Calculate in plane angle properly

[Owen Arnold]

The calculations introduced in #7012 are correct, but the way that I implemented the linear algebra in numpy is incorrect. This issue meant that I was unable to calculate the in-plane angles correctly, and so left that calculation out.

• Explicitly convert to numpy.matrix, to peform the transform to orthonormal coordinates. A single angle should be returned.
• Correctly calculate the in plane angles and return that angle in addition to the others
• Unit test all results

[Owen Arnold]

refs #7601. Inplane angles calculated and returned.

Inplane angles calculated from cross product of two directions. Angle calculated w.r.t target reflection. Fix issue with linear algebra and apply unit tests to all.

Changeset: fe3b2196dcd2ee4fbd98a163c0fccbe3ba2f1148

[Owen Arnold]

I wouldn't normally make a change this close to the release, but the outputs of the previous were essentially wrong, even though the calculation was correct. This would have made it unusable. The changes relate to python scripts, which are newly introduced, so the probability of side-effects are small.

[Owen Arnold]

Tester: A test script would be something like this:

from CrystalTools.ExtendedUnitCell import *

horizontal1 = [0, 1, 0]
horizontal2 = [0, 0, 1]
reflectionOfInterest =  [1 ,1 ,1]
cell = createFromLatticeParameters(1, 1, 1, 90, 90, 90)
xAngle, yAngle, zAngle = cell.recAnglesFromReflections(horizontal1, horizontal2, reflectionOfInterest)

print xAngle, yAngle, zAngle 

You can also use the table in ​​http://www.cleanroom.byu.edu/EW_orientation.phtml to verify the results, and formulate further tests. This has been used to construct the unit tests (ExtendedUnitCellTest.py)

[Gesner Passos]

Merge remote-tracking branch 'origin/feature/7601_inplane_angles'

[Gesner Passos]

It corrects the calculation of a module introduced in this release, so it deserves be correct now. The unit tests ensure that the corrections now receives the correct results. And the proposed test works nice. I also agree that the side effects are really improbable.

[Stuart Campbell]

This ticket has been transferred to github issue ​8446