Changes in src/molecule_fragmentation.cpp [e138de:e359a8]

File:

• src/molecule_fragmentation.cpp (modified) (8 diffs)

src/molecule_fragmentation.cpp

@@ -111 +111 @@
         if (!testGraphInsert.second) {
           eLog() << Verbose(0) << "KeySet file must be corrupt as there are two equal key sets therein!" << endl;
+          performCriticalExit();
         }
       }
@@ -211 +212 @@
   } else {
     eLog() << Verbose(0) << "Unable to open " << line << " for writing keysets!" << endl;
+    performCriticalExit();
     status = false;
   }
@@ -368 +370 @@
     } else {
       eLog() << Verbose(0) << "Atom No. " << (*runner).second.first << " was not found in this molecule." << endl;
+      performCriticalExit();
     }
   }
@@ -441 +444 @@
     // transmorph graph keyset list into indexed KeySetList
     if (GlobalKeySetList == NULL) {
-      Log() << Verbose(1) << "ERROR: Given global key set list (graph) is NULL!" << endl;
+      eLog() << Verbose(1) << "Given global key set list (graph) is NULL!" << endl;
       return false;
     }
@@ -449 +452 @@
     map<int, pair<double,int> > *AdaptiveCriteriaList = ScanAdaptiveFileIntoMap(path, *IndexKeySetList); // (Root No., (Value, Order)) !
     if (AdaptiveCriteriaList->empty()) {
-      eLog() << Verbose(0) << "Unable to parse file, incrementing all." << endl;
+      eLog() << Verbose(2) << "Unable to parse file, incrementing all." << endl;
       while (Walker->next != end) {
         Walker = Walker->next;
@@ -638 +641 @@
         MolecularWalker->Leaf->FragmentBOSSANOVA(FragmentList[FragmentCounter], RootStack[FragmentCounter], MinimumRingSize);
       } else {
-        eLog() << Verbose(0) << "Subgraph " << MolecularWalker << " has no atoms!" << endl;
+        eLog() << Verbose(1) << "Subgraph " << MolecularWalker << " has no atoms!" << endl;
       }
       FragmentCounter++;  // next fragment list
@@ -898 +901 @@
       }
     } else {
-      Log() << Verbose(0) << "ERROR: Son " << Runner->Name << " has father " << FatherOfRunner->Name << " but its entry in SonList is " << SonList[FatherOfRunner->nr] << "!" << endl;
+      eLog() << Verbose(1) << "Son " << Runner->Name << " has father " << FatherOfRunner->Name << " but its entry in SonList is " << SonList[FatherOfRunner->nr] << "!" << endl;
     }
     if ((LonelyFlag) && (Leaf->AtomCount > 1)) {
@@ -1133 +1136 @@
         Log() << Verbose(0) << endl;
         //if (!CheckForConnectedSubgraph(FragmentSearch->FragmentSet))
-          //Log() << Verbose(0) << "ERROR: The found fragment is not a connected subgraph!" << endl;
+          //eLog() << Verbose(1) << "The found fragment is not a connected subgraph!" << endl;
         InsertFragmentIntoGraph(FragmentSearch);
       }