Ticket #10782 (closed: fixed)

Opened 6 years ago

Last modified 5 years ago

Allow DensityOfStates to output a table workspace of all ions in file

Reported by: Dan Nixon Owned by: Dan Nixon
Priority: major Milestone: Release 3.4
Component: Indirect Inelastic Keywords:
Cc: Blocked By:
Blocking: #10298 Tester: Harry Jeffery

Description

This will be used by the GUI to give the user an option of which ions they want in a partial DoS.

There should be an option to just run this step (just parsing the header) without calculating a DoS.

Change History

comment:1 Changed 6 years ago by Dan Nixon

  • Blocking 10298 added

comment:2 Changed 6 years ago by Dan Nixon

  • Status changed from new to assigned

comment:3 Changed 6 years ago by Dan Nixon

  • Status changed from assigned to inprogress

Added option to output all ions to table workspace

Refs #10782

Changeset: ea101070defa45403fdb50e1710587c099549e44

comment:4 Changed 6 years ago by Dan Nixon

Better validation, add count of modes

Refs #10782

Changeset: cc9299f5656a87be025cbf1c08ff91c5ffcc4a89

comment:5 Changed 6 years ago by Dan Nixon

Add unit tests for ion table output

Refs #10782

Changeset: 5a802f7b375d18ac806241d9d3531cf4ecc3357a

comment:6 Changed 6 years ago by Dan Nixon

PyLint fixes and new docs

Refs #10782

Changeset: 51998cdf17d029b1656cfe3e080f92cb1bae4777

comment:7 Changed 6 years ago by Dan Nixon

To test:

  • Check unit test is passing
  • Open DensityOfStates algorithm
  • File: UsageData/squaricn.phonon
  • SpectrumType: IonTable
  • Run

Should give a table listing:

  • H (4)
  • C (8)
  • O (8)

comment:8 Changed 6 years ago by Dan Nixon

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

comment:9 Changed 6 years ago by Harry Jeffery

  • Status changed from verify to verifying
  • Tester set to Harry Jeffery

comment:10 Changed 6 years ago by Harry Jeffery

  • Status changed from verifying to closed

Merge remote-tracking branch 'origin/feature/10782_dos_output_ion_table'

Full changeset: 839837bd8c39acfd1467b8ceb27ac9c5010d38df

comment:11 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue 11624

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