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root/OpenMD/trunk/src/brains/SimCreator.cpp
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Comparing trunk/src/brains/SimCreator.cpp (file contents):
Revision 2047 by gezelter, Thu Dec 11 16:16:43 2014 UTC vs.
Revision 2071 by gezelter, Sat Mar 7 21:41:51 2015 UTC

# Line 253 | Line 253 | namespace OpenMD {
253      std::string mdRawData;
254      int metaDataBlockStart = -1;
255      int metaDataBlockEnd = -1;
256 –    int i, j;
256      streamoff mdOffset;
257 <    int mdFileVersion;
257 >    int mdFileVersion(2);
258  
259      // Create a string for embedding the version information in the MetaData
260      std::string version;
# Line 294 | Line 293 | namespace OpenMD {
293        mdFile_.getline(buffer, bufferSize);
294        ++lineNo;
295        std::string line = trimLeftCopy(buffer);
296 <      i = CaseInsensitiveFind(line, "<OpenMD");
297 <      if (static_cast<size_t>(i) == string::npos) {
296 >      std::size_t i = CaseInsensitiveFind(line, "<OpenMD");
297 >      if (i == string::npos) {
298          // try the older file strings to see if that works:
299          i = CaseInsensitiveFind(line, "<OOPSE");
300        }
301        
302 <      if (static_cast<size_t>(i) == string::npos) {
302 >      if (i == string::npos) {
303          // still no luck!
304          sprintf(painCave.errMsg,
305                  "SimCreator: File: %s is not a valid OpenMD file!\n",
# Line 335 | Line 334 | namespace OpenMD {
334          
335          std::string line = trimLeftCopy(buffer);
336          if (metaDataBlockStart == -1) {
337 <          i = CaseInsensitiveFind(line, "<MetaData>");
337 >          std::size_t i = CaseInsensitiveFind(line, "<MetaData>");
338            if (i != string::npos) {
339              metaDataBlockStart = lineNo;
340              mdOffset = mdFile_.tellg();
341            }
342          } else {
343 <          i = CaseInsensitiveFind(line, "</MetaData>");
343 >          std::size_t i = CaseInsensitiveFind(line, "</MetaData>");
344            if (i != string::npos) {
345              metaDataBlockEnd = lineNo;
346            }
# Line 374 | Line 373 | namespace OpenMD {
373        for (int i = 0; i < metaDataBlockEnd - metaDataBlockStart - 1; ++i) {
374          mdFile_.getline(buffer, bufferSize);
375          std::string line = trimLeftCopy(buffer);
376 <        j = CaseInsensitiveFind(line, "## Last run using OpenMD Version");
377 <        if (static_cast<size_t>(j) != string::npos) {
376 >        std::size_t j = CaseInsensitiveFind(line,
377 >                                            "## Last run using OpenMD Version");
378 >        if (j != string::npos) {
379            foundVersion = true;
380            mdRawData += version;
381          } else {
# Line 833 | Line 833 | namespace OpenMD {
833      int beginBendIndex;
834      int beginTorsionIndex;
835      int beginInversionIndex;
836 + #ifdef IS_MPI
837      int nGlobalAtoms = info->getNGlobalAtoms();
838      int nGlobalRigidBodies = info->getNGlobalRigidBodies();
839 + #endif
840      
841      beginAtomIndex = 0;
842      // The rigid body indices begin immediately after the atom indices:

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