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#include "lattice/LatticeCreator.hpp" |
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#include "lattice/FCCLattice.hpp" |
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|
69 |
+ |
#include "openbabel/amberformat.hpp" |
70 |
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#include "openbabel/fingerprintformat.hpp" |
71 |
+ |
#include "openbabel/gromos96format.hpp" |
72 |
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#include "openbabel/oopseformat.hpp" |
73 |
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#include "openbabel/pdbformat.hpp" |
74 |
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#include "openbabel/povrayformat.hpp" |
75 |
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#include "openbabel/smilesformat.hpp" |
76 |
+ |
#include "openbabel/tinkerformat.hpp" |
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+ |
#include "openbabel/xyzformat.hpp" |
78 |
+ |
|
79 |
+ |
|
80 |
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namespace oopse { |
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|
|
82 |
|
|
114 |
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LatticeFactory::getInstance()->registerLattice(new LatticeBuilder<FCCLattice>("FCC")); |
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} |
116 |
|
|
117 |
+ |
void registerOBFormats(){ |
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static OpenBabel::AmberPrepFormat amberFormatInstance; |
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+ |
static OpenBabel::FingerprintFormat fingerprintFormatInstance; |
120 |
+ |
static OpenBabel::OOPSEFormat oopseFormatInstance; |
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static OpenBabel::PDBFormat pdbFormatInstance; |
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static OpenBabel::PovrayFormat povaryFormatInstance; |
123 |
+ |
static OpenBabel::SMIFormat smilesFormatInstance; |
124 |
+ |
static OpenBabel::TinkerFormat tinkerFormatInstance; |
125 |
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static OpenBabel::XYZFormat xyzFormatInstance; |
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} |
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+ |
|
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|
void registerAll() { |
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registerForceFields(); |
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registerIntegrators(); |