Ticket #6027 (closed: fixed)

Opened 8 years ago

Last modified 5 years ago

Export MD geometry to Python

Reported by: Alex Buts Owned by: Martyn Gigg
Priority: major Milestone: Release 3.0
Component: Python Keywords:
Cc: Blocked By:
Blocking: Tester: Owen Arnold

Description

To do proper comparison between Mantid and other packages and also plotting in, say matplotlib, it is necessary to export MDGeometry to Python

Change History

comment:1 Changed 8 years ago by Nick Draper

  • Owner set to Martyn Gigg
  • Status changed from new to assigned

comment:2 Changed 8 years ago by Martyn Gigg

  • Milestone changed from Release 2.4 to Release 2.5

comment:3 Changed 7 years ago by Nick Draper

  • Milestone changed from Release 2.5 to Release 2.6

Moved to r2.6 at the end of r2.5

comment:4 Changed 7 years ago by Nick Draper

  • Status changed from assigned to new

comment:5 Changed 7 years ago by Nick Draper

  • Component changed from VATES to User Interface

comment:6 Changed 7 years ago by Nick Draper

  • Milestone changed from Release 2.6 to Backlog

Moved to backlog at the code freeze for R2.6

comment:7 Changed 7 years ago by Martyn Gigg

  • Keywords Poker added
  • Component changed from User Interface to Python API
  • type changed from task to enhancement
  • Milestone changed from Backlog to Release 3.0

comment:8 Changed 7 years ago by Martyn Gigg

  • Status changed from new to inprogress

comment:9 Changed 7 years ago by Nick Draper

  • Keywords Poker removed

Poker Estimate: 2d

comment:10 Changed 7 years ago by Martyn Gigg

Fix bug id naming within MDEventsTestHelper.

Refs #6027

Changeset: 0436efde54f37c4ad898fd24f263460a2435d156

comment:11 Changed 7 years ago by Martyn Gigg

Start exporting methods from MDGeometry to Python.

IMDWorkspace now inherits (python side) from both Workspace & MDGeoemetry. Refs #6027

Changeset: 1dcfc55e5ec4dc15c4c9d79c0c9640f3f509f6d4

comment:12 Changed 7 years ago by Martyn Gigg

Started exporting VMD class to python.

Required by basis vector methods in MDGeometry Refs #6027

Changeset: 608c45fb348461f7d45935cb2353a8ba1bd3df64

comment:13 Changed 7 years ago by Martyn Gigg

Finish export of VMD to Python.

Added an additional norm2 method to Kernel::VMD to bring it inline with the V3D export so that the interfaces look similar. Refs #6027

Changeset: e26c8867ea9b40d5ae93556d8b57a1d0c5728d04

comment:14 Changed 7 years ago by Martyn Gigg

Finish MDGeometry exports to Python. Refs #6027

Changeset: f5f112d2fced2d7c300152dfa02849c8a257b945

comment:15 Changed 7 years ago by Martyn Gigg

  • Status changed from inprogress to verify
  • Resolution set to fixed

Branch: feature/6027_export_mdgeometry_python

Tester: The MDGeometry cannot be directly instantiated in Python. It needs to be tested through an MDHistoWorkspace. Use the script below to generate one:

CreateSimulationWorkspace(Instrument='MARI',BinParams='-11,0.1,11',OutputWorkspace='ws')
AddSampleLog(Workspace='ws',LogName='ei',LogText='12',LogType='Number')
ConvertToMD(InputWorkspace='ws',OutputWorkspace='mdws',QDimensions='Q3D',QConversionScales='HKL',MinValues='-11,-11,-11,-11',MaxValues='11,11,11,11')

BinMD(InputWorkspace='mdws',AlignedDim0='Q_lab_x,-11,11,10',AlignedDim1='Q_lab_y,-11,11,10',AlignedDim2='Q_lab_z,-11,11,10',AlignedDim3='DeltaE,-11,11,10',OutputWorkspace='sliced')

This also required the VMD class to be exported. Check its methods too: http://download.mantidproject.org/docs/develop/python/html/api/generated/VMD.html

The list of methods to check is listed here: http://download.mantidproject.org/docs/develop/python/html/api/generated/MDGeometry.html

Check that the unit tests for

comment:16 Changed 7 years ago by Martyn Gigg

Fix almostEquals test on python 2.6

Refs #6027

Changeset: d7726f3d025c335d168d81b1605b0cc3aa0e42b4

comment:17 Changed 7 years ago by Owen Arnold

  • Status changed from verify to verifying
  • Tester set to Owen Arnold

comment:18 Changed 7 years ago by Owen Arnold

  • Status changed from verifying to closed

Merge remote-tracking branch 'origin/feature/6027_export_mdgeometry_python'

comment:19 Changed 7 years ago by Owen Arnold

This all looks good.

I've tested out all these newly exposed methods, and they behave exactly as I would expect.

comment:20 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue 6873

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