Changeset e1900f for molecuilder/src/bondgraph.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 ...

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