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root/OpenMD/trunk/src/applications/hydrodynamics/ShapeBuilder.cpp
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Comparing trunk/src/applications/hydrodynamics/ShapeBuilder.cpp (file contents):
Revision 908 by tim, Mon Mar 20 19:12:14 2006 UTC vs.
Revision 944 by gezelter, Tue Apr 25 02:06:12 2006 UTC

# Line 43 | Line 43 | namespace oopse {
43   #include "applications/hydrodynamics/Ellipsoid.hpp"
44   #include "applications/hydrodynamics/CompositeShape.hpp"
45   namespace oopse {
46 <
47 < Shape* ShapeBuilder::createShape(StuntDouble* sd) {
46 >  
47 >  Shape* ShapeBuilder::createShape(StuntDouble* sd) {
48      Shape* currShape = NULL;
49 <            if (sd->isDirectionalAtom()) {
50 <              currShape = internalCreateShape(static_cast<DirectionalAtom*>(sd));
51 <            } else if (sd->isAtom()) {
52 <                currShape = internalCreateShape(static_cast<Atom*>(sd));
53 <            } else if (sd->isRigidBody()) {
54 <                currShape = internalCreateShape(static_cast<RigidBody*>(sd));
55 <            }
56 <            
57 <
58 <        
59 <        return currShape;
60 <
61 < }
62 <
63 < Shape* ShapeBuilder::internalCreateShape(Atom* atom) {
49 >    if (sd->isDirectionalAtom()) {
50 >      currShape = internalCreateShape(static_cast<DirectionalAtom*>(sd));
51 >    } else if (sd->isAtom()) {
52 >      currShape = internalCreateShape(static_cast<Atom*>(sd));
53 >    } else if (sd->isRigidBody()) {
54 >      currShape = internalCreateShape(static_cast<RigidBody*>(sd));
55 >    }      
56 >    return currShape;  
57 >  }
58 >  
59 >  Shape* ShapeBuilder::internalCreateShape(Atom* atom) {
60      AtomType* atomType = atom->getAtomType();
61      Shape* currShape = NULL;
62      if (atomType->isLennardJones()){
63 <        GenericData* data = atomType->getPropertyByName("LennardJones");
64 <        if (data != NULL) {
65 <            LJParamGenericData* ljData = dynamic_cast<LJParamGenericData*>(data);
66 <
67 <            if (ljData != NULL) {
68 <                LJParam ljParam = ljData->getData();
69 <                currShape = new Spheric(atom->getPos(), ljParam.sigma/2.0);
63 >      GenericData* data = atomType->getPropertyByName("LennardJones");
64 >      if (data != NULL) {
65 >        LJParamGenericData* ljData = dynamic_cast<LJParamGenericData*>(data);
66 >        
67 >        if (ljData != NULL) {
68 >          LJParam ljParam = ljData->getData();
69 >          currShape = new Spheric(atom->getPos(), ljParam.sigma/2.0);
70          } else {
71 +          sprintf( painCave.errMsg,
72 +                   "Can not cast GenericData to LJParam\n");
73 +          painCave.severity = OOPSE_ERROR;
74 +          painCave.isFatal = 1;
75 +          simError();          
76 +        }      
77 +      }
78 +    } else if (atomType->isEAM()) {
79 +      GenericData* data = atomType->getPropertyByName("EAM");
80 +      if (data != NULL) {
81 +        EAMParamGenericData* eamData = dynamic_cast<EAMParamGenericData*>(data);
82 +        
83 +        if (eamData != NULL) {
84 +          EAMParam eamParam = eamData->getData();
85 +          currShape = new Spheric(atom->getPos(), eamParam.rcut);
86 +        } else {
87 +          sprintf( painCave.errMsg,
88 +                   "Can not cast GenericData to EAMParam\n");
89 +          painCave.severity = OOPSE_ERROR;
90 +          painCave.isFatal = 1;
91 +          simError();          
92 +        }      
93 +      }
94 +    }    
95 +    return currShape;
96 +  }
97 +  
98 +  Shape* ShapeBuilder::internalCreateShape(DirectionalAtom* datom) {
99 +    AtomType* atomType = datom->getAtomType();
100 +    Shape* currShape = NULL;
101 +    if (atomType->isGayBerne()) {
102 +      DirectionalAtomType* dAtomType = dynamic_cast<DirectionalAtomType*>(atomType);
103 +      
104 +      GenericData* data = dAtomType->getPropertyByName("GayBerne");
105 +      if (data != NULL) {
106 +        GayBerneParamGenericData* gayBerneData = dynamic_cast<GayBerneParamGenericData*>(data);
107 +        
108 +        if (gayBerneData != NULL) {  
109 +          GayBerneParam gayBerneParam = gayBerneData->getData();
110 +          currShape = new Ellipsoid(datom->getPos(), gayBerneParam.GB_sigma/2.0, gayBerneParam.GB_l2b_ratio*gayBerneParam.GB_sigma/2.0, datom->getA());
111 +        } else {
112 +          sprintf( painCave.errMsg,
113 +                   "Can not cast GenericData to GayBerneParam\n");
114 +          painCave.severity = OOPSE_ERROR;
115 +          painCave.isFatal = 1;
116 +          simError();  
117 +        }
118 +      } else {
119 +        sprintf( painCave.errMsg, "Can not find Parameters for GayBerne\n");
120 +        painCave.severity = OOPSE_ERROR;
121 +        painCave.isFatal = 1;
122 +        simError();    
123 +      }            
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) {
130 +          LJParam ljParam = ljData->getData();
131 +          currShape = new Spheric(datom->getPos(), ljParam.sigma/2.0);
132 +        } else {
133 +          sprintf( painCave.errMsg,
134 +                   "Can not cast GenericData to LJParam\n");
135 +          painCave.severity = OOPSE_ERROR;
136 +          painCave.isFatal = 1;
137 +          simError();          
138 +        }      
139 +      } else if (atomType->isEAM()) {
140 +        GenericData* data = atomType->getPropertyByName("EAM");
141 +        if (data != NULL) {
142 +          EAMParamGenericData* eamData = dynamic_cast<EAMParamGenericData*>(data);          
143 +          if (eamData != NULL) {
144 +            EAMParam eamParam = eamData->getData();
145 +            currShape = new Spheric(datom->getPos(), eamParam.rcut);
146 +          } else {
147              sprintf( painCave.errMsg,
148 <            "Can not cast GenericData to LJParam\n");
148 >                     "Can not cast GenericData to EAMParam\n");
149              painCave.severity = OOPSE_ERROR;
150              painCave.isFatal = 1;
151              simError();          
152 <            }      
152 >          }      
153          }
154 <
154 >      }
155      }
84 –
156      return currShape;
157 < }
157 >  }
158  
159 < Shape* ShapeBuilder::internalCreateShape(DirectionalAtom* datom) {
160 <    AtomType* atomType = datom->getAtomType();
161 <    Shape* currShape = NULL;
162 <    if (atomType->isGayBerne()) {
163 <        DirectionalAtomType* dAtomType = dynamic_cast<DirectionalAtomType*>(atomType);
164 <
165 <        GenericData* data = dAtomType->getPropertyByName("GayBerne");
166 <        if (data != NULL) {
167 <            GayBerneParamGenericData* gayBerneData = dynamic_cast<GayBerneParamGenericData*>(data);
168 <
169 <            if (gayBerneData != NULL) {  
170 <                GayBerneParam gayBerneParam = gayBerneData->getData();
171 <                currShape = new Ellipsoid(datom->getPos(), gayBerneParam.GB_sigma/2.0, gayBerneParam.GB_l2b_ratio*gayBerneParam.GB_sigma/2.0, datom->getA());
172 <            } else {
102 <                sprintf( painCave.errMsg,
103 <                       "Can not cast GenericData to GayBerneParam\n");
104 <                painCave.severity = OOPSE_ERROR;
105 <                painCave.isFatal = 1;
106 <                simError();  
107 <            }
108 <        } else {
109 <          sprintf( painCave.errMsg, "Can not find Parameters for GayBerne\n");
110 <          painCave.severity = OOPSE_ERROR;
111 <          painCave.isFatal = 1;
112 <          simError();    
113 <        }            
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 <    return currShape;
174 >    
175 >    return compositeShape;
176 >  }  
177   }
117 – Shape* ShapeBuilder::internalCreateShape(RigidBody* rb) {
118 –
119 –        std::vector<Atom*>::iterator ai;
120 –        CompositeShape* compositeShape = new CompositeShape;
121 –        Atom* atom;
122 –        for (atom = rb->beginAtom(ai); atom != NULL; atom = rb->nextAtom(ai)) {
123 –            Shape* currShape = NULL;
124 –            if (atom->isDirectionalAtom()){
125 –                currShape = internalCreateShape(static_cast<DirectionalAtom*>(atom));
126 –            }else if (atom->isAtom()){
127 –                currShape =  internalCreateShape(static_cast<Atom*>(atom));
128 –            }
129 –            if (currShape != NULL)
130 –                compositeShape->addShape(currShape);
131 –        }
132 –
133 –        return compositeShape;
134 – }
135 –
136 – }

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