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#include "brains/SimInfo.hpp" |
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#include "types/AtomStamp.hpp" |
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< |
#include "types/BpndStamp.hpp" |
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> |
#include "types/BondStamp.hpp" |
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#include "types/BendStamp.hpp" |
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#include "types/CutoffGroupStamp.hpp" |
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#include "types/RigidBodyStamp.hpp" |
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#include "types/TorsionStamp.hpp" |
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< |
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> |
#include "primitives/Molecule.hpp" |
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namespace oopse { |
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/** |
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class MoleculeCreator { |
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public: |
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virtual Molecule* createMolecule(ForceField* ff, MoleculeStamp *molStamp, |
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< |
int stampId, int globalIndex); |
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> |
int stampId, int globalIndex, LocalIndexManager* localIndexMan); |
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protected: |
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/** Create an atom by its stamp */ |
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< |
virtual Atom* createAtom(ForceField* ff, Molecule* mol, AtomStamp* stamp); |
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> |
virtual Atom* createAtom(ForceField* ff, Molecule* mol, AtomStamp* stamp, |
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> |
LocalIndexManager* localIndexMan); |
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|
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virtual RigidBody* createRigidBody(MoleculeStamp *molStamp, Molecule* mol, |
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< |
RigidBodyStamp* stamp); |
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> |
RigidBodyStamp* rbStamp, LocalIndexManager* localIndexMan); |
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> |
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virtual Bond* createBond(ForceField* ff, Molecule* mol, BondStamp* stamp); |
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virtual Bend* createBend(ForceField* ff, Molecule* mol, BendStamp* stamp); |
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virtual Torsion* createTorsion(ForceField* ff, Molecule* mol, TorsionStamp* stamp); |
