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Fix automatic identification of CIF files. #1080

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merged 2 commits into from
May 14, 2024
Merged

Fix automatic identification of CIF files. #1080

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905bf34
Fix automatic ID of CIF files
drroe May 14, 2024
cbcd123
Revision bump for CIF id fix
drroe May 14, 2024
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5 changes: 4 additions & 1 deletion src/CIFfile.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -272,14 +272,17 @@ bool CIFfile::ID_CIF(CpptrajFile& fileIn) {
int ndata = 0; // Number of '_XXX' entries seen
bool foundLoop = false;
bool foundEntryID = false;
bool foundDataBlock = false;
for (int i = 0; i < 10; i++) {
std::string lineIn = fileIn.GetLine();
if (lineIn[0] == '_') ndata++;
if (lineIn.compare(0,5,"data_")==0) foundDataBlock = true;
if (lineIn.compare(0,5,"loop_")==0) foundLoop = true;
if (lineIn.compare(0,9,"_entry.id")==0) foundEntryID = true;
}
fileIn.CloseFile();
return ( ndata > 2 && (foundLoop || foundEntryID) );
if (foundDataBlock || foundLoop || foundEntryID) return true;
return ( ndata > 2 && (foundLoop || foundEntryID || foundDataBlock) );
}

// CIFfile::Read()
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2 changes: 1 addition & 1 deletion src/Version.h
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Expand Up @@ -12,7 +12,7 @@
* Whenever a number that precedes <revision> is incremented, all subsequent
* numbers should be reset to 0.
*/
#define CPPTRAJ_INTERNAL_VERSION "V6.25.2"
#define CPPTRAJ_INTERNAL_VERSION "V6.25.3"
/// PYTRAJ relies on this
#define CPPTRAJ_VERSION_STRING CPPTRAJ_INTERNAL_VERSION
#endif
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