4.2.3 - Reciprocal Cell - JdlReciprocalCell

John W. Campbell

4.2.3.1 Introduction

This class stores a reciprocal cell and has methods to determine the corresponding real cell if required.

Class, constructors and methods:

Class Details
Accessible Fields
Constructors
Set Cell Parameters
Get Cell Parameters
Get Real Cell
List Contents

4.2.3.2 Class Details

Package:
Jdl.JdlPX;
Class name:
JdlReciprocalCell
Class definition:
public class JdlReciprocalCell
Extends:
Object
Implements:
Cloneable
Actions:
none

4.2.3.3 Accessible Fields

No fields with public, package or protected access defined.

4.2.3.4 Constructors

4.2.3.4.1 Introduction

Constructors are available to construct a JdlReciprocalCell object from an array of values or from a set of individual reciprocal cell parameters.

Constructors:

Constructor 1
Constructor 2

4.2.3.4.2 Constructor 1

Create a JdlReciprocalCell object from an array containing the reciprocal cell parameters and the wavelength.

Constructor Definition:
public JdlReciprocalCell (double[] rcell, double wavelength)
Parameters List:
rcell
The reciprocal cell parameters in a 6 element double array (a*, b*, c*, alpha*, beta*, gamma* (dimensionless and degrees)).
wavelength
The wavelength in Angstroms.

4.2.3.4.3 Constructor 2

Create a JdlReciprocalCell object from a real cell and the wavelength.

Constructor Definition:
public JdlReciprocalCell (JdlCell cell, double wavelength)
Parameters List:
cell
The real cell.
wavelength
The wavelength in Angstroms.

4.2.3.5 Set Cell Parameters

4.2.3.5.1 Introduction

This section has a methods to set individual cell parameters an the wavelength.

Methods:

Set A* - setAstar
Set B* - setBstar
Set C* - setCstar
Set Alpha* - setAlphastar
Set Beta* - setBetastar
Set Gamma* - setGammastar
Set wavelength - setWavelength

4.2.3.5.2 Set A* - setAstar

Set the reciprocal cell parameter A*.

Method Definition:
public void setAstar(double astar)
Parameters List:
astar
The reciprocal cell parameter A* (dimensionless).

4.2.3.5.3 Set B* - setBstar

Set the reciprocal cell parameter B*.

Method Definition:
public void setBstar(double bstar)
Parameters List:
bstar
The reciprocal cell parameter B* (dimensionless).

4.2.3.5.4 Set C* - setCstar

Set the reciprocal cell parameter C*.

Method Definition:
public void setCstar(double cstar)
Parameters List:
cstar
The reciprocal cell parameter C* (dimensionless).

4.2.3.5.5 Set Alpha* - setAlphastar

Set the reciprocal cell parameter Alpha*.

Method Definition:
public void setAlphastar(double alphastar)
Parameters List:
alphastar
The reciprocal cell parameter Alpha* in degrees.

4.2.3.5.6 Set Beta* - setBetastar

Set the reciprocal cell parameter Beta*.

Method Definition:
public void setBetastar(double betastar)
Parameters List:
betastar
The reciprocal cell parameter Beta* in degrees.

4.2.3.5.7 Set Gamma* - setGammastar

Set the reciprocal cell parameter Gamma*.

Method Definition:
public void setGammastar(double gammastar)
Parameters List:
gammastar
The reciprocal cell parameter Gamma* in degrees.

4.2.3.5.8 Set wavelength - setWavelength

Set the wavelength.

Method Definition:
public void setWavelength (double wavelength)
Parameters List:
wavelength
The wavelength in Angstroms.

4.2.3.6 Get Cell Parameters

4.2.3.6.1 Introduction

This section has methods to retrieve the reciprocal cell parameters into an array from a JdlReciprocalCell object and to retrieve the wavelength.

Method:

Cell into array - getCellArray
Get wavelength - getWavelength

4.2.3.6.2 Cell into array - getCellArray

Returns the array elements in a 6 element double array.

Method Definition:
public void getCellArray(double[] rcell)
Parameters List:
rcell
6 element double array in which the data are to be returned.

4.2.3.6.3 Get wavelength - getWavelength

Return the wavelength.

Method Definition:
public double getWavelength()
Parameters List:
none
Method Return:
The wavelength

4.2.3.7 Get Real Cell

4.2.3.7.1 Introduction

This section has methods to calculate the real cell and return it either as a JdlCell object or in an array.

Methods:

Get real cell - realCell
Get real cell - realCell

4.2.3.7.2 Get real cell - realCell

Return the real cell.

Method Definition:
public JdlCell realCell()
Parameters List:
none
Method Return:
The real cell as a JdlCell object.

4.2.3.7.3 Get real cell - realCell

Return the real cell in an array.

Method Definition:
public void realCell (double[] cll)
Parameters List:
cll
A six element double array in which the cell parameters will be returned.

4.2.3.8 List Contents

4.2.3.8.1 Introduction

This section has a single method to list the object contents primarily for diagnostic purposes.

Method:

List contents - listContents

4.2.3.8.2 List contents - listContents

List the JdlReciprocalCell object contents.

Method Definition:
public void listContents()
Parameters List:
none
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