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  • src/Actions/AnalysisAction/PointCorrelationAction.cpp

    rbe21fa rf10b0c  
    5050
    5151  // execute action
    52   output.open(params.outputname.string().c_str());
    53   binoutput.open(params.binoutputname.string().c_str());
    54   cout << "Point to correlate to is  " << params.Point << endl;
     52  output.open(params.outputname.get().string().c_str());
     53  binoutput.open(params.binoutputname.get().string().c_str());
     54  cout << "Point to correlate to is  " << params.Point.get() << endl;
    5555  CorrelationToPointMap *correlationmap = NULL;
    56   for(std::vector<const element *>::iterator iter = params.elements.begin(); iter != params.elements.end(); ++iter)
     56  for(std::vector<const element *>::const_iterator iter = params.elements.get().begin(); iter != params.elements.get().end(); ++iter)
    5757    cout << "element is " << (*iter)->getSymbol() << endl;
    5858  std::vector<molecule*> molecules = World::getInstance().getSelectedMolecules();
    59   if (params.periodic)
    60     correlationmap  = PeriodicCorrelationToPoint(molecules, params.elements, &params.Point, ranges);
     59  if (params.periodic.get())
     60    correlationmap  = PeriodicCorrelationToPoint(molecules, params.elements.get(), &params.Point.get(), ranges);
    6161  else
    62     correlationmap = CorrelationToPoint(molecules, params.elements, &params.Point);
     62    correlationmap = CorrelationToPoint(molecules, params.elements.get(), &params.Point.get());
    6363  OutputCorrelationMap<CorrelationToPointMap>(&output, correlationmap, OutputCorrelationToPoint_Header, OutputCorrelationToPoint_Value);
    64   binmap = BinData( correlationmap, params.BinWidth, params.BinStart, params.BinEnd );
     64  binmap = BinData( correlationmap, params.BinWidth.get(), params.BinStart.get(), params.BinEnd.get() );
    6565  OutputCorrelationMap<BinPairMap> ( &binoutput, binmap, OutputCorrelation_Header, OutputCorrelation_Value );
    6666  delete(binmap);
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