Ticket #7012 (closed: fixed)
In-plane angles between reflections
Reported by: | Owen Arnold | Owned by: | Owen Arnold |
---|---|---|---|
Priority: | critical | Milestone: | Release 2.6 |
Component: | GUI | Keywords: | |
Cc: | Blocked By: | ||
Blocking: | Tester: | Nick Draper |
Description
Determine the in-plane angles between reflections. Pascal already has a mechanism for doing this. He can send the code as a first-shot at the problem.
Change History
comment:2 Changed 7 years ago by Nick Draper
- Milestone changed from Release 2.6 to Backlog
Moved to the Backlog after R2.6
comment:3 Changed 7 years ago by Owen Arnold
Online tool giving reference results http://www.cleanroom.byu.edu/EW_orientation.phtml
comment:5 Changed 7 years ago by Owen Arnold
- Status changed from new to inprogress
refs #7012. Implement as python module.
ExtendedUnitCell is a wrapper around the UnitCell type. Unit tests have been provided around this first-cut.
Changeset: a219a6e5d96a464a4d39ceba1da438dbf95056c8
comment:6 Changed 7 years ago by Owen Arnold
refs #7012. Fix merge conflict.
Changeset: 1142d391617231819f88d59d2afa930755520499
comment:7 Changed 7 years ago by Owen Arnold
Tester. Have a look at the unit tests to get some idea how to test this.
Here's a script to run in Mantid:
from CrystalTools.ExtendedUnitCell import * horizontal1 = [0, 1, 0] horizontal2 = [0, 0, 1] reflectionOfInterest = [1 ,1 ,1] cell = createFromLatticeParameters(1, 1, 1, 90, 90, 90) xAngleTensor, yAngleTensor = cell.recAnglesFromReflections(horizontal1, horizontal2, reflectionOfInterest) print xAngleTensor print print yAngleTensor
Now use the parameters from the cubic table in http://www.cleanroom.byu.edu/EW_orientation.phtml to verify the outputs.
comment:8 Changed 7 years ago by Owen Arnold
- Status changed from inprogress to verify
- Resolution set to fixed
comment:9 Changed 7 years ago by Nick Draper
- Status changed from verify to verifying
- Tester set to Nick Draper
comment:10 Changed 7 years ago by Nick Draper
tested against the reference implementation.
All fine
comment:12 Changed 7 years ago by Nick Draper
re #7012 resolve conflict
Merge remote-tracking branch 'origin/feature/7012_crystal_tools'
Conflicts:
Code/Mantid/scripts/CMakeLists.txt
Changeset: 14557834778b8daa17656d476299d74eb355ced1
comment:13 Changed 5 years ago by Stuart Campbell
This ticket has been transferred to github issue 7858