Trajectory with charge and radius, only, for all (active, inactive) particles. More...

#include <analysis.h>

Inheritance diagram for Faunus::analysis::QRtraj:

Collaboration diagram for Faunus::analysis::QRtraj:

Public Member Functions
	QRtraj (const json &j, const Space &spc, const std::string &name="qrtraj")

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)

Protected Attributes
std::function< void()>	write_to_file
	Write a single frame to stream.

std::unique_ptr< std::ostream >	stream = nullptr
	Output stream.

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

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

Detailed Description

Trajectory with charge and radius, only, for all (active, inactive) particles.

For use with VMD to visualize charge fluctuations and grand canonical ensembles. Inactive particles have zero charge and radius. If the filename ends with .gz a GZip compressed file is created.

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

src/analysis.h
src/analysis.cpp

Public Member Functions

Protected Attributes

Additional Inherited Members

Detailed Description