Analysis of molecular group densities. More...

#include <analysis.h>

Inheritance diagram for Faunus::analysis::MoleculeDensity:

Collaboration diagram for Faunus::analysis::MoleculeDensity:

Public Member Functions
	MoleculeDensity (const json &j, const Space &spc)

Public Member Functions inherited from Faunus::analysis::Density
template<RequireNamedElements Range>
	Density (const Space &spc, const Range &atoms_or_molecules, const std::string_view name)

Public Member Functions inherited from Faunus::analysis::Analysis
void	to_json (json &j) const
	JSON report w. statistics, output etc.

void	from_json (const json &j)
	configure from json object

void	to_disk ()
	Save data to disk (if defined) More...

void	sample ()
	Increase step count and sample. More...

int	getNumberOfSteps () const
	Number of steps.

	Analysis (const Space &spc, std::string_view name)

	Analysis (const Space &spc, std::string_view name, int sample_interval, int number_of_skipped_steps)

Additional Inherited Members
Public Attributes inherited from Faunus::analysis::Analysis
const std::string	name
	descriptive name

std::string	cite
	url, doi etc. describing the analysis

Protected Types inherited from Faunus::analysis::Density
using	Table = Equidistant2DTable< unsigned int, double >

using	id_type = size_t

Protected Member Functions inherited from Faunus::analysis::Density
void	_to_disk () override
	save sampled data to disk More...

void	_sample () override
	perform sample event

void	_to_json (json &j) const override
	provide json information

Static Protected Member Functions inherited from Faunus::analysis::Density
static void	writeTable (std::string_view name, Table &table)
	Write histograms to disk.

Protected Attributes inherited from Faunus::analysis::Density
std::map< id_type, Average< double > >	mean_density

std::map< id_type, std::string_view >	names

Protected Attributes inherited from Faunus::analysis::Analysis
const Space &	spc
	Instance of Space to analyse.

int	sample_interval = 0
	Steps in between each sample point (do not modify)

int	number_of_samples = 0
	counter for number of samples

Detailed Description

Analysis of molecular group densities.

The documentation for this class was generated from the following files:

Public Member Functions