rdf2d.hpp File Reference

File containing functions used to calculate the in-plane radial distribution functions. More...

#include <algorithm>
#include <array>
#include <fstream>
#include <iostream>
#include <iterator>
#include <cmath>
#include <memory>
#include <sstream>
#include <string>
#include <vector>
#include <mol_sys.hpp>
#include <order_parameter.hpp>
#include <ring.hpp>
#include <seams_input.hpp>
#include <seams_output.hpp>

Go to the source code of this file.

Namespaces
namespace	rdf2
	Defines RDF-specific functions.

Functions
int	rdf2::rdf2Danalysis_AA (std::string path, std::vector< double > &rdfValues, const molSys::PointCloud< molSys::Point< double >, double > &yCloud, double cutoff, double binwidth, int firstFrame, int finalFrame)
std::vector< int >	rdf2::sampleRDF_AA (const molSys::PointCloud< molSys::Point< double >, double > &yCloud, double cutoff, double binwidth, int nbin)
	Samples the RDF histogram at every step.
int	rdf2::normalizeRDF (int nopA, std::vector< double > &rdfValues, std::vector< int > histogram, double binwidth, int nbin, std::vector< double > volumeLengths, int nIter)
	Normalize the histogram.
std::vector< double >	rdf2::getSystemLengths (const molSys::PointCloud< molSys::Point< double >, double > &yCloud)
double	rdf2::getPlaneArea (std::vector< double > volumeLengths)
	Gets the plane area from the volume lengths vector.

Detailed Description

File containing functions used to calculate the in-plane radial distribution functions.

Definition in file rdf2d.hpp.