faunus
Public Member Functions | Protected Types | Protected Attributes | List of all members
Faunus::analysis::PairFunction Class Reference

Base class for distribution functions etc. More...

#include <analysis.h>

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Public Member Functions

 PairFunction (const Space &spc, const json &j, 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)
 

Protected Types

using index_type = size_t
 

Protected Attributes

int dimensions = 3
 dimensions to use when normalizing
 
index_type id1 = 0
 molecule or atom id
 
index_type id2 = 0
 molecule or atom id
 
double dr = 0
 distance resolution
 
std::string name1
 atom or molecule
 
std::string name2
 atom or molecule name
 
std::string file
 output filename
 
Equidistant2DTable< double, double > histogram
 distance histogram
 
Average< double > mean_volume
 average volume (angstrom^3)
 
Eigen::Vector3i slicedir = {0, 0, 0}
 
double thickness = 0
 
- Protected Attributes inherited from Faunus::analysis::Analysis
const Spacespc
 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

Base class for distribution functions etc.


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