Changes in src/Parser/TremoloParser.cpp [f9b967:d103d3]

File:

• src/Parser/TremoloParser.cpp (modified) (11 diffs)

src/Parser/TremoloParser.cpp

@@ -100 +100 @@
 FormatParser< tremolo >::~FormatParser() 
 {
-  LOG(1, "INFO: Clearing usedFields.");
+  std::cerr << "Clearing usedFields." << std::endl;
   usedFields.clear();
   additionalAtomData.clear();
@@ -118 +118 @@
   // reset atomIdMap, for we now get new serials
   atomIdMap.clear();
-  LOG(1, "INFO: Clearing usedFields.");
+        std::cerr << "Clearing usedFields." << std::endl;
   usedFields.clear();
 
@@ -225 +225 @@
  */
 void FormatParser< tremolo >::saveLine(ostream* file, atom* currentAtom) {
-  vector<string>::iterator it;
+  //vector<string>::iterator it;
+  // TODO: Is unique for FormatParser< tremolo >::usedFields still required?
+  vector<string>::iterator it = unique(usedFields.begin(), usedFields.end()); // skips all duplicates in the vector
 
   TremoloKey::atomDataKey currentField;
@@ -347 +349 @@
 
   lineStream << line.substr(offset);
-  LOG(1, "INFO: Clearing usedFields in parseAtomDataKeysLine.");
+        std::cerr << "Clearing usedFields in parseAtomDataKeysLine." << std::endl;
   usedFields.clear();
   while (lineStream.good()) {
@@ -386 +388 @@
   stringstream lineStream;
   atom* newAtom = World::getInstance().createAtom();
-  const atomId_t atomid = newAtom->getId();
-  additionalAtomData[atomid] = TremoloAtomInfoContainer(); // fill with default values
-  TremoloAtomInfoContainer *atomInfo = &additionalAtomData[atomid];
+  TremoloAtomInfoContainer *atomInfo = NULL;
+  additionalAtomData[newAtom->getId()] = TremoloAtomInfoContainer(); // fill with default values
+  atomInfo = &additionalAtomData[newAtom->getId()];
   TremoloKey::atomDataKey currentField;
   ConvertTo<double> toDouble;
@@ -444 +446 @@
         ASSERT(tok_iter != tokens.end(), "FormatParser< tremolo >::readAtomDataLine() - no value for "+keyName+"!");
         LOG(4, "INFO: Parsing key " << keyName << " with next token " << *tok_iter);
-        atomIdMap[toInt(*tok_iter)] = atomid;
+        atomIdMap[toInt(*tok_iter)] = newAtom->getId();
         tok_iter++;
         break;
@@ -455 +457 @@
         }
         readNeighbors(&lineStream,
-            atoi(it->substr(it->find("=") + 1, 1).c_str()), atomid);
+            atoi(it->substr(it->find("=") + 1, 1).c_str()), newAtom->getId());
         break;
       default :
@@ -465 +467 @@
     }
   }
-  LOG(3, "INFO: Parsed atom " << atomid << ".");
-  if (newmol != NULL)
+  if (newmol != NULL) {
+    //LOG(0, "New Atom: " << *newAtom << " with type " << newAtom->getType()->getName());
     newmol->AddAtom(newAtom);
+  }
 }
 
@@ -648 +651 @@
           ++tok_iter) {
         if ((*tok_iter).find("particle_type") != string::npos) {
-          LOG(3, "INFO: found token '" << *tok_iter << "' containing keyword 'particle_type'.");
+          LOG(3, "INFO: found line '" << line << "' containing keyword 'particle_type'.");
           tokenizer token((*tok_iter), equalitysep);
           ASSERT(token.begin() != token.end(),
@@ -657 +660 @@
         }
         if ((*tok_iter).find("element_name") != string::npos) {
-          LOG(3, "INFO: found token '" << *tok_iter << "' containing keyword 'element_name'.");
+          LOG(3, "INFO: found line '" << line << "' containing keyword 'element_name'.");
           tokenizer token((*tok_iter), equalitysep);
           ASSERT(token.begin() != token.end(),
@@ -674 +677 @@
         }
       } else {
-        ELOG(3, "Line does not contain both 'particle_type' and 'element_name' as keys." );
+        ELOG(1, "INFO: Desired element " << element_type << " is not known." );
       }
     }