Ticket #9340 (closed: fixed)

Opened 6 years ago

Last modified 5 years ago

Apply scattering cross sections in DensityOfStates

Reported by: Samuel Jackson Owned by: Dan Nixon
Priority: major Milestone: Release 3.3
Component: Indirect Inelastic Keywords:
Cc: Blocked By:
Blocking: Tester:

Description (last modified by Dan Nixon) (diff)

This ticket will deal with adding an option to calculate the scattering cross section of ion and multiply the partial contribution by it.

Change History

comment:1 Changed 6 years ago by Samuel Jackson

  • Description modified (diff)

comment:2 Changed 6 years ago by Nick Draper

  • Owner changed from Samuel Jackson to Dan Nixon

comment:3 Changed 6 years ago by Dan Nixon

  • Status changed from new to assigned

comment:4 Changed 6 years ago by Dan Nixon

  • Milestone changed from Backlog to Release 3.3

comment:5 Changed 6 years ago by Dan Nixon

  • Status changed from assigned to inprogress

Replace DoS indentation with spaces

Refs #9340

Changeset: c1ea775de7109d7803e74ad2c3be4a12f1a259b2

comment:6 Changed 6 years ago by Dan Nixon

More Pylint fixes in DoS

Refs #9340

Changeset: 34def9b0850c4a1d27e910cefd9c939c6724e465

comment:7 Changed 6 years ago by Dan Nixon

Set sample material for partial DoS workspaces

Refs #9340

Changeset: 61a1751ad529a4e99839dfda6ba1d6d26ba78759

comment:8 Changed 6 years ago by Dan Nixon

(testing instructions added to wrong ticket)

Last edited 6 years ago by Dan Nixon (previous) (diff)

comment:9 Changed 6 years ago by Dan Nixon

Add options for cross section scaling and summing to DoS

Refs #9340

Changeset: dc9c40165cc025e1fb50312839103c01f9114041

comment:10 Changed 6 years ago by Dan Nixon

Added input validation

Refs #9340

Changeset: c61a0432bcc251b8006c619f31042011032ca9bb

comment:11 Changed 6 years ago by Dan Nixon

  • Blocked By 10534 added

comment:12 Changed 6 years ago by Dan Nixon

Updated DensityOfStates doc tests

The addition of CheckSpectraMap should be temporary

Refs #9340

Changeset: c8251108b5681a816fc08ee83f866d8e1e2c2260

comment:13 Changed 6 years ago by Dan Nixon

  • Blocked By 10534 removed

comment:14 Changed 6 years ago by Dan Nixon

Fixed doc test, added more unit tests

Fixed fault where eigenvectors were not parsed when they were needed

Refs #9340

Changeset: 68c743ee7a09e013f922b228e94138dba9fd58f0

comment:15 Changed 6 years ago by Dan Nixon

Keep conventional summed WS name

More logical and will fix system tests

Refs #9340

Changeset: e65f6cd442dab285d4c0ef621c5395bbe66ef4a3

comment:16 Changed 6 years ago by Dan Nixon

  • Description modified (diff)

comment:17 Changed 6 years ago by Dan Nixon

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

Note there are system tests changes with this ticket: ​https://github.com/mantidproject/systemtests/tree/feature/9340_dos_scattering_cross_sections

To test:

  • Run the DOSTest system test
  • Open the DensityOfStates algorithm
  • Select file AutoTestData/UsageData/squaricn.phonon
  • Enter ions H, C, O
  • Run, plot the result workspace group
  • Select ScaleByCrossSection = Incoherent
  • Run, notice the difference in the plots
  • Try the other options for ScaleByCrossSections, you should notice a difference in the plots.

(optional) Have a look at the sample material UI for each of the H, C and O workspaces, the scattering cross section explains why the carbon and oxygen contributions are negligible compared to hydrogen.

Last edited 6 years ago by Dan Nixon (previous) (diff)

comment:18 Changed 6 years ago by Dan Nixon

  • Description modified (diff)

comment:19 Changed 6 years ago by Dan Nixon

  • Status changed from verify to reopened
  • Resolution fixed deleted

comment:20 Changed 6 years ago by Dan Nixon

  • Status changed from reopened to inprogress

Added new DOS system tests

Refs #9340

Changeset: 4a667fc34776307b72762320dac1ec90a6c53955

comment:21 Changed 6 years ago by Dan Nixon

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

comment:22 Changed 6 years ago by Dan Nixon

  • Status changed from verify to reopened
  • Resolution fixed deleted

comment:23 Changed 6 years ago by Dan Nixon

  • Status changed from reopened to inprogress

Modify system tests for algorithm updates

Refs #9340

Changeset: 1159b44c86e5a94711daef918d338e053dfaab87

comment:24 Changed 6 years ago by Dan Nixon

Allow selection of any scattering cross section

Refs #9340

Changeset: 024e0ed3fed1256fa87e742b87e1fc328397e0d4

comment:25 Changed 6 years ago by Dan Nixon

Correct failing unit test

Refs #9340

Changeset: d811a5d88108adbeb3f39125b899d52c38b3080b

comment:26 Changed 6 years ago by Dan Nixon

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

comment:27 Changed 6 years ago by Harry Jeffery

  • Status changed from verify to closed

Merge remote-tracking branch 'origin/feature/9340_dos_scattering_cross_sections'

Full changeset: ​3e0c009627638ef072e4a5494357f9794a12ce7f

comment:28 Changed 6 years ago by Harry Jeffery

Merge remote-tracking branch 'origin/feature/9340_dos_scattering_cross_sections'

Full changeset: ​fbcff021d112754842da760fbcd69a51870e542e

comment:29 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue ​10183

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