--- trunk/src/brains/Register.cpp 2005/11/14 21:29:36 728 +++ trunk/src/brains/Register.cpp 2005/12/05 22:23:57 788 @@ -62,10 +62,22 @@ #include "UseTheForce/ForceFieldCreator.hpp" #include "UseTheForce/SHAPES_FF.hpp" #include "UseTheForce/SC_FF.hpp" +#include "UseTheForce/CLAYFF.hpp" #include "lattice/LatticeFactory.hpp" #include "lattice/LatticeCreator.hpp" #include "lattice/FCCLattice.hpp" +#include "openbabel/amberformat.hpp" +#include "openbabel/fingerprintformat.hpp" +#include "openbabel/gromos96format.hpp" +#include "openbabel/oopseformat.hpp" +#include "openbabel/pdbformat.hpp" +#include "openbabel/povrayformat.hpp" +#include "openbabel/smilesformat.hpp" +#include "openbabel/tinkerformat.hpp" +#include "openbabel/xyzformat.hpp" + + namespace oopse { @@ -81,6 +93,7 @@ namespace oopse { ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("SHAPES")); //Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not). ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("SC")); + ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("CLAY")); } void registerIntegrators() { @@ -103,6 +116,17 @@ namespace oopse { LatticeFactory::getInstance()->registerLattice(new LatticeBuilder("FCC")); } + void registerOBFormats(){ + static OpenBabel::AmberPrepFormat amberFormatInstance; + static OpenBabel::FingerprintFormat fingerprintFormatInstance; + static OpenBabel::OOPSEFormat oopseFormatInstance; + static OpenBabel::PDBFormat pdbFormatInstance; + static OpenBabel::PovrayFormat povaryFormatInstance; + static OpenBabel::SMIFormat smilesFormatInstance; + static OpenBabel::TinkerFormat tinkerFormatInstance; + static OpenBabel::XYZFormat xyzFormatInstance; + } + void registerAll() { registerForceFields(); registerIntegrators();