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 <math.h>
#include <memory>
#include <sstream>
#include <string>
#include <sys/stat.h>
#include <vector>
#include <mol_sys.hpp>
#include <order_parameter.hpp>
#include <ring.hpp>
#include <seams_input.hpp>
#include <seams_output.hpp>

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Namespaces
	rdf2
	Defines RDF-specific functions.

Functions
int	rdf2::rdf2Danalysis_AA (std::string path, std::vector< double > *rdfValues, molSys::PointCloud< molSys::Point< double >, double > *yCloud, double cutoff, double binwidth, int firstFrame, int finalFrame)
std::vector< int >	rdf2::sampleRDF_AA (molSys::PointCloud< molSys::Point< double >, double > *yCloud, double cutoff, double binwidth, int nbin)
	Samples the RDF histogram at every step. More...
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. More...
std::vector< double >	rdf2::getSystemLengths (molSys::PointCloud< molSys::Point< double >, double > *yCloud)
	Gets the lengths of the volume slice of the quasi-two-dimensional system. More...
double	rdf2::getPlaneArea (std::vector< double > volumeLengths)
	Gets the plane area from the volume lengths vector. More...

Detailed Description

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

Definition in file rdf2d.hpp.