45#ifndef APPLICATIONS_STATICPROPS_ANGLER_HPP
46#define APPLICATIONS_STATICPROPS_ANGLER_HPP
48#include "applications/staticProps/RadialDistrFunc.hpp"
52 class AngleR :
public StaticAnalyser {
54 AngleR(SimInfo* info,
const std::string& filename,
const std::string& sele,
55 RealType len,
int nrbins);
57 int getNRBins() {
return nRBins_; }
59 RealType getLength() {
return len_; }
61 virtual void process();
64 void processHistogram();
68 Snapshot* currentSnapshot_;
71 std::string selectionScript_;
72 SelectionEvaluator evaluator_;
73 SelectionManager seleMan_;
79 std::vector<RealType> histogram_;
80 std::vector<RealType> avgAngleR_;
81 std::vector<int> count_;
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.