Changeset e1900f for molecuilder/src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp

Timestamp:

Nov 4, 2009, 2:54:31 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

c1b76e

Parents:

4efdad

Message:

Closed ticket #48 (AnalysisCorrelation...() take MoleculeListClass instead of molecule).

• ParseCommandLineOptions() - case C: ActiveFlag ist set for all but the boundary molecule (i.e. the biggest).
• changed parameters of PairCorrelation(), CorrelationToPoint(), CorrelationToSurface()
• adapted unit tests: AnalysisPairCorrelationUnitTest, AnalysisPairCorrelationUnitTest, AnalysisCorrelationToPointUnitTest

• MISSING: AnalysisCorrelationToSurfaceUnitTest yet only deals with a single molecule instead of multiple ones ...

File:

• molecuilder/src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp (modified) (2 diffs)

molecuilder/src/unittests/AnalysisCorrelationToSurfaceUnitTest.hpp

@@ -12 +12 @@
 
 class element;
+class LinkedCell;
 class molecule;
-class LinkedCell;
+class MoleculeListClass;
 class periodentafel;
 class Tesselation;
@@ -40 +41 @@
 private:
 
+      MoleculeListClass *TestList;
       molecule *TestMolecule;
       element *hydrogen;