Changeset 12f57b for molecuilder/src/moleculelist.cpp
- Timestamp:
- Mar 18, 2010, 11:33:54 AM (16 years ago)
- Children:
- 6acc8e4
- Parents:
- f87c2a
- git-author:
- Frederik Heber <heber@…> (03/18/10 10:26:55)
- git-committer:
- Frederik Heber <heber@…> (03/18/10 11:33:54)
- File:
-
- 1 edited
-
molecuilder/src/moleculelist.cpp (modified) (8 diffs)
Legend:
- Unmodified
- Added
- Removed
-
molecuilder/src/moleculelist.cpp
rf87c2a r12f57b 314 314 Tesselation *TesselStruct = NULL; 315 315 if ((srcmol == NULL) || (mol == NULL)) { 316 eLog() << Verbose(1) << "Either fixed or variable molecule is given as NULL." << endl;316 DoeLog(1) && (eLog()<< Verbose(1) << "Either fixed or variable molecule is given as NULL." << endl); 317 317 return false; 318 318 } … … 322 322 FindNonConvexBorder(mol, TesselStruct, (const LinkedCell *&)LCList, 4., NULL); 323 323 if (TesselStruct == NULL) { 324 eLog() << Verbose(1) << "Could not tesselate the fixed molecule." << endl;324 DoeLog(1) && (eLog()<< Verbose(1) << "Could not tesselate the fixed molecule." << endl); 325 325 return false; 326 326 } … … 443 443 input.open(line.c_str()); 444 444 if (input == NULL) { 445 eLog() << Verbose(0) << endl << "Unable to open " << line << ", is the directory correct?" << endl;445 DoeLog(0) && (eLog()<< Verbose(0) << endl << "Unable to open " << line << ", is the directory correct?" << endl); 446 446 performCriticalExit(); 447 447 return false; … … 652 652 strcpy(PathBackup, path); 653 653 else { 654 eLog() << Verbose(0) << "OutputConfigForListOfFragments: NULL default path obtained from config!" << endl;654 DoeLog(0) && (eLog()<< Verbose(0) << "OutputConfigForListOfFragments: NULL default path obtained from config!" << endl); 655 655 performCriticalExit(); 656 656 } … … 788 788 if (!configuration->BG->ConstructBondGraph(mol)) { 789 789 delete (mol); 790 eLog() << Verbose(1) << "There are no bonds." << endl;790 DoeLog(1) && (eLog()<< Verbose(1) << "There are no bonds." << endl); 791 791 return; 792 792 } … … 799 799 if ((Subgraphs == NULL) || (Subgraphs->next == NULL)) { 800 800 delete (mol); 801 eLog() << Verbose(1) << "There are no atoms." << endl;801 DoeLog(1) && (eLog()<< Verbose(1) << "There are no atoms." << endl); 802 802 return; 803 803 } … … 843 843 Walker = mol->start->next; 844 844 if ((Walker->nr <0) || (Walker->nr >= mol->AtomCount)) { 845 eLog() << Verbose(0) << "Index of atom " << *Walker << " is invalid!" << endl;845 DoeLog(0) && (eLog()<< Verbose(0) << "Index of atom " << *Walker << " is invalid!" << endl); 846 846 performCriticalExit(); 847 847 } … … 852 852 molecules[FragmentCounter-1]->AddAtom(Walker); // counting starts at 1 853 853 } else { 854 eLog() << Verbose(0) << "Atom " << *Walker << " not associated to molecule!" << endl;854 DoeLog(0) && (eLog()<< Verbose(0) << "Atom " << *Walker << " not associated to molecule!" << endl); 855 855 performCriticalExit(); 856 856 }
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