Package ffx.ui.commands

Class SimulationDefinition

java.lang.Object

ffx.ui.commands.SimulationDefinition

All Implemented Interfaces:

Serializable

public class SimulationDefinition
extends Object
implements Serializable

The SimulationDefinition class is a serializable wrapper that specifies an FFX simulation.

Author:

Michael J. Schnieders

See Also:

• Serialized Form

Field Summary

Fields

Modifier and Type	Field	Description
int[]	atomic
double[]	charge
int[][]	connectivity
double[][]	coordinates
String	file
String	forcefield
String[]	keywords
double[]	mass
String[]	name
int	numatoms
int	numkeys
boolean	read
String[]	story
int[]	types

Constructor Summary

Constructors

Constructor	Description
SimulationDefinition(int a, int k)	Constructor that allocates space for a simulation definition.

Method Summary

Modifier and Type	Method	Description
void	print()	print
String	toString()	toString

Methods inherited from class java.lang.Object

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

Field Details

read

public boolean read

numatoms

public int numatoms

numkeys

public int numkeys

file

public String file

forcefield

public String forcefield

keywords

public String[] keywords

coordinates

public double[][] coordinates

connectivity

public int[][] connectivity

types

public int[] types

name

public String[] name

story

public String[] story

charge

public double[] charge

mass

public double[] mass

atomic

public int[] atomic

Constructor Details

SimulationDefinition

public SimulationDefinition(int a,
 int k)

Constructor that allocates space for a simulation definition.

Parameters:

a - The number of atoms

k - The number of keywords

Method Details

print

public void print()

print

toString

public String toString()

toString

Overrides:

toString in class Object

Returns:

a String object.