John W. Campbell
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
- Package:
- Jdl.JdlPX;
- Class name:
- JdlRotReflOutputHandler
- Class definition:
- public interface JdlRotReflOutputHandler
- Extends:
- Object
- Implements:
- none
- Actions:
- none
No fields with public, package or protected access defined.
This interface has a single method to perform the required output.
Method:
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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