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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 909 by tim, Tue Mar 21 00:26:55 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 <
79 <    }
80 <
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) {
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());
101 <            } 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 <            }
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, "Can not find Parameters for GayBerne\n");
113 <          painCave.severity = OOPSE_ERROR;
114 <          painCave.isFatal = 1;
115 <          simError();    
116 <        }            
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);
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      }
156      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()){
167 <                currShape =  internalCreateShape(static_cast<Atom*>(atom));
168 <            }
169 <            if (currShape != NULL)
170 <                compositeShape->addShape(currShape);
171 <        }
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 – }

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