Changes in src/World.cpp [6d574a:35b698]

File:

• src/World.cpp (modified) (9 diffs)

src/World.cpp

@@ -14 +14 @@
 #include "molecule.hpp"
 #include "periodentafel.hpp"
+#include "ThermoStatContainer.hpp"
 #include "Descriptors/AtomDescriptor.hpp"
 #include "Descriptors/AtomDescriptor_impl.hpp"
@@ -20 +21 @@
 #include "Descriptors/SelectiveIterator_impl.hpp"
 #include "Actions/ManipulateAtomsProcess.hpp"
-#include "Helpers/Assert.hpp"
 
 #include "Patterns/Singleton_impl.hpp"
@@ -91 +91 @@
 };
 
+class ThermoStatContainer * World::getThermostats()
+{
+  return Thermostats;
+}
+
+
 int World::getExitFlag() {
   return ExitFlag;
@@ -106 +112 @@
   molecule *mol = NULL;
   mol = NewMolecule();
-  ASSERT(!molecules.count(currMoleculeId),"currMoleculeId did not specify an unused ID");
+  cout << "Creating molecule with id " << currMoleculeId << "." << endl;
+  assert(!molecules.count(currMoleculeId));
   mol->setId(currMoleculeId++);
   // store the molecule by ID
@@ -122 +129 @@
   OBSERVE;
   molecule *mol = molecules[id];
-  ASSERT(mol,"Molecule id that was meant to be destroyed did not exist");
+  assert(mol);
   DeleteMolecule(mol);
   molecules.erase(id);
@@ -158 +165 @@
   OBSERVE;
   atom *atom = atoms[id];
-  ASSERT(atom,"Atom ID that was meant to be destroyed did not exist");
+  assert(atom);
   DeleteAtom(atom);
   atoms.erase(id);
@@ -170 +177 @@
   if(!target){
     target = atoms[oldId];
-    ASSERT(target,"Atom with that ID not found");
+    assert(target && "Atom with that ID not found");
     return target->changeId(newId);
   }
@@ -282 +289 @@
     periode(new periodentafel),
     configuration(new config),
+    Thermostats(new ThermoStatContainer),
     ExitFlag(0),
     atoms(),
@@ -307 +315 @@
   delete periode;
   delete configuration;
+  delete Thermostats;
   MoleculeSet::iterator molIter;
   for(molIter=molecules.begin();molIter!=molecules.end();++molIter){