4.7.6 - Re-flag Laue Spot - JdlLaueSpotReflag

John W. Campbell

4.7.6.1 Introduction

This class is used, for example, in conjunction with the 'interactive' Laue prediction simulations JdlPXSimulations object. It enables the recalculation of a predicted Laue flags/lambda etc for reduced/increased (as approprate) values of the following parameters:
Lambda-min (increased from prediction value limit)
Lambda-max (decreased from prediction value limit)
Dmin (increased from prediction value limit)

Class, constructors and methods:

Class Details
Accessible Fields
Constructors

4.7.6.2 Class Details

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

4.7.6.3 Accessible Fields

No fields with public, package or protected access defined.

4.7.6.4 Constructors

4.7.6.4.1 Introduction

Constructors are available to construct a JdlReflectionReflag object with either a specific list of parameters or with objects containing these values.

Constructors:

Standard Constructor
Constructor 2
Constructor 3
Set current lambda-min - setCurrentLambdaMin
Set current lambda-max - setCurrentLambdaMax
Set current dmin - setCurrentDmin
Get current lambda-min - getCurrentLambdaMin
Get current lambda-max - getCurrentLambdaMax
Get current dmin - getCurrentDmin
Get full lambda-min - getFullLambdaMin
Get full lambda-max - getFullLambdaMax
Get full dmin - getFullDmin
Get minimum lambda-min - getMinimumLambdaMin
Get maximum lambda-min - getMaximumLambdaMin
Get minimum lambda-max - getMinimumLambdaMax
Get maximum lambda-max - getMaximumLambdaMax
Get minimum dmin - getMinimumDmin
Get maximum dmin - getMaximumDmin
Reset spot details - resetSpot

4.7.6.4.2 Standard Constructor

This constructs the object with explicitly defined parameters. These must be the same as those used when the 'over-predicted' spot list, whose spots are to be re-flagged, was created. The over-prediction factor is specified as one of the parameters and current values for the variable items are taken as the values used in the prediction multiplied/divided by the over-prediction factor (i.e. reducing the predicted spot set)

Constructor Definition:
public JdlLaueSpotReflag(double lmin, double lmax, double dmin, double multfac, double limfac)
Parameters List:
lmin
The lambda-min value used in the over-prediction.
lmax
The lambda-max value used in the over-prediction.
dmin
The 'dmin' value used in in the over-prediction.
multfac
The over-prediction factor.
limfac
The factor by which to extend the range of lambda-min, lambda-max, and dmin for interactive pattern displays using the JdlPXSimulations object (extends if opposite direction from multfac i.e. it increases lambda-min and dmin and decreases lambda-max).

4.7.6.4.3 Constructor 2

Construct a JdlLaueSpotReflag object from JdlPositionedDetector and JdlPositionedCrystal objects. These objects must contain the parameter values of lambda_min, lambda_max and dmin (resolution) used in the over-prediction.

Constructor Definition:
public JdlLaueSpotReflag(JdlPositionedDetector posdet, JdlPositionedCrystal poscrys, double multfac, double limfac)
Parameters List:
posdet
A JdlPositionedDetector object containing details of the positioned detector, gonioneter and X-ray source.
poscrys
A JdlPositionedCrystal containing details of the crystal cell, symmetry and setting.
multfac
The over-prediction factor.
limfac
The factor by which to extend the range of lambda-min, lambda-max, and dmin for interactive pattern displays using the JdlPXSimulations object (extends if opposite direction from multfac i.e. it increases lambda-min and dmin and decreases lambda-max).

4.7.6.4.4 Constructor 3

Construct a JdlLauSpotReflag object from a JdlDiffractionDataModule object.

Constructor Definition:
public JdlLaueSpotReflag(JdlDiffractionDataModule ddm, int iset, int img, boolean scaled, double multfac, double limfac)
Parameters List:
ddm
The JdlDiffractionDataModule object containing the detector and crystal data used in the prediction. NOTE: In this case, in contrast to that for the other constructors, the JdlDiffractionDataModule object may contain the prediction values for the prediction before scaling up/down for the over-prediction (see 'scaled' parameter).
iset
The set number within the Diffraction Data Module. for which the prediction was carried out.
img
The (reference) image number - normally 1.
scaled
If true, it is assumed that the DDM data contains the relevant parameters (lambda-min, lambda-max, resolution) already scaled up/down by 'multfac'. If false, then it is assumed that the DDM data contains the relevant parameters (lambda-min, lambda-max, resolution) with values prior to scaling up/down by multfac for the over-prediction.
multfac
The over-prediction factor.
limfac
The factor by which to extend the range of lambda-min, lambda-max, and dmin for interactive pattern displays using the JdlPXSimulations object (extends if opposite direction from multfac i.e. it increases lambda-min and dmin and decreases lambda-max).

4.7.6.4.5 Set current lambda-min - setCurrentLambdaMin

This method sets a new value for the current lambda-min used by the resetSpot(..) method. This must not be less than the value used in the over-prediction.

Method Definition:
public void setCurrentLambdaMin(double lmin)
Parameters List:
lmin
The lambda-min value.

4.7.6.4.6 Set current lambda-max - setCurrentLambdaMax

This method sets a new value for the current lambda-max used by the resetSpot(..) method. This must not be greater than the value used in the over-prediction.

Method Definition:
public void setCurrentLambdaMax(double lmax)
Parameters List:
lmin
The lambda-max value.

4.7.6.4.7 Set current dmin - setCurrentDmin

This method sets a new value for the current dmin (resolution) used by the resetSpot(..) method. This must not be less than the value used in the over-prediction.

Method Definition:
public void setCurrentDmin(double dmin)
Parameters List:
lmin
The dmin value.

4.7.6.4.8 Get current lambda-min - getCurrentLambdaMin

This method returns the value for the current lambda-min used by the resetSpot(..) method.

Method Definition:
public double getCurrentLambdaMin()
Parameters List:
none

4.7.6.4.9 Get current lambda-max - getCurrentLambdaMax

This method returns the value for the current lambda-max used by the resetSpot(..) method.

Method Definition:
public double getCurrentLambdaMax()
Parameters List:
none

4.7.6.4.10 Get current dmin - getCurrentDmin

This method returns the value for the current dmin used by the resetSpot(..) method.

Method Definition:
public double getCurrentDmin()
Parameters List:
none

4.7.6.4.11 Get full lambda-min - getFullLambdaMin

This method returns the value for the full lambda-min value used in the prediction.

Method Definition:
public double getFullLambdaMin()
Parameters List:
none

4.7.6.4.12 Get full lambda-max - getFullLambdaMax

This method returns the value for the full lambda-max value used in the prediction.

Method Definition:
public double getFullLambdaMax()
Parameters List:
none

4.7.6.4.13 Get full dmin - getFullDmin

This method returns the value for the full dmin value used in the prediction.

Method Definition:
public double getFullDmin()
Parameters List:
none

4.7.6.4.14 Get minimum lambda-min - getMinimumLambdaMin

This method returns the minimum value for lambda-min to be used for the interactive plots in the JdlPXSimulations object.

Method Definition:
public double getMinimumLambdaMin()
Parameters List:
none

4.7.6.4.15 Get maximum lambda-min - getMaximumLambdaMin

This method returns the maximum value for lambda-min to be used for the interactive plots in the JdlPXSimulations object.

Method Definition:
public double getMaximumLambdaMin()
Parameters List:
none

4.7.6.4.16 Get minimum lambda-max - getMinimumLambdaMax

This method returns the minimum value for lambda-max to be used for the interactive plots in the JdlPXSimulations object.

Method Definition:
public double getMinimumLambdaMax()
Parameters List:
none

4.7.6.4.17 Get maximum lambda-max - getMaximumLambdaMax

This method returns the maximum value for lambda-max to be used for the interactive plots in the JdlPXSimulations object.

Method Definition:
public double getMaximumLambdaMax()
Parameters List:
none

4.7.6.4.18 Get minimum dmin - getMinimumDmin

This method returns the minimum value for dmin to be used for the interactive plots in the JdlPXSimulations object.

Method Definition:
public double getMinimumDmin()
Parameters List:
none

4.7.6.4.19 Get maximum dmin - getMaximumDmin

This method returns the maximum value for dmin to be used for the interactive plots in the JdlPXSimulations object.

Method Definition:
public double getMaximumDmin()
Parameters List:
none

4.7.6.4.20 Reset spot details - resetSpot

This method recalculates the parameters which depend on the variable items and returns an updated JdlPredictedLaueSpot object with these updated parameters.

Method Definition:
public JdlPredictedLaueSpot resetSpot(JdlPredictedLaueSpot spot)
Parameters List:
spot
The spot as predicted originally.
Method Return:
The Laue spot with details updated to reflect the changes in the variable items. If the spot is no longer recorded the 'mult' field will be returned as zero.

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