Changeset 3d4969 for molecuilder/src/molecule_fragmentation.cpp
- Timestamp:
- Nov 23, 2009, 6:51:50 PM (16 years ago)
- Children:
- 16f34d, 7d1ad9
- Parents:
- 418117a
- File:
-
- 1 edited
-
molecuilder/src/molecule_fragmentation.cpp (modified) (5 diffs)
Legend:
- Unmodified
- Added
- Removed
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molecuilder/src/molecule_fragmentation.cpp
r418117a r3d4969 111 111 if (!testGraphInsert.second) { 112 112 eLog() << Verbose(0) << "KeySet file must be corrupt as there are two equal key sets therein!" << endl; 113 performCriticalExit(); 113 114 } 114 115 } … … 211 212 } else { 212 213 eLog() << Verbose(0) << "Unable to open " << line << " for writing keysets!" << endl; 214 performCriticalExit(); 213 215 status = false; 214 216 } … … 368 370 } else { 369 371 eLog() << Verbose(0) << "Atom No. " << (*runner).second.first << " was not found in this molecule." << endl; 372 performCriticalExit(); 370 373 } 371 374 } … … 449 452 map<int, pair<double,int> > *AdaptiveCriteriaList = ScanAdaptiveFileIntoMap(path, *IndexKeySetList); // (Root No., (Value, Order)) ! 450 453 if (AdaptiveCriteriaList->empty()) { 451 eLog() << Verbose( 0) << "Unable to parse file, incrementing all." << endl;454 eLog() << Verbose(2) << "Unable to parse file, incrementing all." << endl; 452 455 while (Walker->next != end) { 453 456 Walker = Walker->next; … … 638 641 MolecularWalker->Leaf->FragmentBOSSANOVA(FragmentList[FragmentCounter], RootStack[FragmentCounter], MinimumRingSize); 639 642 } else { 640 eLog() << Verbose( 0) << "Subgraph " << MolecularWalker << " has no atoms!" << endl;643 eLog() << Verbose(1) << "Subgraph " << MolecularWalker << " has no atoms!" << endl; 641 644 } 642 645 FragmentCounter++; // next fragment list
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