4.8.4 - Output Rotation Reflections - JdlRotReflOutputHandler

John W. Campbell

4.8.4.1 Introduction

This is an interface for outputting predicted reflection details (Rotation method) for the reflection prediction methods in the JdlCrystalCalculations class.

Definition and methods:

Class Details
Accessible Fields
Methods

4.8.4.2 Class Details

Package:
Jdl.JdlPX;
Class name:
JdlRotReflOutputHandler
Class definition:
public interface JdlRotReflOutputHandler
Extends:
Object
Implements:
none
Actions:
none

4.8.4.3 Accessible Fields

No fields with public, package or protected access defined.

4.8.4.4 Methods

4.8.4.4.1 Introduction

This interface has a single method to perform the required output.

Method:

Output reflection - outputPredictedReflection

4.8.4.4.2 Output reflection - outputPredictedReflection

A method for use with the rotation image reflection prediction method predictRotationReflections in JdlCrystalCalculations.

Method Definition:
public boolean outputPredictedReflection (int[] ihkl, int ir_flag, double phi, double[] xrlpe, double rlorf, double phiw, double dst2mx, int nimg, int ifirst, int inr_flag, double rotimg_start, double deleps1, double deleps2, double dratio)
Parameters List:
ihkl
3 element array containing the reflection indices h, k, l.
ir_flag
Recorded flag:
= 0, Not recorded
= 1, Full
= 2, Good partial (<= nwmax images)
= 3, Too-wide partial
= 4, Within cusp but part visible
= 100, Quick Prediction - not all parameters will be set in this case.
phi
Phi value when reciprocal lattice point is on the Ewald sphere.
xrlpe
Reciprocal lattice coordinates for the reflection when on Ewald sphere with respect to the laboratory axes.
rlorf
Lorentz factor [Not set for quick prediction].
dst2mx
Maximum value of (dstar)**2 as used in the prediction.
nimg
No. of images over which spot spread (1=full spot); 0 if too wide (>NWMAX images) [Not set for quick prediction].
ifirst
First image for spot (offset from current image) [Not set for quick prediction].
inr_flag
Not recorded flag:
= 0, Recorded
= 1, On rotation axis
= 2, Within cusp
= 3, Greater than extended resolution limit
= 4, Not-recorded but still in list [Not set for quick prediction]
rotimg_start
Start angle for the oscillation range.
deleps1
Fraction of spot remaining to pass through Ewald sphere at start of oscillation. [Not set for quick prediction].
deleps2
Fraction of spot that has already passed through Ewald sphere at end of oscillation. [Not set for quick prediction].
dratio
Fraction recorded for rejection criterion >=1.0 for fully's - the larger the safer. [Not set for quick prediction].
Method Return:
Error return: Return true if an error found, otherwise false.

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