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Changed the way data is passed to reference configurations in analysis
The data is now passed via a pdb object. This means we can now use the same infractructure for setting up the ReferenceConfiguration as we use in setting up the ReferenceConfigurations in paths and so on. Projections meanwhile are attached to the ReferenceConfigurations when they are required for printing. So now a reference configuration can be the pair of objects - i.e. the projections and the high dimensional configuration.
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- regtest/dimred/rt-mds/analysis.0.embed.reference 102 additions, 102 deletionsregtest/dimred/rt-mds/analysis.0.embed.reference
- regtest/dimred/rt-mds/analysis.0.list_embed.reference 1 addition, 1 deletionregtest/dimred/rt-mds/analysis.0.list_embed.reference
- regtest/dimred/rt-mds/embed.reference 110 additions, 110 deletionsregtest/dimred/rt-mds/embed.reference
- regtest/dimred/rt-mds/list_embed.reference 2 additions, 2 deletionsregtest/dimred/rt-mds/list_embed.reference
- regtest/dimred/rt-mds/plumed.dat 1 addition, 1 deletionregtest/dimred/rt-mds/plumed.dat
- src/analysis/AnalysisBase.h 3 additions, 3 deletionssrc/analysis/AnalysisBase.h
- src/analysis/AnalysisWithDataCollection.cpp 48 additions, 33 deletionssrc/analysis/AnalysisWithDataCollection.cpp
- src/analysis/AnalysisWithDataCollection.h 5 additions, 3 deletionssrc/analysis/AnalysisWithDataCollection.h
- src/analysis/EuclideanDissimilarityMatrix.cpp 1 addition, 2 deletionssrc/analysis/EuclideanDissimilarityMatrix.cpp
- src/analysis/LandmarkSelectionBase.h 3 additions, 3 deletionssrc/analysis/LandmarkSelectionBase.h
- src/analysis/OutputColvarFile.cpp 13 additions, 9 deletionssrc/analysis/OutputColvarFile.cpp
- src/analysis/OutputPDBFile.cpp 3 additions, 9 deletionssrc/analysis/OutputPDBFile.cpp
- src/analysis/ReadDissimilarityMatrix.cpp 2 additions, 2 deletionssrc/analysis/ReadDissimilarityMatrix.cpp
- src/dimred/DimensionalityReductionBase.cpp 4 additions, 17 deletionssrc/dimred/DimensionalityReductionBase.cpp
- src/dimred/DimensionalityReductionBase.h 1 addition, 5 deletionssrc/dimred/DimensionalityReductionBase.h
- src/dimred/ProjectNonLandmarkPoints.cpp 16 additions, 29 deletionssrc/dimred/ProjectNonLandmarkPoints.cpp
- src/mapping/Mapping.cpp 21 additions, 21 deletionssrc/mapping/Mapping.cpp
- src/mapping/Mapping.h 1 addition, 1 deletionsrc/mapping/Mapping.h
- src/mapping/PCAVars.cpp 0 additions, 2 deletionssrc/mapping/PCAVars.cpp
- src/reference/MultiDomainRMSD.cpp 2 additions, 1 deletionsrc/reference/MultiDomainRMSD.cpp
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