Package etomica.models.rowley

Class ConformationMethanol

java.lang.Object

etomica.models.rowley.ConformationMethanol

All Implemented Interfaces:

IConformation

public class ConformationMethanol
extends java.lang.Object
implements IConformation

Conformation for methanol in standard orientation as published in Rowley et al (2006) OpenOffice Spreadsheet file, Methanol coordinates, used to calculate coordinates from bond lengths and angles: K.R. Schadel May 2008

Field Summary

Fields

Modifier and Type	Field	Description
protected boolean	pointCharges
protected Space	space

Constructor Summary

Constructors

Constructor	Description
ConformationMethanol(Space space, boolean pointCharges)

Method Summary

Modifier and Type	Method	Description
void	initializePositions(IAtomList list)	Defined by subclass to assign coordinates to the atoms in the given list.

Methods inherited from class java.lang.Object

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

Field Detail

space

protected final Space space

pointCharges

protected boolean pointCharges

Constructor Detail

ConformationMethanol

public ConformationMethanol(Space space,
                            boolean pointCharges)

Method Detail

initializePositions

public void initializePositions(IAtomList list)

Description copied from interface: IConformation

Defined by subclass to assign coordinates to the atoms in the given list.

Specified by:

initializePositions in interface IConformation