Changeset 075729 for molecuilder/src/World.hpp

Timestamp:

Apr 27, 2010, 2:25:42 PM (16 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/World.hpp (modified) (5 diffs)

molecuilder/src/World.hpp

@@ -9 +9 @@
 #define WORLD_HPP_
 
+/*********************************************** includes ***********************************/
+
 #include <string>
 #include <map>
@@ -22 +24 @@
 #include "Patterns/Singleton.hpp"
 
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
 
 // forward declarations
@@ -36 +42 @@
 class AtomsCalculation;
 
-
+/****************************************** forward declarations *****************************/
+
+/********************************************** Class World *******************************/
 
 class World : public Singleton<World>, public Observable
@@ -107 +115 @@
   int numMolecules();
 
+  /**
+   * get the domain size as a symmetric matrix (6 components)
+   */
+  double * getDomain();
+
+  /**
+   * set the domain size as a symmetric matrix (6 components)
+   */
+  void setDomain(double * matrix);
+
+  /**
+   * get the default name
+   */
+  char * getDefaultName();
+
+  /**
+   * set the default name
+   */
+  void setDefaultName(char * name);
+
   /***** Methods to work with the World *****/
 
@@ -206 +234 @@
 
   periodentafel *periode;
+  static double *cell_size;
+  static char *defaultName;
 public:
   AtomSet atoms;