Changeset 075729 for molecuilder/src/periodentafel.cpp

Timestamp:

Apr 27, 2010, 2:25:42 PM (15 years ago)

Author:

Frederik Heber <heber@…>

Children:

90c4460

Parents:

1561e2 (diff), 2bc713 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'Analysis_PairCorrelation' into StructureRefactoring

Conflicts:

molecuilder/src/Makefile.am
molecuilder/src/World.cpp
molecuilder/src/World.hpp
molecuilder/src/boundary.cpp
molecuilder/src/builder.cpp
molecuilder/src/log.cpp
molecuilder/src/moleculelist.cpp
molecuilder/src/periodentafel.cpp
molecuilder/src/tesselation.cpp
molecuilder/src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp
molecuilder/src/unittests/Makefile.am
molecuilder/src/unittests/bondgraphunittest.cpp
molecuilder/src/unittests/gslvectorunittest.cpp
molecuilder/src/unittests/logunittest.cpp
molecuilder/src/unittests/tesselation_boundarytriangleunittest.hpp
molecuilder/src/vector.cpp
molecuilder/tests/Tesselations/defs.in

Conflicts have been many and too numerous to listen here, just the few general cases

• new molecule() replaced by World::getInstance().createMolecule()
• new atom() replaced by World::getInstance().createAtom() where appropriate.
• Some DoLog()s added interfered with changes to the message produced by Log() << Verbose(.) << ...
• DoLog() has been erroneously added to TestRunner.cpp as well, there cout is appropriate
• ...

Additionally, there was a bug in atom::clone(), sort was set to atom::nr of the atom to clone not of the clone itself. This caused a failure of the fragmentation.

This merge has been fully checked from a clean build directory with subsequent configure,make all install and make check.
It configures, compiles and runs all test cases and the test suite without errors.

Signed-off-by: Frederik Heber <heber@…>

File:

• molecuilder/src/periodentafel.cpp (modified) (7 diffs)

molecuilder/src/periodentafel.cpp

@@ -47 +47 @@
   pointer->sort = &pointer->Z;
   if (pointer->getNumber() < 1 && pointer->getNumber() >= MAX_ELEMENTS)
-    Log() << Verbose(0) << "Invalid Z number!\n";
+    DoeLog(0) && (eLog() << Verbose(0) << "Invalid Z number!\n");
   pair<iterator,bool> res = elements.insert(pair<atomicNumber_t,element*>(Z,pointer));
   return res.first;
@@ -108 +108 @@
   int Z;
   do {
-    Log() << Verbose(0) << "Atomic number Z: ";
+    DoLog(0) && (Log() << Verbose(0) << "Atomic number Z: ");
     cin >> Z;
     walker = this->FindElement(Z);  // give type
@@ -122 +122 @@
   const element *res = NULL;
   atomicNumber_t Z = 0;
-  Log() << Verbose(0) << "Atomic number: " << Z << endl;
+  DoLog(0) && (Log() << Verbose(0) << "Atomic number: " << Z << endl);
   cin >> Z;
   res = FindElement(Z);
@@ -128 +128 @@
     // TODO: make this using the constructor
     element *tmp;
-    Log() << Verbose(0) << "Element not found in database, please enter." << endl;
+    DoLog(0) && (Log() << Verbose(0) << "Element not found in database, please enter." << endl);
     tmp = new element;
     tmp->Z = Z;
-    Log() << Verbose(0) << "Mass: " << endl;
+    DoLog(0) && (Log() << Verbose(0) << "Mass: " << endl);
     cin >> tmp->mass;
-    Log() << Verbose(0) << "Name [max 64 chars]: " << endl;
+    DoLog(0) && (Log() << Verbose(0) << "Name [max 64 chars]: " << endl);
     cin >> tmp->name;
-    Log() << Verbose(0) << "Short form [max 3 chars]: " << endl;
+    DoLog(0) && (Log() << Verbose(0) << "Short form [max 3 chars]: " << endl);
     cin >> tmp->symbol;
     AddElement(tmp);
@@ -219 +219 @@
     infile.getline(header1, MAXSTRINGSIZE);
     infile.getline(header2, MAXSTRINGSIZE); // skip first two header lines
-    Log() << Verbose(0) <<  "Parsed elements:";
+    DoLog(0) && (Log() << Verbose(0) <<  "Parsed elements:");
     while (!infile.eof()) {
       element *neues = new element;
@@ -241 +241 @@
       //infile >> ws;
       infile >> ws;
-      Log() << Verbose(0) << " " << neues->symbol;
+      DoLog(0) && (Log() << Verbose(0) << " " << neues->symbol);
       //neues->Output((ofstream *)&cout);
       if ((neues->Z > 0) && (neues->Z < MAX_ELEMENTS))
         parsedElems[neues->getNumber()] = neues;
       else {
-        Log() << Verbose(0) << "Could not parse element: ";
+        DoLog(0) && (Log() << Verbose(0) << "Could not parse element: ");
         neues->Output((ofstream *)&cout);
         delete(neues);
       }
     }
-    Log() << Verbose(0) << endl;
+    DoLog(0) && (Log() << Verbose(0) << endl);
     infile.close();
     infile.clear();
@@ -345 +345 @@
   }
   else{
-    eLog() << Verbose(2) << "Something went wrong while parsing the other databases!" << endl;
+    DoeLog(2) && (eLog()<< Verbose(2) << "Something went wrong while parsing the other databases!" << endl);
     map<atomicNumber_t,element*>::iterator iter;
     for(iter=parsedElems.begin();iter!=parsedElems.end();++iter){