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

Function Documentation

◆ getPlaneArea()

double rdf2::getPlaneArea ( std::vector< double > volumeLengths )

Gets the plane area from the volume lengths vector.

◆ getSystemLengths()

std::vector< double > rdf2::getSystemLengths ( const molSys::PointCloud< molSys::Point< double >, double > & yCloud )

Gets the lengths of the volume slice of the quasi-two-dimensional system. box.size()>=6 returns dump H {lx, ly, lz}; a length-3 box stays the particle AABB so slab tests keep the occupied extents.

◆ normalizeRDF()

int rdf2::normalizeRDF	(	int	nopA,
		std::vector< double > &	rdfValues,
		std::vector< int >	histogram,
		double	binwidth,
		int	nbin,
		std::vector< double >	volumeLengths,
		int	nIter )

nodiscard

Normalize the histogram.

◆ rdf2Danalysis_AA()

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 )

nodiscard

Main function for calculating the RDF for the same type of particle: calls other functions for initializing, sampling and normalizing the RDF

◆ sampleRDF_AA()

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.

Namespaces