Changes in src/Actions/AnalysisAction/PairCorrelationAction.cpp [be21fa:7b1a19]

File:

• src/Actions/AnalysisAction/PairCorrelationAction.cpp (modified) (3 diffs)

src/Actions/AnalysisAction/PairCorrelationAction.cpp

@@ -44 +44 @@
 /** =========== define the function ====================== */
 Action::state_ptr AnalysisPairCorrelationAction::performCall() {
-  int ranges[3] = {1, 1, 1};
   ofstream output;
   ofstream binoutput;
@@ -51 +50 @@
 
   // execute action
-  output.open(params.outputname.string().c_str());
-  binoutput.open(params.binoutputname.string().c_str());
+  output.open(params.outputname.get().string().c_str());
+  binoutput.open(params.binoutputname.get().string().c_str());
   PairCorrelationMap *correlationmap = NULL;
-  ASSERT(params.elements.size() == 2,
+  ASSERT(params.elements.get().size() == 2,
       "AnalysisPairCorrelationAction::performCall() - Exactly two elements are required for pair correlation.");
-  std::vector<const element *>::const_iterator elemiter = params.elements.begin();
+  std::vector<const element *>::const_iterator elemiter = params.elements.get().begin();
   const World::AtomComposite atoms_first = World::getInstance().getAllAtoms(AtomByType(*(elemiter++)));
   const World::AtomComposite atoms_second = World::getInstance().getAllAtoms(AtomByType(*(elemiter++)));
-  ASSERT(elemiter == params.elements.end(),
+  ASSERT(elemiter == params.elements.get().end(),
       "AnalysisPairCorrelationAction::performCall() - Exactly two elements are required for pair correlation.");
-  double max_distance = params.BinEnd;
-  if (params.BinEnd <= 0.) {
+  double max_distance = params.BinEnd.get();
+  if (params.BinEnd.get() <= 0.) {
     // find max distance within box from diagonal
     const RealSpaceMatrix &M = World::getInstance().getDomain().getM();
@@ -69 +68 @@
   correlationmap = PairCorrelation(atoms_first, atoms_second, max_distance);
   OutputCorrelationMap<PairCorrelationMap>(&output, correlationmap, OutputPairCorrelation_Header, OutputPairCorrelation_Value);
-  binmap = BinData( correlationmap, params.BinWidth, params.BinStart, params.BinEnd );
+  binmap = BinData( correlationmap, params.BinWidth.get(), params.BinStart.get(), params.BinEnd.get() );
   OutputCorrelationMap<BinPairMap> ( &binoutput, binmap, OutputCorrelation_Header, OutputCorrelation_Value );
   delete(binmap);