Ticket #8585 (closed: fixed)

Opened 7 years ago

Last modified 5 years ago

[Indirect] Output of EISF from fitting routines

Reported by: Samuel Jackson Owned by: Samuel Jackson
Priority: major Milestone: Release 3.1
Component: Indirect Inelastic Keywords:
Cc: Blocked By:
Blocking: #8347 Tester: Alex Buts

Description

Ticket request from Spencer:

Output of EISF from fitting routines This is defined as the ratio of elastic amplitude to total (elastic plus quasielastic).

ConvFit - this should be trivial In proc confitParsToWS, add extra member Height to the line

if re.search('HWHM$', yAxis) or re.search('Amplitude$', yAxis) or re.search('Height$', yAxis):

this should create an extra histogram in the WS *_Workspace

Quasi - A bit more complicated In proc C2Fw : lines 474-75 increase range to 9; lines 483-490 adds the elastic amplitude; lines 505-9 adds the extra data to WS. Proc eisf, lines 516-532 is new (could be tidied up). Proc QLrun, add lines 350-1 to run eisf. Lines 382-6 saves the WS.

Attachments

IndirectBayes.py (29.0 KB) - added by Samuel Jackson 7 years ago.
Updated version of IndirectBayes

Change History

Changed 7 years ago by Samuel Jackson

Updated version of IndirectBayes

comment:1 Changed 7 years ago by Samuel Jackson

  • Status changed from new to inprogress

Refs #8585 Output height parameter from ConvFit.

Changeset: 415d531717a854da43fe916b17e349ca87e8cff8

comment:2 Changed 7 years ago by Samuel Jackson

Refs #8585 Update ConvFit to output Height parameter.

Changeset: 4eb4684ca1c8e8675901871e7f0b02b18d0bedfb

comment:3 Changed 7 years ago by Samuel Jackson

Refs #8585 Update C2Fw to support height.

Changeset: 721e122f3082eba59d0fe9f0b4ee296b1b4c5e8c

comment:4 Changed 7 years ago by Samuel Jackson

Refs #8585 Update QLines to output height parameter.

Changeset: a49efb3d41c904b1f9b81ddcdd96ee4c808641b9

comment:5 Changed 7 years ago by Samuel Jackson

Refs #8585 Fix y axis names and x data.

Changeset: 6d6e254f9be6e22177ec03927739a2f30e8ebf0d

comment:6 Changed 7 years ago by Samuel Jackson

Refs #8585 Add more intelligent spectrum selection process to JumpFit

Changeset: 12523c44fcd4c106fc20af5577fac258010c43ba

comment:7 Changed 7 years ago by Samuel Jackson

Refs #8585 Remove debugging statement

Changeset: 187c15387310828429edfb8a6a2c3e66f732220a

comment:8 Changed 7 years ago by Samuel Jackson

Refs #8585 Fix output of QLines for sequential fit.

Changeset: bc16e9e23fbc2ac87469520caae5421bcce35da3

comment:9 Changed 7 years ago by Samuel Jackson

Refs #8585 Update miniplot with correct spectrum.

Changeset: 6f4deff5140b1f71eb0bbd556b46c63c5d8eb28c

comment:10 Changed 7 years ago by Samuel Jackson

  • Milestone changed from Backlog to Release 3.1

comment:11 Changed 7 years ago by Samuel Jackson

Refs #8585 Better formatting on combobox

Changeset: 1a79be1bc56b1d1d374aa92c88cbec51409abb08

comment:12 Changed 7 years ago by Samuel Jackson

Merge branch 'feature/8585_EISF_output_from_fitting' into develop

Conflicts:

Code/Mantid/scripts/Inelastic/IndirectBayes.py

Refs #8585

Changeset: 1afb3a8c1503ec4b9feff2697e3c406176d29832

comment:13 Changed 7 years ago by Samuel Jackson

Refs #8585 Remove default width options from interface

Changeset: acd58784aff47672cc3dcc99cdce6d7cf0e413ff

comment:14 Changed 7 years ago by Samuel Jackson

Refs #8585 Add extra check to prevent plotting.

Also remove warning due to integer casting.

Changeset: 8a787f6989642d0804a3586f9806d2285874aa85

comment:15 Changed 7 years ago by Samuel Jackson

Refs #8585 Fix compiler warning.

Changeset: 0b144780e108f4d75bd74af50619944fc71e76cb

comment:16 Changed 7 years ago by Samuel Jackson

refs #8585 Corrected x data for histograms.

Changeset: 54faf7d470a192627388367694c57ee1dedfe340

comment:17 Changed 7 years ago by Samuel Jackson

Refs #8585 Changed plotting functions to work with new spectrum order.

Changeset: f2e736018a299a0173e4804ce2cf141b20e35c4c

comment:18 Changed 7 years ago by Samuel Jackson

Refs #8585 Update interface with correct plot options.

Changeset: 2a743425cf0db4761496ea458d43adde3bad13f7

comment:19 Changed 7 years ago by Samuel Jackson

Refs #8585 Changed height parameter to only be output once.

Changeset: b08aa94cdcad94f507aa64024d84a3a9cd568ec8

comment:20 Changed 7 years ago by Samuel Jackson

Refs #8585 Refactor QLines QL file reading.

Changeset: c22aa5a8b779839fb6193b519e2fe80501662a96

comment:21 Changed 7 years ago by Samuel Jackson

Refs #8585 JumpFit should only list the first three widths.

Also swapped index function names from of Quasi output to be consistent with ConvFit and updated plotting indicies.

Changeset: 67986c3939803691c3770e93c3aaa572dbe81b9e

comment:22 Changed 7 years ago by Samuel Jackson

To Tester:

The output of both ConvFit in Indirect Data Analysis and Quasi in Indirect Bayes have been modified and will require testing. Additionally, because the output of both of these functions can be passed to JumpFit, it to will also need testing.

Note that this ticket will need to be tested on Windows and built in Release Mode.

Testing ConvFit

Testing Quasi

  • Use an indirect data file and a resolution file for input (e.g. irs26176 and irs26173 from the system tests)
  • Ensure the program selected is QL.
  • Ensure 'sequential fit' is ticked.
  • Run the fitting and open the *_Workspace that is produced.
  • Check that an additional height parameter is output for every function (e.g. f1.f0.Height, f2.f0.Height etc.).

Testing JumpFit

Using the *_Workspace produced by running ConvFit/Quasi, supply them as input to the JumpFit tab on the Indirect Bayes interface.

  • Check that the width when using the output of Quasi only displays the first 3 width parameters (f1.f1, f2.f1 and f2.f2)
  • Using the output from ConvFit should not allow you to select a width.

Additionally:

  • Check that the system tests are passing.
  • Check that the format of the text axis on the *_Workspace output from ConvFit and Quasi is consistent.
  • Code review to check changes are appropriate.

comment:23 Changed 7 years ago by Samuel Jackson

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

comment:24 Changed 7 years ago by Samuel Jackson

  • Blocking 8347 added

(In #8347) It would be best to test and merge #8585 before this testing ticket as changes have been made to both Quasi, ConvFit and JumpFit that could effect this ticket.

comment:25 Changed 7 years ago by Samuel Jackson

  • Status changed from verify to reopened
  • Resolution fixed deleted

comment:26 Changed 7 years ago by Samuel Jackson

  • Status changed from reopened to inprogress

Refs #8585 Change ConvFit to work with height and output EISF.

Changeset: 010fea1f5c2e626f098cfa64133dbfe9412eb85b

comment:27 Changed 7 years ago by Samuel Jackson

Refs #8585 Adding support for EISF output from Quasi.

Changeset: 3b95e4432593770fd25431a6232d2eafbff8d6df

comment:28 Changed 7 years ago by Samuel Jackson

Refs #8585 Tidying up.

Changeset: 7ebb0002c821ff8154537a4fb980f051253ba75a

comment:29 Changed 7 years ago by Samuel Jackson

Refs #8585 Updated plotting options.

Quasi should now automatically detect which spectra contains the data it needs to plot.

Changeset: e6e59fd9f935c43b9098c2214d07663885f6e35e

comment:30 Changed 7 years ago by Samuel Jackson

Refs #8585 Skip attempting to plot if Plot option not set.

Changeset: 971480ff6a9d22dfc7603cee94d80e9303a9f685

comment:31 Changed 7 years ago by Samuel Jackson

Refs #8585 Implement correct error calculations.

Changeset: 274b00f7c8abf3ab1df86fd3ae09f729a5f5d494

comment:32 Changed 7 years ago by Samuel Jackson

To Tester:

Follow the instructions in comment 22 and additionally:

  • Check that an extra entry called EISF is added for every width/amplitude pair in Quasi and ConvFit.
    • This should be: height / (height+amplitude)

comment:33 Changed 7 years ago by Samuel Jackson

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

comment:34 Changed 7 years ago by Samuel Jackson

Merge branch 'feature/8585_EISF_output_from_fitting' into develop

Conflicts:

Code/Mantid/scripts/Inelastic/IndirectBayes.py

Refs #8585

Changeset: 1afb3a8c1503ec4b9feff2697e3c406176d29832

comment:35 Changed 7 years ago by Alex Buts

  • Status changed from verify to verifying
  • Tester set to Alex Buts

comment:36 Changed 7 years ago by Samuel Jackson

  • Status changed from verifying to closed

Merge branch 'feature/8585_EISF_output_from_fitting' of github.com:mantidproject/mantid into feature/8585_EISF_output_from_fitting

Full changeset: a0d7d198db7a529e48322550bc175628b1855fb6

comment:37 Changed 7 years ago by Samuel Jackson

Merge branch 'feature/8585_EISF_output_from_fitting' of github.com:mantidproject/mantid into feature/8585_EISF_output_from_fitting

Full changeset: 31a34c291b4862644025c27a53be303f0dc00846

comment:38 Changed 7 years ago by Alex Buts

Merge remote-tracking branch 'origin/feature/8585_EISF_output_from_fitting'

Full changeset: 82be1a1e0709214863975c1dc024058f89c1428f

comment:39 Changed 7 years ago by Alex Buts

All seems work as described. Tests pass and changes to python look good.

Problem identified during the testing are in the ticket #8770.

comment:40 Changed 7 years ago by Nick Draper

  • Component changed from Framework to Indirect Inelastic

comment:41 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue 9429

Note: See TracTickets for help on using tickets.