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root/OpenMD/branches/development/src/brains/SimCreator.cpp
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Comparing branches/development/src/brains/SimCreator.cpp (file contents):
Revision 1601 by gezelter, Thu Aug 4 20:04:35 2011 UTC vs.
Revision 1613 by gezelter, Thu Aug 18 20:18:19 2011 UTC

# Line 81 | Line 81 | namespace OpenMD {
81  
82   namespace OpenMD {
83    
84 <  Globals* SimCreator::parseFile(std::istream& rawMetaDataStream, const std::string& filename, int startOfMetaDataBlock ){
84 >  Globals* SimCreator::parseFile(std::istream& rawMetaDataStream, const std::string& filename, int mdFileVersion, int startOfMetaDataBlock ){
85      Globals* simParams = NULL;
86      try {
87  
# Line 92 | Line 92 | namespace OpenMD {
92        const int masterNode = 0;
93        int commStatus;
94        if (worldRank == masterNode) {
95 < #endif
96 <                
95 >        commStatus = MPI_Bcast(&mdFileVersion, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
96 > #endif                
97          SimplePreprocessor preprocessor;
98          preprocessor.preprocess(rawMetaDataStream, filename, startOfMetaDataBlock, ppStream);
99                  
# Line 106 | Line 106 | namespace OpenMD {
106              
107                  
108        } else {
109 +
110 +        commStatus = MPI_Bcast(&mdFileVersion, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
111 +
112          //get stream size
113          commStatus = MPI_Bcast(&streamSize, 1, MPI_LONG, masterNode, MPI_COMM_WORLD);  
114  
# Line 229 | Line 232 | namespace OpenMD {
232        simError();
233      }
234  
235 +    simParams->setMDfileVersion(mdFileVersion);
236      return simParams;
237    }
238    
# Line 243 | Line 247 | namespace OpenMD {
247      int metaDataBlockEnd = -1;
248      int i;
249      int mdOffset;
250 +    int mdFileVersion;
251  
252   #ifdef IS_MPI            
253      const int masterNode = 0;
# Line 276 | Line 281 | namespace OpenMD {
281          painCave.isFatal = 1;
282          simError();
283        }
284 +      
285 +      // found the correct opening string, now try to get the file
286 +      // format version number.
287 +
288 +      StringTokenizer tokenizer(line, "=<> \t\n\r");
289 +      std::string fileType = tokenizer.nextToken();
290 +      toUpper(fileType);
291  
292 +      mdFileVersion = 0;
293 +
294 +      if (fileType == "OPENMD") {
295 +        while (tokenizer.hasMoreTokens()) {
296 +          std::string token(tokenizer.nextToken());
297 +          toUpper(token);
298 +          if (token == "VERSION") {
299 +            mdFileVersion = tokenizer.nextTokenAsInt();
300 +            break;
301 +          }
302 +        }
303 +      }
304 +            
305        //scan through the input stream and find MetaData tag        
306        while(mdFile_.getline(buffer, bufferSize)) {
307          ++lineNo;
# Line 332 | Line 357 | namespace OpenMD {
357      std::stringstream rawMetaDataStream(mdRawData);
358  
359      //parse meta-data file
360 <    Globals* simParams = parseFile(rawMetaDataStream, mdFileName, metaDataBlockStart+1);
360 >    Globals* simParams = parseFile(rawMetaDataStream, mdFileName, mdFileVersion,
361 >                                   metaDataBlockStart + 1);
362      
363      //create the force field
364      ForceField * ff = ForceFieldFactory::getInstance()->createForceField(simParams->getForceField());

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