4.2.2 - Cell - JdlCell

John W. Campbell

4.2.2.1 Introduction

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

Class, constructors and methods:

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

4.2.2.2 Class Details

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

4.2.2.3 Accessible Fields

No fields with public, package or protected access defined.

4.2.2.4 Constructors

4.2.2.4.1 Introduction

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

Constructors:

Constructor 1
Constructor 2
Constructor 3

4.2.2.4.2 Constructor 1

Create a JdlCell object from an array containing the cell parameters.

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

4.2.2.4.3 Constructor 2

Create a JdlCell object from another JdlCell object.

Constructor Definition:
public JdlCell (JdlCell cl)
Parameters List:
cell
A JdlCell object.

4.2.2.4.4 Constructor 3

Create a JdlCell object from the individual cell parameters.

Constructor Definition:
public JdlCell (double a, double b, double c, double alpha, double beta, double gamma)
Parameters List:
a
The cell parameter 'a' in Angstroms.
b
The cell parameter 'b' in Angstroms.
c
The cell parameter 'c' in Angstroms.
alpha
The cell parameter 'alpha' in degrees
beta
The cell parameter 'beta' in degrees
gamma
The cell parameter 'gamma' in degrees

4.2.2.5 Set Cell Parameters

4.2.2.5.1 Introduction

This section has a methods to set individual cell parameters.

Methods:

Set A - setA
Set B - setB
Set C - setC
Set Alpha - setAlpha
Set Beta - setBeta
Set Gamma - setGamma

4.2.2.5.2 Set A - setA

Set the cell parameter A.

Method Definition:
public void setA(double a)
Parameters List:
a
The cell parameter A in Angstroms.

4.2.2.5.3 Set B - setB

Set the cell parameter B.

Method Definition:
public void setB(double b)
Parameters List:
b
The cell parameter B in Angstroms.

4.2.2.5.4 Set C - setC

Set the cell parameter C.

Method Definition:
public void setC(double c)
Parameters List:
c
The cell parameter C in Angstroms.

4.2.2.5.5 Set Alpha - setAlpha

Set the cell parameter Alpha.

Method Definition:
public void setAlpha(double alpha)
Parameters List:
alpha
The cell parameter Alpha in degrees.

4.2.2.5.6 Set Beta - setBeta

Set the cell parameter Beta.

Method Definition:
public void setBeta(double beta)
Parameters List:
beta
The cell parameter Beta in degrees.

4.2.2.5.7 Set Gamma - setGamma

Set the cell parameter Gamma.

Method Definition:
public void setGamma(double gamma)
Parameters List:
gamma
The cell parameter Gamma in degrees.

4.2.2.6 Get Cell Parameters

4.2.2.6.1 Introduction

This section has a single method to retrieve the cell parameters into an array from a JdlCell object.

Method:

Cell into array - getCellArray

4.2.2.6.2 Cell into array - getCellArray

Returns the array elements in a 6 element double array.

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

4.2.2.7 Get Reciprocal Cell

4.2.2.7.1 Introduction

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

Methods:

Get reciprocal cell - reciprocalCell
Get reciprocal cell - reciprocalCell

4.2.2.7.2 Get reciprocal cell - reciprocalCell

Return the reciprocal cell.

Method Definition:
public JdlReciprocalCell reciprocalCell (double wavelength)
Parameters List:
wavelength
The wavelength in Angstroms.
Method Return:
The reciprocal of the stored cell as a JdlReciprocalCell object.

4.2.2.7.3 Get reciprocal cell - reciprocalCell

Return the reciprocal cell in an array.

Method Definition:
public void reciprocalCell (double[] rc, double wavelength)
Parameters List:
rc
A six element double array in which the reciprocal cell parameters will be returned.
wavelength
The wavelength in Angstroms.

4.2.2.8 List Contents

4.2.2.8.1 Introduction

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

Method:

List contents - listContents

4.2.2.8.2 List contents - listContents

List the JdlCell object contents.

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

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