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root/group/trunk/OOPSE-3.0/src/applications/dump2Xyz/Dump2XYZ.cpp
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Comparing trunk/OOPSE-3.0/src/applications/dump2Xyz/Dump2XYZ.cpp (file contents):
Revision 2065 by tim, Tue Mar 1 14:45:45 2005 UTC vs.
Revision 2097 by tim, Wed Mar 9 17:30:29 2005 UTC

# Line 101 | Line 101 | int main(int argc, char* argv[]){
101    
102    //creat visitor list
103    CompositeVisitor* compositeVisitor = new CompositeVisitor();
104 –  
105 –  //creat ignore visitor
106 –  if(args_info.ignore_given ||args_info.water_flag){
104      
108 –    IgnoreVisitor* ignoreVisitor = new IgnoreVisitor(info);
109 –    
110 –    for(int i = 0; i < args_info.ignore_given; i++)
111 –      ignoreVisitor->addIgnoreType(args_info.ignore_arg[i]);
112 –    
113 –    //ignore water
114 –    if(args_info.water_flag){
115 –      ignoreVisitor->addIgnoreType("SSD");
116 –      ignoreVisitor->addIgnoreType("SSD1");
117 –      ignoreVisitor->addIgnoreType("SSD_E");
118 –      ignoreVisitor->addIgnoreType("SSD_RF");
119 –      ignoreVisitor->addIgnoreType("TIP3P_RB_0");
120 –      ignoreVisitor->addIgnoreType("TIP4P_RB_0");
121 –      ignoreVisitor->addIgnoreType("TIP5P_RB_0");
122 –      ignoreVisitor->addIgnoreType("SPCE_RB_0");      
123 –      ignoreVisitor->addIgnoreType("DPD_RB_0");
124 –    }
125 –    
126 –    compositeVisitor->addVisitor(ignoreVisitor, 1000);
127 –  }
128 –  
105    //creat RigidBody Visitor
106    if(args_info.rigidbody_flag){
107      RBCOMVisitor* rbCOMVisitor = new RBCOMVisitor(info);
108      compositeVisitor->addVisitor(rbCOMVisitor, 900);
109    }
110    
135 –  //create selection visitor
136 –  //if (args_info.selection_given){
137 –  //  SelectionVisitor* selectionVisitor = new SelectionVisitor(info, args_info.selection_arg);
138 –  //  compositeVisitor->addVisitor(selectionVisitor, 850);
139 –  //}
140 –
141 –  SelectionEvaluator* evaluator = NULL;
142 –  if (args_info.selection_given) {
143 –    evaluator = new SelectionEvaluator(info);
144 –    assert(evaluator);
145 –    evaluator->loadScriptString( args_info.selection_arg);
146 –          
147 –  }
148 –  
111    //creat SSD atom visitor
112    SSDAtomVisitor* ssdVisitor = new SSDAtomVisitor(info);
113    compositeVisitor->addVisitor(ssdVisitor, 800);
# Line 199 | Line 161 | int main(int argc, char* argv[]){
161    }
162      
163    //creat xyzVisitor
164 <  XYZVisitor* xyzVisitor = new XYZVisitor(info);
164 >  XYZVisitor* xyzVisitor;
165 >  if (args_info.selection_given) {
166 >    xyzVisitor = new XYZVisitor(info, args_info.selection_arg);
167 >  } else {
168 >    xyzVisitor = new XYZVisitor(info);
169 >  }
170    compositeVisitor->addVisitor(xyzVisitor, 200);
171    
172    std::cout << compositeVisitor->toString();
# Line 222 | Line 189 | int main(int argc, char* argv[]){
189    Molecule* mol;
190    StuntDouble* integrableObject;
191    RigidBody* rb;
192 <
226 <  if (evaluator && !evaluator->isDynamic()) {
227 <    info->getSelectionManager()->setSelectionSet(evaluator->evaluate());
228 <  }
229 <  
192 >      
193    for (int i = 0; i < nframes; i += args_info.frame_arg){
194      dumpReader->readFrame(i);
195      
# Line 250 | Line 213 | int main(int argc, char* argv[]){
213      //update visitor
214      compositeVisitor->update();
215  
216 <    //if dynamic, we need to re-evaluate the selection
254 <    if (evaluator && evaluator->isDynamic()) {
255 <      info->getSelectionManager()->setSelectionSet(evaluator->evaluate());
256 <    }
257 <    
216 >
217      //visit stuntdouble
218      for (mol = info->beginMolecule(miter); mol != NULL; mol = info->nextMolecule(miter)) {
219        for (integrableObject = mol->beginIntegrableObject(iiter); integrableObject != NULL;

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