45#ifndef APPLICATIONS_STATICPROPS_P2R_HPP
46#define APPLICATIONS_STATICPROPS_P2R_HPP
48#include "applications/staticProps/RadialDistrFunc.hpp"
55 P2R(
SimInfo* info,
const string& filename,
const string& sele1,
57 P2R(
SimInfo* info,
const string& filename,
const string& sele1,
58 const string& sele2,
unsigned int nbins);
59 P2R(
SimInfo* info,
const string& filename,
const string& sele,
60 const int seleOffset,
unsigned int nbins);
61 P2R(
SimInfo* info,
const string& filename,
const string& sele,
62 const int seleOffset,
const int seleOffset2,
unsigned int nbins);
64 virtual void process();
67 void processHistogram();
75 string selectionScript1_;
76 string selectionScript2_;
"selection/SelectionEvaluator"
One of the heavy-weight classes of OpenMD, SimInfo maintains objects and variables relating to the cu...
The Snapshot class is a repository storing dynamic data during a Simulation.
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.