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#include "applications/hydrodynamics/Ellipsoid.hpp" |
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#include "applications/hydrodynamics/CompositeShape.hpp" |
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namespace oopse { |
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|
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Shape* ShapeBuilder::createShape(StuntDouble* sd) { |
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|
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Shape* ShapeBuilder::createShape(StuntDouble* sd) { |
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Shape* currShape = NULL; |
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if (sd->isDirectionalAtom()) { |
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currShape = internalCreateShape(static_cast<DirectionalAtom*>(sd)); |
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} else if (sd->isAtom()) { |
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currShape = internalCreateShape(static_cast<Atom*>(sd)); |
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} else if (sd->isRigidBody()) { |
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currShape = internalCreateShape(static_cast<RigidBody*>(sd)); |
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} |
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|
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|
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|
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return currShape; |
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|
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} |
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|
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Shape* ShapeBuilder::internalCreateShape(Atom* atom) { |
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if (sd->isDirectionalAtom()) { |
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currShape = internalCreateShape(static_cast<DirectionalAtom*>(sd)); |
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} else if (sd->isAtom()) { |
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currShape = internalCreateShape(static_cast<Atom*>(sd)); |
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} else if (sd->isRigidBody()) { |
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currShape = internalCreateShape(static_cast<RigidBody*>(sd)); |
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} |
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return currShape; |
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} |
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|
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Shape* ShapeBuilder::internalCreateShape(Atom* atom) { |
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AtomType* atomType = atom->getAtomType(); |
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Shape* currShape = NULL; |
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if (atomType->isLennardJones()){ |
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GenericData* data = atomType->getPropertyByName("LennardJones"); |
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if (data != NULL) { |
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LJParamGenericData* ljData = dynamic_cast<LJParamGenericData*>(data); |
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|
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if (ljData != NULL) { |
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LJParam ljParam = ljData->getData(); |
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currShape = new Spheric(atom->getPos(), ljParam.sigma/2.0); |
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GenericData* data = atomType->getPropertyByName("LennardJones"); |
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if (data != NULL) { |
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LJParamGenericData* ljData = dynamic_cast<LJParamGenericData*>(data); |
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|
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if (ljData != NULL) { |
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LJParam ljParam = ljData->getData(); |
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currShape = new Spheric(atom->getPos(), ljParam.sigma/2.0); |
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} else { |
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sprintf( painCave.errMsg, |
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"Can not cast GenericData to LJParam\n"); |
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painCave.severity = OOPSE_ERROR; |
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painCave.isFatal = 1; |
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simError(); |
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} |
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} |
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|
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} |
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|
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sprintf( painCave.errMsg, |
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"Can not cast GenericData to LJParam\n"); |
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painCave.severity = OOPSE_ERROR; |
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painCave.isFatal = 1; |
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simError(); |
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} |
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} |
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} else if (atomType->isEAM()) { |
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GenericData* data = atomType->getPropertyByName("EAM"); |
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if (data != NULL) { |
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EAMParamGenericData* eamData = dynamic_cast<EAMParamGenericData*>(data); |
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|
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if (eamData != NULL) { |
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EAMParam eamParam = eamData->getData(); |
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currShape = new Spheric(atom->getPos(), eamParam.rcut); |
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} else { |
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sprintf( painCave.errMsg, |
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> |
"Can not cast GenericData to EAMParam\n"); |
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> |
painCave.severity = OOPSE_ERROR; |
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painCave.isFatal = 1; |
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simError(); |
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} |
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} |
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} |
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return currShape; |
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} |
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|
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Shape* ShapeBuilder::internalCreateShape(DirectionalAtom* datom) { |
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} |
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|
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Shape* ShapeBuilder::internalCreateShape(DirectionalAtom* datom) { |
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AtomType* atomType = datom->getAtomType(); |
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Shape* currShape = NULL; |
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if (atomType->isGayBerne()) { |
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DirectionalAtomType* dAtomType = dynamic_cast<DirectionalAtomType*>(atomType); |
103 |
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|
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GenericData* data = dAtomType->getPropertyByName("GayBerne"); |
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if (data != NULL) { |
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GayBerneParamGenericData* gayBerneData = dynamic_cast<GayBerneParamGenericData*>(data); |
107 |
< |
|
108 |
< |
if (gayBerneData != NULL) { |
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GayBerneParam gayBerneParam = gayBerneData->getData(); |
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currShape = new Ellipsoid(datom->getPos(), gayBerneParam.GB_sigma/2.0, gayBerneParam.GB_l2b_ratio*gayBerneParam.GB_sigma/2.0, datom->getA()); |
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} else { |
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sprintf( painCave.errMsg, |
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< |
"Can not cast GenericData to GayBerneParam\n"); |
104 |
< |
painCave.severity = OOPSE_ERROR; |
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< |
painCave.isFatal = 1; |
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< |
simError(); |
107 |
< |
} |
102 |
> |
DirectionalAtomType* dAtomType = dynamic_cast<DirectionalAtomType*>(atomType); |
103 |
> |
|
104 |
> |
GenericData* data = dAtomType->getPropertyByName("GayBerne"); |
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> |
if (data != NULL) { |
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> |
GayBerneParamGenericData* gayBerneData = dynamic_cast<GayBerneParamGenericData*>(data); |
107 |
> |
|
108 |
> |
if (gayBerneData != NULL) { |
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> |
GayBerneParam gayBerneParam = gayBerneData->getData(); |
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> |
currShape = new Ellipsoid(datom->getPos(), gayBerneParam.GB_sigma/2.0, gayBerneParam.GB_l2b_ratio*gayBerneParam.GB_sigma/2.0, datom->getA()); |
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} else { |
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sprintf( painCave.errMsg, "Can not find Parameters for GayBerne\n"); |
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painCave.severity = OOPSE_ERROR; |
114 |
< |
painCave.isFatal = 1; |
115 |
< |
simError(); |
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< |
} |
117 |
< |
}else if (atomType->isLennardJones()){ |
118 |
< |
GenericData* data = atomType->getPropertyByName("LennardJones"); |
119 |
< |
if (data != NULL) { |
120 |
< |
LJParamGenericData* ljData = dynamic_cast<LJParamGenericData*>(data); |
121 |
< |
|
122 |
< |
if (ljData != NULL) { |
123 |
< |
LJParam ljParam = ljData->getData(); |
124 |
< |
currShape = new Spheric(datom->getPos(), ljParam.sigma/2.0); |
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> |
sprintf( painCave.errMsg, |
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> |
"Can not cast GenericData to GayBerneParam\n"); |
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> |
painCave.severity = OOPSE_ERROR; |
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> |
painCave.isFatal = 1; |
116 |
> |
simError(); |
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> |
} |
118 |
> |
} else { |
119 |
> |
sprintf( painCave.errMsg, "Can not find Parameters for GayBerne\n"); |
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> |
painCave.severity = OOPSE_ERROR; |
121 |
> |
painCave.isFatal = 1; |
122 |
> |
simError(); |
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> |
} |
124 |
> |
} else if (atomType->isLennardJones()) { |
125 |
> |
GenericData* data = atomType->getPropertyByName("LennardJones"); |
126 |
> |
if (data != NULL) { |
127 |
> |
LJParamGenericData* ljData = dynamic_cast<LJParamGenericData*>(data); |
128 |
> |
|
129 |
> |
if (ljData != NULL) { |
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> |
LJParam ljParam = ljData->getData(); |
131 |
> |
currShape = new Spheric(datom->getPos(), ljParam.sigma/2.0); |
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|
} else { |
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+ |
sprintf( painCave.errMsg, |
134 |
+ |
"Can not cast GenericData to LJParam\n"); |
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+ |
painCave.severity = OOPSE_ERROR; |
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+ |
painCave.isFatal = 1; |
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+ |
simError(); |
138 |
+ |
} |
139 |
+ |
} else if (atomType->isEAM()) { |
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+ |
GenericData* data = atomType->getPropertyByName("EAM"); |
141 |
+ |
if (data != NULL) { |
142 |
+ |
EAMParamGenericData* eamData = dynamic_cast<EAMParamGenericData*>(data); |
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+ |
if (eamData != NULL) { |
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+ |
EAMParam eamParam = eamData->getData(); |
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+ |
currShape = new Spheric(datom->getPos(), eamParam.rcut); |
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} else { |
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|
sprintf( painCave.errMsg, |
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< |
"Can not cast GenericData to LJParam\n"); |
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> |
"Can not cast GenericData to EAMParam\n"); |
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|
painCave.severity = OOPSE_ERROR; |
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|
painCave.isFatal = 1; |
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|
simError(); |
152 |
< |
} |
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> |
} |
153 |
|
} |
154 |
< |
|
154 |
> |
} |
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|
} |
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|
return currShape; |
157 |
< |
} |
134 |
< |
Shape* ShapeBuilder::internalCreateShape(RigidBody* rb) { |
157 |
> |
} |
158 |
|
|
159 |
< |
std::vector<Atom*>::iterator ai; |
160 |
< |
CompositeShape* compositeShape = new CompositeShape; |
161 |
< |
Atom* atom; |
162 |
< |
for (atom = rb->beginAtom(ai); atom != NULL; atom = rb->nextAtom(ai)) { |
163 |
< |
Shape* currShape = NULL; |
164 |
< |
if (atom->isDirectionalAtom()){ |
165 |
< |
currShape = internalCreateShape(static_cast<DirectionalAtom*>(atom)); |
166 |
< |
}else if (atom->isAtom()){ |
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< |
currShape = internalCreateShape(static_cast<Atom*>(atom)); |
168 |
< |
} |
169 |
< |
if (currShape != NULL) |
170 |
< |
compositeShape->addShape(currShape); |
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< |
} |
172 |
< |
|
173 |
< |
return compositeShape; |
159 |
> |
Shape* ShapeBuilder::internalCreateShape(RigidBody* rb) { |
160 |
> |
|
161 |
> |
std::vector<Atom*>::iterator ai; |
162 |
> |
CompositeShape* compositeShape = new CompositeShape; |
163 |
> |
Atom* atom; |
164 |
> |
for (atom = rb->beginAtom(ai); atom != NULL; atom = rb->nextAtom(ai)) { |
165 |
> |
Shape* currShape = NULL; |
166 |
> |
if (atom->isDirectionalAtom()){ |
167 |
> |
currShape = internalCreateShape(static_cast<DirectionalAtom*>(atom)); |
168 |
> |
}else if (atom->isAtom()){ |
169 |
> |
currShape = internalCreateShape(static_cast<Atom*>(atom)); |
170 |
> |
} |
171 |
> |
if (currShape != NULL) |
172 |
> |
compositeShape->addShape(currShape); |
173 |
> |
} |
174 |
> |
|
175 |
> |
return compositeShape; |
176 |
> |
} |
177 |
|
} |
152 |
– |
|
153 |
– |
} |