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root/OpenMD/trunk/src/applications/dump2Xyz/Dump2XYZ.cpp
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Comparing trunk/src/applications/dump2Xyz/Dump2XYZ.cpp (file contents):
Revision 1026 by gezelter, Wed Aug 30 21:04:04 2006 UTC vs.
Revision 1283 by gezelter, Wed Jul 30 18:48:01 2008 UTC

# Line 117 | Line 117 | int main(int argc, char* argv[]){
117    GBLipidAtomVisitor* gbLipidVisitor = new GBLipidAtomVisitor(info);
118    compositeVisitor->addVisitor(gbLipidVisitor, 740);
119  
120 +  Ring5gbAtomVisitor* ring5Visitor = new Ring5gbAtomVisitor(info);
121 +  compositeVisitor->addVisitor(ring5Visitor, 730);
122 +
123 +  HeadAtomVisitor* headVisitor = new HeadAtomVisitor(info);
124 +  compositeVisitor->addVisitor(headVisitor, 720);
125 +
126    //create default atom visitor
127    DefaultAtomVisitor* defaultAtomVisitor = new DefaultAtomVisitor(info);
128    compositeVisitor->addVisitor(defaultAtomVisitor, 700);
# Line 170 | Line 176 | int main(int argc, char* argv[]){
176      
177    //create xyzVisitor
178    XYZVisitor* xyzVisitor;
179 +
180    if (args_info.selection_given) {
181      xyzVisitor = new XYZVisitor(info, args_info.selection_arg);
182    } else {
183      xyzVisitor = new XYZVisitor(info);
184    }
185 +
186 +  if(args_info.printPosOnly_flag){
187 +    bool posOnly = true;
188 +    xyzVisitor->setPosOnly(posOnly);
189 +  }
190 +
191    compositeVisitor->addVisitor(xyzVisitor, 200);
192    
193    std::cout << compositeVisitor->toString();
# Line 187 | Line 200 | int main(int argc, char* argv[]){
200    int nframes = dumpReader->getNFrames();
201    
202    
203 <  std::ofstream xyzStream;    
191 <  xyzStream .open(xyzFileName.c_str());
203 >  std::ofstream xyzStream(xyzFileName.c_str());
204    
193 –  
205    SimInfo::MoleculeIterator miter;
206    Molecule::IntegrableObjectIterator  iiter;
207    Molecule::RigidBodyIterator rbIter;
# Line 253 | Line 264 | int main(int argc, char* argv[]){
264      xyzVisitor->clear();
265      
266    }//end for (int i = 0; i < nframes; i += args_info.frame_arg)
267 <  
267 >
268    xyzStream.close();
258 –  
269    delete prepareVisitor;
270    delete compositeVisitor;
271    delete info;
262 –  
272   }

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