4.2.5 - Unique Reciprocal Cell - JdlUniqueReciprocalCell

John W. Campbell

4.2.5.1 Introduction

This class stores the unique parameters for a reciprocal unit cell and has methods to regenerate the full set when needed.

Class, constructors and methods:

Class Details
Accessible Fields
Constructor
Get Cell Parameters
List Contents

4.2.5.2 Class Details

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

4.2.5.3 Accessible Fields

No fields with public, package or protected access defined.

4.2.5.4 Constructor

4.2.5.4.1 Introduction

A single constructor is available to construct a JdlUniqueReciprocalCell object from a JdlReciprocalCell object and the crstal system.

Constructor:

Constructor

4.2.5.4.2 Constructor

Create a JdlUniqueReciprocalCell object from a JdlReciprocalCell object and the crystal system number.

Constructor Definition:
public JdlUniqueReciprocalCell (JdlReciprocalCell cell, int isys)
Parameters List:
cell
The reciprocal cell parameters.
isys
The crystal system:
= 1, Triclinic
= 2, Monoclinic
= 3, Orthorhombic
= 4, Tetragonal
= 5, Hexagonal
= 6, Rhombohedral
= 7, Cubic
Note: Will be reset to 1 if outside valid range.

4.2.5.5 Get Cell Parameters

4.2.5.5.1 Introduction

This section has methods to retrieve the unique or full set of cell parameters into an array or a full set into a JdlReciprocalCell object.

Method:

Unique cell into array - getUniqueCellArray
Get crystal system - getCrystalSystem
Get number of unique parameters - getNumberOfUnique
Full cell into array - getFullCellArray
Get full cell - getFullCell
Get wavelength - getWavelength

4.2.5.5.2 Unique cell into array - getUniqueCellArray

Returns the unique reciprocal cell parameters in a 6 element double array.

Method Definition:
public void getUniqueCellArray(double[] cell)
Parameters List:
cell
6 element double array in which the data are to be returned (from 1-6 parameters depending on the crystal system).

4.2.5.5.3 Get crystal system - getCrystalSystem

Returns the stored crystal system number.

Method Definition:
public int getCrystalSystem()
Parameters List:
none
Method Return:
The crystal system number from 1-7.

4.2.5.5.4 Get number of unique parameters - getNumberOfUnique

Returns the number of unique cell parameters stored

Method Definition:
public int getNumberOfUnique()
Parameters List:
none
Method Return:
The number of unique cell parameters.

4.2.5.5.5 Full cell into array - getFullCellArray

Returns the full set of reciprocal cell parameters in a 6 element double array.

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

4.2.5.5.6 Get full cell - getFullCell

Returns the full cell in a JdlReciprocalCell object.

Method Definition:
public JdlReciprocalCell getFullCell()
Parameters List:
none
Method Return:
The cell.

4.2.5.5.7 Get wavelength - getWavelength

Return the wavelength.

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

4.2.5.6 List Contents

4.2.5.6.1 Introduction

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

Method:

List contents - listContents

4.2.5.6.2 List contents - listContents

List the JdlUniqueCell object contents.

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

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