Package etomica.config

Class ConfigurationFileBinary

java.lang.Object

etomica.config.ConfigurationFileBinary

All Implemented Interfaces:

Configuration

public class ConfigurationFileBinary
extends java.lang.Object
implements Configuration

reads configuration coordinates from a binary file and assigns them to the leaf atoms in a box. The file format can be written by WriteConfigurationBinary.

Field Summary

Fields

Modifier and Type	Field	Description
protected java.lang.String	confName

Constructor Summary

Constructors

Constructor	Description
ConfigurationFileBinary(java.lang.String aConfName)

Method Summary

Modifier and Type	Method	Description
void	initializeCoordinates(Box box)	Defines the placement of the molecules.
static void	replicate(Configuration config, Box box1, int[] reps, Space space)	Reads the configuration from the file and then replicates the configuration reps times in each direction.
static void	rescale(Configuration config, Box box1, double density1, Space space)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

confName

protected final java.lang.String confName

Constructor Detail

ConfigurationFileBinary

public ConfigurationFileBinary(java.lang.String aConfName)

Method Detail

initializeCoordinates

public void initializeCoordinates(Box box)

Description copied from interface: Configuration

Defines the placement of the molecules. Atoms in all lists are considered for placement. Subclasses define the specific algorithm for placement, and for interpretation of the different lists. Some subclasses will simply place all atoms as if they are in a single list, while others will place atoms in different lists in different ways, for example to form a lattice appropriate to a compound (i.e., a solid-box mixture).

Specified by:

initializeCoordinates in interface Configuration

replicate

public static void replicate(Configuration config,
                             Box box1,
                             int[] reps,
                             Space space)

Reads the configuration from the file and then replicates the configuration reps times in each direction. The new configuration is then written out to outFilename (also as binary). The density and original number of atoms are required as input.

rescale

public static void rescale(Configuration config,
                           Box box1,
                           double density1,
                           Space space)