatticeFactory.hpp"
67   #include "lattice/LatticeCreator.hpp"
68   #include "lattice/FCCLattice.hpp"
69  
70 + #include "openbabel/amberformat.hpp"
71 + #include "openbabel/fingerprintformat.hpp"
72 + #include "openbabel/gromos96format.hpp"
73 + #include "openbabel/oopseformat.hpp"
74 + #include "openbabel/pdbformat.hpp"
75 + #include "openbabel/povrayformat.hpp"
76 + #include "openbabel/smilesformat.hpp"
77 + #include "openbabel/tinkerformat.hpp"
78 + #include "openbabel/xyzformat.hpp"
79 +
80 +
81   namespace oopse {
82  
83  
# Line 81 | Line 93 | namespace oopse {
93      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SHAPES_FF>("SHAPES"));
94      //Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not).
95      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SC_FF>("SC"));
96 +    ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<CLAYFF>("CLAY"));
97    }
98  
99    void registerIntegrators() {
# Line 103 | Line 116 | namespace oopse {
116      LatticeFactory::getInstance()->registerLattice(new LatticeBuilder<FCCLattice>("FCC"));
117    }
118  
119 +  void registerOBFormats(){
120 +    static OpenBabel::AmberPrepFormat amberFormatInstance;
121 +    static OpenBabel::FingerprintFormat fingerprintFormatInstance;
122 +    static OpenBabel::OOPSEFormat oopseFormatInstance;    
123 +    static OpenBabel::PDBFormat pdbFormatInstance;
124 +    static OpenBabel::PovrayFormat povaryFormatInstance;
125 +    static OpenBabel::SMIFormat smilesFormatInstance;
126 +    static OpenBabel::TinkerFormat tinkerFormatInstance;
127 +    static OpenBabel::XYZFormat xyzFormatInstance;    
128 +  }
129 +  
130    void registerAll() {
131      registerForceFields();
132      registerIntegrators();

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