Changeset 075729 for molecuilder/src/unittests/AnalysisCorrelationToPointUnitTest.cpp

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/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) (3 diffs)

molecuilder/src/unittests/AnalysisCorrelationToPointUnitTest.cpp

@@ -83 +83 @@
 
   TestList = World::getInstance().getMolecules();
+  TestList->insert(TestMolecule);
   TestMolecule->ActiveFlag = true;
-  TestList->insert(TestMolecule);
 
   // init point
@@ -122 +122 @@
   // put pair correlation into bins and check with no range
   binmap = BinData( pointmap, 0.5, 0., 0. );
-  CPPUNIT_ASSERT_EQUAL( (size_t)2, binmap->size() );
-  //OutputCorrelation ( binmap );
+  OutputCorrelation ( (ofstream *)&cout, binmap );
+  CPPUNIT_ASSERT_EQUAL( (size_t)3, binmap->size() );
   tester = binmap->begin();
   CPPUNIT_ASSERT_EQUAL( 1., tester->first );
@@ -135 +135 @@
   // ... and check with [0., 2.] range
   binmap = BinData( pointmap, 0.5, 0., 2. );
+  OutputCorrelation ( (ofstream *)&cout, binmap );
   CPPUNIT_ASSERT_EQUAL( (size_t)5, binmap->size() );
-  //OutputCorrelation ( binmap );
   tester = binmap->begin();
   CPPUNIT_ASSERT_EQUAL( 0., tester->first );