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Ticket #7965 (closed: fixed)

Opened 7 years ago

Last modified 5 years ago

[Bayes] QLines - change output WS to *_Workspace format

Reported by:	Samuel Jackson	Owned by:	Samuel Jackson
Priority:	major	Milestone:	Release 3.0
Component:	Indirect Inelastic	Keywords:
Cc:	spencer.howells@…	Blocked By:
Blocking:	#5421, #7966	Tester:	Peter Parker

Description

New ticket request from Spencer. This is to help with integrating the Bayes scripts:

Instead of creating the WS output with names *_FW*, change to the *_Workspace format used by the Fit algorithm as in ConvFit.

The routines ReadQLfile & C2Fw have been merged into a new C2Fw. Routines C2Se, QLplotQL & QLplotQSe has been modified. In routine QLrun, lines 296 & 300 (in the new version) are changes. Lines 303-305 have been added.

Testing:

As before, the WS *_Prob & *_Fit will be the same. WS *_Workspace is new.

Attachments

IndirectBayes.py (30.5 KB) - added by Samuel Jackson 7 years ago.: Updated file: Lines 296 & 300 modified, 303-305 added.
iris21360_graphite002_red.nxs (1.5 MB) - added by Samuel Jackson 7 years ago.: Example reduction file for testing
iris21360_graphite002_res.nxs (153.1 KB) - added by Samuel Jackson 7 years ago.: Example res file for testing
test_Qlines.py (764 bytes) - added by Samuel Jackson 7 years ago.: Script for testing QLines
test_Quest.py (748 bytes) - added by Samuel Jackson 7 years ago.: Script for testing Quest
test_Quest.2.py (805 bytes) - added by Samuel Jackson 7 years ago.: Script for testing Quest

Change History

Changed 7 years ago by Samuel Jackson

Attachment IndirectBayes.py added

Updated file: Lines 296 & 300 modified, 303-305 added.

comment:1 Changed 7 years ago by Samuel Jackson

Cc spencer.howells@… added

comment:2 Changed 7 years ago by Samuel Jackson

Blocking 7966 added

comment:3 Changed 7 years ago by Samuel Jackson

Status changed from new to inprogress

Refs #7965 Updated IndirectBayes with modifications for new workspace.

Changeset: 6dc0015d7b1792b5ce871aaa650433f41a5750a6

comment:4 Changed 7 years ago by Samuel Jackson

Refs #7965 Sample log should be number not string.

Changeset: 61e59bd610088c3d8e9a5c6086cd7f02169b451d

Changed 7 years ago by Samuel Jackson

Attachment iris21360_graphite002_red.nxs added

Example reduction file for testing

Changed 7 years ago by Samuel Jackson

Attachment iris21360_graphite002_res.nxs added

Example res file for testing

comment:5 Changed 7 years ago by Samuel Jackson

Refs #7965 Correction to fix broken system test

Changeset: 1ce5308103eaf1e74f6d7fa4bebd857d4184d0d8

comment:6 Changed 7 years ago by Samuel Jackson

Status changed from inprogress to verify
Resolution set to fixed

To Tester:

This ticket uses some Fortran code, so the testing must be done on a Windows machine.

Use the files provided to run the QLines algorithm. Check that the *_Prob & *_Fit workspaces are still the same as before and that the *_Workspace contains sample logs for Fit program, energy min and energy max.

comment:7 follow-up: ↓ 8 Changed 7 years ago by Nick Draper

Status changed from verify to reopened
Resolution fixed deleted

Error on running on Windows 64:

Error in execution of algorithm QLines:
No module named erange_win64
  at line 41 in 'C:/Mantid/Code/Mantid/Framework/PythonInterface/plugins/algorithms\WorkflowAlgorithms\QLines.py'
  caused by line 8 in 'C:/Mantid/Code/Mantid/scripts/Inelastic\IndirectBayes.py'
  caused by line 90 in 'C:/Mantid/Code/Mantid/scripts/Inelastic\IndirectImport.py'

comment:8 in reply to: ↑ 7 Changed 7 years ago by Samuel Jackson

Did you build this in debug or release? QLines runs Fortran code which I believe only works when the project is built in release mode. Sorry, I should have specified this in the testing section.

Replying to Nick Draper:

Error on running on Windows 64:

Error in execution of algorithm QLines:
No module named erange_win64
  at line 41 in 'C:/Mantid/Code/Mantid/Framework/PythonInterface/plugins/algorithms\WorkflowAlgorithms\QLines.py'
  caused by line 8 in 'C:/Mantid/Code/Mantid/scripts/Inelastic\IndirectBayes.py'
  caused by line 90 in 'C:/Mantid/Code/Mantid/scripts/Inelastic\IndirectImport.py'

comment:9 Changed 7 years ago by Samuel Jackson

Status changed from reopened to verify
Resolution set to fixed

comment:10 Changed 7 years ago by Roman Tolchenov

Status changed from verify to verifying
Tester set to Roman Tolchenov

comment:11 Changed 7 years ago by Roman Tolchenov

Status changed from verifying to reopened
Resolution fixed deleted

Algorithm failed with a python error at line 117 in QLines.py

comment:12 Changed 7 years ago by Samuel Jackson

Status changed from reopened to inprogress

Refs #7965 Updated QLines to reflect merged changes on develop.

Changeset: 213e4b9c84024e853bd61209d1638878e5479773

comment:13 Changed 7 years ago by Samuel Jackson

Status changed from inprogress to verify
Resolution set to fixed

comment:14 Changed 7 years ago by Peter Parker

Status changed from verify to verifying
Tester changed from Roman Tolchenov to Peter Parker

comment:15 Changed 7 years ago by Peter Parker

Status changed from verifying to reopened
Resolution fixed deleted

Tested on Win64 in Release mode. Unfortunately, I'm also getting an error:

Error in execution of algorithm QLines:
invalid literal for long() with base 10: 'Flat'
  at line 100 in 'C:/Development/Source/Mantid/Code/Mantid/Framework/PythonInterface/plugins/algorithms\WorkflowAlgorithms\QLines.py'
  caused by line 235 in 'C:/Development/Source/Mantid/Code/Mantid/scripts/Inelastic\IndirectBayes.py'

My inputs were defaults wherever possible, using 21360 as a res and sam number. I tried the same inputs in Mantid 2.6.1 and it ran without any problems.

comment:16 Changed 7 years ago by Samuel Jackson

Status changed from reopened to inprogress

Refs #7965 Updating QLines with fit options.

Changeset: 190fda9697fc5946f7a0e8872d31e95540740863

comment:17 Changed 7 years ago by Samuel Jackson

Merge branch 'feature/7965_update_QLines_ws_format' into develop

Refs #7965

Conflicts:

Code/Mantid/scripts/Inelastic/IndirectBayes.py

Changeset: 07968d0327fb7aba4c1f6b70d7e874faaa6e3baa

comment:18 Changed 7 years ago by Samuel Jackson

I realised that branch version of IndirectBayes did not have the changes required for QLines to run, but the version in develop did. I've added the relevant changes and this appears to be working locally now.

comment:19 Changed 7 years ago by Samuel Jackson

Status changed from inprogress to verify
Resolution set to fixed

comment:20 Changed 7 years ago by Samuel Jackson

Status changed from verify to reopened
Resolution fixed deleted

comment:21 Changed 7 years ago by Samuel Jackson

Refs #7965 Swapped order of amplitude and width in the workspace.

Also refactored the way the output workspace is generated.

Changeset: 64f5a7c949f26f9508fe19d08204e363ba548c98

comment:22 Changed 7 years ago by Samuel Jackson

Merge branch 'feature/7965_update_QLines_ws_format' of github.com:mantidproject/mantid into feature/7965_update_QLines_ws_format

Refs #7965

Conflicts:

Code/Mantid/scripts/Inelastic/IndirectBayes.py

Changeset: a04d0885d4f5f6d9b4ea0d18d30bf523fc890ad3

comment:23 Changed 7 years ago by Samuel Jackson

Status changed from reopened to inprogress

Refs #7965 Correcting order of C2Se output

Changeset: 139f712cdd0338dadb296ded9528ba3e7da21949

comment:24 Changed 7 years ago by Samuel Jackson

Refs #7965 Corrections to QLines workspace building.

Changeset: c0b099dfcf4f7130ffc9d2951ba79c87e1c7f4a4

comment:25 Changed 7 years ago by Samuel Jackson

Refs #7965 Updating system tests with fit options.

Changeset: 56e0426e6d951fddb2a300738303ce9108f0ff8a

comment:26 Changed 7 years ago by Samuel Jackson

Refs #7965 More refactoring.

Changeset: 00c4132fde3f2008eda0902b51bff9573d22a415

comment:27 Changed 7 years ago by Samuel Jackson

Refs #7965 Correcting C2Se.

Changeset: dce2fdad9a891e4ce33f6331b84c6a67b4445758

comment:28 Changed 7 years ago by Samuel Jackson

Merge branch 'feature/7965_update_QLines_ws_format' into develop

Refs #7965

Conflicts:

Code/Mantid/scripts/Inelastic/IndirectBayes.py

Changeset: 8033f80a0a04759f48e5d0c0031617fa404ca45c

comment:29 Changed 7 years ago by Samuel Jackson

Merge branch 'feature/7965_updateQLines_ws_format' into develop

Refs #7965

Conflicts:

SystemTests/AnalysisTests/ISISIndirectBayesTest.py

Changeset: c76b3c5d7e097cc9972fd3b2755f0852e732eef1

comment:30 Changed 7 years ago by Samuel Jackson

Refs #7965 Added new system tests to check ResNorm loading.

Changeset: 24230719fa286f941db3089bbeeee6dc5a798ce5

comment:31 Changed 7 years ago by Samuel Jackson

Refs #7965 Quest and QLines now load ResNorm properly.

Changeset: c0f833e5f1ff4f0b1e4e9913acee224398947e19

comment:32 Changed 7 years ago by Samuel Jackson

Refs #7965 Updating algorithms to match ResNorm loading.

Changeset: 96ea5a15c506649f56496edd1862b4734fe05855

comment:33 Changed 7 years ago by Samuel Jackson

Merge branch 'feature/7965_update_QLines_ws_format' into develop

Refs #7965

Conflicts:

Code/Mantid/scripts/Inelastic/IndirectBayes.py

Changeset: 065c85300074c9137ab6c4c8563fdabfd9a420b6

comment:34 Changed 7 years ago by Samuel Jackson

Refs #7965 Removing duplicate property from wrapper algorithm.

Changeset: 23dd35043fa30351dfddb7513eef8a12bb46fff0

comment:35 Changed 7 years ago by Samuel Jackson

Refs #7965 Missed fit option on sys test.

Changeset: 6d5f393485784000a762082d44d2343e05faedf7

Changed 7 years ago by Samuel Jackson

Attachment test_Qlines.py added

Script for testing QLines

Changed 7 years ago by Samuel Jackson

Attachment test_Quest.py added

Script for testing Quest

comment:36 Changed 7 years ago by Samuel Jackson

Refs #7965 Added width system test

Also updated ResNorm test.

Changeset: 106ffe4b4f99cc3b10546a6a6ba3e0f6a82d0dd4

comment:37 Changed 7 years ago by Samuel Jackson

Refs #7965 Updated and refactored width reading function.

Changeset: de7dbd29cd8fcf35ed410b9038283488672a0b66

comment:38 Changed 7 years ago by Samuel Jackson

Refs #7965 Swapped Quasi plotting to show correct spectra

Changeset: 98c4bc1674b46f4b0b5da62cd8298966490fb535

comment:39 Changed 7 years ago by Samuel Jackson

Status changed from inprogress to verify
Resolution set to fixed

To Tester

Further work on this ticket was required to swap the way QLines to writes output to the *_Workspace to show Amplitude first and then Width.

I've also added some additional system tests as I found that running with a ResNorm file or a width file was broken.

So, to test you'll need to:

Check the system tests for IndirectBayes are passing.
Test Qlines. I've attached a script based off the system test to help with this. Only the output in the *_Workspace should be different to how it ran before.
Test Quest. As part of updating/fixing QLines I edited some functions which are shared by QLines. Again I've attached a python script to help with this.

QLines uses Fortran code to run so this ticket must be tested on Windows in and built in Release Mode.

This ticket will also require merging in the system tests as well as the main branch.