RadialDistributionFunction Class Reference

Inheritance diagram for RadialDistributionFunction:

[legend]Collaboration diagram for RadialDistributionFunction:

[legend]List of all members.

---

Detailed Description

This creates a histogram for the radial distribution function.

Author:

Brian Moore, John Schneiderman

Definition at line 33 of file radialdistribution.h.

Public Member Functions
virtual void	acquire (const Cluster &cluster)
	RadialDistributionFunction (const ConfigurationDatabase &conf)
virtual void	write (int numAtoms, string base_name)
Private Attributes
double	m_pi

---

Constructor & Destructor Documentation

RadialDistributionFunction::RadialDistributionFunction (  const ConfigurationDatabase &  conf  )

General constructor. Parameters: conf  is the configuration for the radial distribution function. Definition at line 33 of file radialdistribution.cpp. References ConfigurationDatabase::doubleValue(), ConfigurationDatabase::intValue(), m_pi, and BaseHistogram::m_pullingInterval. Here is the call graph for this function:

---

Member Function Documentation

void RadialDistributionFunction::acquire (  const Cluster &  cluster  )  [virtual]

Take sample readings from a cluster to build a histogram of the radial distribution function. Parameters: cluster  is the cluster to pull the information from. Implements BaseHistogram. Definition at line 39 of file radialdistribution.cpp. References BaseHistogram::m_bins, BaseHistogram::m_histogramBin, BaseHistogram::m_max, BaseHistogram::m_min, BaseHistogram::m_numberHistogramsTaken, Cluster::size(), Coordinate::x, Coordinate::y, and Coordinate::z. Referenced by MDLJ_Simulation::run(), and MCLJ_Simulation::run(). Here is the call graph for this function:

void RadialDistributionFunction::write (  int  numAtoms, string  base_name )  [virtual]

Writes out the radial distribution function values. Parameters: numAtoms  is the number of atoms in the cluster. base_name  is the base name for the radial distribution function created using a file name base_name.rdf Implements BaseHistogram. Definition at line 79 of file radialdistribution.cpp. References BaseHistogram::m_bins, BaseHistogram::m_histogramBin, BaseHistogram::m_max, BaseHistogram::m_min, BaseHistogram::m_numberHistogramsTaken, m_pi, and Cluster::PRECISION. Referenced by MDLJ_Simulation::run(), and MCLJ_Simulation::run().

---

Member Data Documentation

double RadialDistributionFunction::m_pi [private]

Parameters: m_pi  is the value of pi Definition at line 55 of file radialdistribution.h. Referenced by RadialDistributionFunction(), and write().

---

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

• histograms/radialdistribution.h
• histograms/radialdistribution.cpp

---