Ticket #8089 (closed: fixed)

Opened 7 years ago

Last modified 5 years ago

Implement a workflow control algorithm to refine diffractometer profile parameters

Reported by: Wenduo Zhou Owned by: Wenduo Zhou
Priority: major Milestone: Release 3.1
Component: Diffraction Keywords:
Cc: petersonpf@… Blocked By:
Blocking: #7881 Tester: Alex Buts

Description (last modified by Wenduo Zhou) (diff)

Write a workflow control algorithm for refining diffractometer's peak profile parameters. The algorithm should be able to book keep a series of refinement activities.

A system test should be added as this workflow algorithm's test.

Attachments

pg3_bank3_step_b40k.irf​ (1.0 KB) - added by Wenduo Zhou 7 years ago.
PG3_15035-3.dat​ (321.4 KB) - added by Wenduo Zhou 7 years ago.
PG3_15035_BkgdParameters.nxs​ (26.6 KB) - added by Wenduo Zhou 7 years ago.
verify8089_01.py​ (997 bytes) - added by Wenduo Zhou 7 years ago.
verify8089_02.py​ (445 bytes) - added by Wenduo Zhou 7 years ago.

Change History

comment:1 Changed 7 years ago by Wenduo Zhou

  • Status changed from new to inprogress

comment:2 Changed 7 years ago by Wenduo Zhou

Started to implement the algorithm. Refs #8089.

Changeset: 404fadf45f8f50fd8754a52b70a0c48113beedf9

comment:3 Changed 7 years ago by Wenduo Zhou

  • type changed from enhancement to task
  • Component changed from Framework to Diffraction
  • Milestone changed from Backlog to Release 3.1

comment:4 Changed 7 years ago by Wenduo Zhou

  • Description modified (diff)

comment:5 Changed 7 years ago by Wenduo Zhou

Fixed some bugs. Refs #8089.

Changeset: 84763d746139dababd7b037af833fb5fe9eeb850

comment:6 Changed 7 years ago by Wenduo Zhou

Checkpointing work (progress). Refs #8089.

Changeset: 8c1319a7e90b8c6d47e980599322355dc9217502

comment:7 Changed 7 years ago by Wenduo Zhou

Finished the implementation. Refs #8089.

Changeset: 16c6206f7f05d91dfaa418486f142695cd618472

comment:8 Changed 7 years ago by Wenduo Zhou

Expanded system test for seq refine. Refs #8089.

Changeset: ba26c7ff5406745439e80bb9123b2bacdb901a59

comment:9 Changed 7 years ago by Wenduo Zhou

Added system test files. Refs #8089.

Changeset: 3fee40a1b523ad2efda79dfa12b0c18a6e683a5f

comment:10 Changed 7 years ago by Wenduo Zhou

For tester

  1. Download the attached files;
  1. Run verify8089_01.py to set up the sequential refinement; PG3_15035_Init is the data workspace as the output of peak profile calculation of the profile's starting values by Le Bail algorithm. Workspace RecordTest001Table is the table workspace created to record all the profile parameter refinement information. A workspace Test001_Group should be found, in which you can find the workspace generated in sequential refinement;
  1. Run verify8090_02.py to refine Alph0. Workspace PG3_15035_Test001_Step1 should be generated. It shows the calculated diffraction pattern. TableWorkspace PG3_Bank3Test001_Step1 contains the refined parameters.
  1. You can refine other parameters sequentially. You can pick up any parameters from Alph0, Alph1, Alph1t, Alph0t, Beta0, Beta0t, Beta1, Beta1t, Sig0, Sig1 and Sig2.
  1. You can set FromStep to an earlier step other than the last one.
  1. You can save the project and load it back.
Last edited 7 years ago by Wenduo Zhou (previous) (diff)

comment:11 Changed 7 years ago by Wenduo Zhou

Added property ProjectID. Refs #8089.

Changeset: 348bcc1434d45f792752b937c2aaabf30333e209

comment:12 Changed 7 years ago by Wenduo Zhou

Updated system test due to change in property. Refs #8089.

Changeset: 852c28910459d6f9445367e59917febca8a27df5

Changed 7 years ago by Wenduo Zhou

Changed 7 years ago by Wenduo Zhou

Changed 7 years ago by Wenduo Zhou

Changed 7 years ago by Wenduo Zhou

Changed 7 years ago by Wenduo Zhou

comment:13 Changed 7 years ago by Wenduo Zhou

Correted some typos. Refs #8089.

Changeset: 721dd245a0e6b25feec3dbea637510b1c1f7313b

comment:14 Changed 7 years ago by Wenduo Zhou

Updated due typo correction. Refs #8089.

Changeset: 4a5263db69c299cf7561962053c368087bbfd9fe

comment:15 Changed 7 years ago by Wenduo Zhou

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

comment:16 Changed 7 years ago by Alex Buts

  • Status changed from verify to reopened
  • Resolution fixed deleted

Minor change to ICat virtual interface but otherwise looks fine to me

comment:17 Changed 7 years ago by Alex Buts

  • Owner changed from Wenduo Zhou to Alex Buts
  • Status changed from reopened to verify
  • Resolution set to fixed

Sorry -- wrong comment to wrong ticket intended to another window

Wenduo, Could you please re-accept and fix your ticket. I was intended to test it.

Last edited 7 years ago by Alex Buts (previous) (diff)

comment:18 Changed 7 years ago by Wenduo Zhou

  • Status changed from verify to reopened
  • Resolution fixed deleted

comment:19 Changed 7 years ago by Wenduo Zhou

  • Status changed from reopened to verify
  • Owner changed from Alex Buts to Wenduo Zhou
  • Resolution set to fixed

comment:20 Changed 7 years ago by Alex Buts

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

comment:21 Changed 7 years ago by Alex Buts

refs #8089 Fixed inconsistent indents in system test (to all spaces)

this was creates problem in running/analyzing it

Changeset: 0c6801b771b43330e1d8f221a1ed5f5940d3dd8d

comment:22 Changed 7 years ago by Alex Buts

  • Status changed from verifying to reopened
  • Resolution fixed deleted

Code has mixed tabs and spaces as well so I can not analyse it properly.

When it was trivial to fix system tests, the code is not trivial -- multiple nested if-s can not be fixed automatically.

Please, use spaces only (or tabs I do not remember what is the agreement)

comment:23 Changed 7 years ago by Wenduo Zhou

  • Status changed from reopened to inprogress

Removed tab. Refs #8089.

Changeset: 768219c8bf68dc8af925f557256b2e1e29794abb

comment:24 Changed 7 years ago by Wenduo Zhou

Removed tabs. Refs #8089.

Changeset: 47a75daf9fd6571662f8001ce9d5e5fcf4bf423a

comment:25 Changed 7 years ago by Wenduo Zhou

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

comment:26 Changed 7 years ago by Alex Buts

  • Status changed from verify to verifying

comment:27 Changed 7 years ago by Alex Buts

  • Status changed from verifying to closed

I spent huge time trying to understand what is going on in this piece of code. My thoughts of what should be done to remedy this for an follower are expressed in #8995. Otherwise, the code implemented for this ticket seems does what is advertised to do, so I do not see reason for failing a blocker ticket.

comment:28 Changed 7 years ago by Alex Buts

Merge remote-tracking branch 'origin/feature/8089_seq_fit_lebail'

Full changeset: ​3a7003d93ada5e6ef5c098e4b65f494abe56b99d

comment:29 Changed 7 years ago by Alex Buts

Merge remote-tracking branch 'origin/feature/8089_seq_fit_lebail'

Full changeset: ​d954fbede4f243bbe92263577bd7dba68e951630

comment:30 Changed 7 years ago by Alex Buts

Merge remote-tracking branch 'remotes/origin/feature/8089_seq_fit_lebail'

Full changeset: ​c1028b2a0daa35a47a63b2e26db3ad96c2df0fb7

comment:31 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue ​8934

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