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* @file SimCreator.cpp |
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* @author tlin |
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* @date 11/03/2004 |
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* @time 13:51am |
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* @version 1.0 |
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*/ |
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#include <exception> |
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std::string mdRawData; |
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int metaDataBlockStart = -1; |
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int metaDataBlockEnd = -1; |
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< |
int i; |
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> |
int i, j; |
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streamoff mdOffset; |
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int mdFileVersion; |
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|
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+ |
// Create a string for embedding the version information in the MetaData |
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std::string version; |
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version.assign("## Last run using OpenMD Version: "); |
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version.append(OPENMD_VERSION_MAJOR); |
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version.append("."); |
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version.append(OPENMD_VERSION_MINOR); |
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|
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std::string svnrev; |
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//convert a macro from compiler to a string in c++ |
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STR_DEFINE(svnrev, SVN_REV ); |
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version.append(" Revision: "); |
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// If there's no SVN revision, just call this the RELEASE revision. |
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if (!svnrev.empty()) { |
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version.append(svnrev); |
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} else { |
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version.append("RELEASE"); |
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} |
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+ |
|
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#ifdef IS_MPI |
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const int masterNode = 0; |
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if (worldRank == masterNode) { |
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mdRawData.clear(); |
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|
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+ |
bool foundVersion = false; |
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|
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for (int i = 0; i < metaDataBlockEnd - metaDataBlockStart - 1; ++i) { |
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mdFile_.getline(buffer, bufferSize); |
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< |
mdRawData += buffer; |
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> |
std::string line = trimLeftCopy(buffer); |
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> |
j = CaseInsensitiveFind(line, "## Last run using OpenMD Version"); |
| 379 |
> |
if (static_cast<size_t>(j) != string::npos) { |
| 380 |
> |
foundVersion = true; |
| 381 |
> |
mdRawData += version; |
| 382 |
> |
} else { |
| 383 |
> |
mdRawData += buffer; |
| 384 |
> |
} |
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mdRawData += "\n"; |
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} |
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< |
|
| 387 |
> |
|
| 388 |
> |
if (!foundVersion) mdRawData += version + "\n"; |
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> |
|
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mdFile_.close(); |
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#ifdef IS_MPI |
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} |
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|
| 970 |
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void SimCreator::loadCoordinates(SimInfo* info, const std::string& mdFileName) { |
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– |
Globals* simParams; |
| 945 |
– |
|
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simParams = info->getSimParams(); |
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|
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DumpReader reader(info, mdFileName); |
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int nframes = reader.getNFrames(); |
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< |
|
| 974 |
> |
|
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if (nframes > 0) { |
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reader.readFrame(nframes - 1); |
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} else { |
