Fixed small bug in reading of dissimilarity matrices

src/analysis/ReadDissimilarityMatrix.cpp

@@ -53,6 +53,8 @@ public:
   static void registerKeywords( Keywords& keys );
   ReadDissimilarityMatrix( const ActionOptions& ao );
   unsigned getNumberOfDataPoints() const ;
+// Return the index of the data point in the base class
+  unsigned getDataPointIndexInBase( const unsigned& idata ) const ;
 /// This gives an error as if we read in the matrix we dont have the coordinates
   DataCollectionObject& getStoredData( const unsigned& idata, const bool& calcdist );
 /// Tell everyone we have dissimilarities
@@ -141,6 +143,10 @@ unsigned ReadDissimilarityMatrix::getNumberOfDataPoints() const {
   return dissimilarities.size();
 }
 
+unsigned ReadDissimilarityMatrix::getDataPointIndexInBase( const unsigned& idata ) const {
+  return idata;
+}
+
 double ReadDissimilarityMatrix::getDissimilarity( const unsigned& iframe, const unsigned& jframe ) {
   return dissimilarities[iframe][jframe]*dissimilarities[iframe][jframe];
 }

src/dimred/SketchMap.cpp

@@ -82,7 +82,7 @@ ActionShortcut(ao)
   std::string imds_line_pw = getShortcutLabel() + "_smap1_pw: SKETCHMAP_POINTWISE USE_OUTPUT_DATA_FROM=" + getShortcutLabel() + "_smap1_cg";
   imds_line_pw += pw_step_input + " MIXPARAM=1.0"; readInputLine( imds_line_pw );
   // Now sketch-map
-  unsigned asteps; parse("ANNEAL_STEPS",asteps); std::string psmap = getShortcutLabel() + "_smap1.0_pw";
+  unsigned asteps; parse("ANNEAL_STEPS",asteps); std::string psmap = getShortcutLabel() + "_smap1_pw";
   if( asteps>1 ) {
       double smear; parse("ANNEAL_RATE", smear); double old_mix = 1.0; double new_mix = old_mix*smear;
       for(unsigned i=0;i<asteps;++i) {