Ticket #10391 (closed: fixed)
Indirect MolDyn algorithm
| Reported by: | Dan Nixon | Owned by: | Dan Nixon |
|---|---|---|---|
| Priority: | major | Milestone: | Release 3.3 |
| Component: | Indirect Inelastic | Keywords: | |
| Cc: | spencer.howells@… | Blocked By: | #7860 |
| Blocking: | Tester: | Harry Jeffery |
Description
Spencer has provided code to convolve an instrument resolution with a simulation imported via MolDyn.
This would also be a good time to move the routine to a Python algorithm.
Change History
comment:3 Changed 6 years ago by Dan Nixon
- Status changed from assigned to inprogress
Initial MolDyn algorithm, work in progress
Refs #10391
Changeset: 7835b1d68382e5edf6d74bf17ab5913bd28ef629
comment:4 Changed 6 years ago by Dan Nixon
More refactoring, plotting works properly
Refs #10391
Changeset: fbf0e9e6bb0f880e246e1b81c5670a0ff9df5ed0
comment:5 Changed 6 years ago by Dan Nixon
Added docs for MolDyn, more refactoring
Refs #10391
Changeset: b7ba7f6f82ba21c739df240b408e82e63ce38eaa
comment:6 Changed 6 years ago by Dan Nixon
Merge branch 'feature/7860_indirect_symmetrise' into feature/10391_moldyn_algorithm
Refs #10391
Changeset: 0ea996a1816eecfd62f7807e02407885aef71889
comment:7 Changed 6 years ago by Dan Nixon
Remove old file, fiting sort of working
Refs #10391
Changeset: 9d18c3340b24aae19549a21f54181783cca845a6
comment:10 Changed 6 years ago by Dan Nixon
Added better resolution file support and logging
Refs #10391
Changeset: 796b9a53628a38709b06326536a9cf38f597b9be
comment:11 Changed 6 years ago by Dan Nixon
Made it possible to convolve multiple functions
Refs #10391
Changeset: c072250e82f4965163bd0374b9fdb30e7e123461
comment:12 Changed 6 years ago by Dan Nixon
Move Simlation MolDyn to new algorithm
Refs #10391
Changeset: 2617575420bc9ded95572058ae466f172dcc3ab0
comment:13 Changed 6 years ago by Dan Nixon
Ignore workspaces that are not Sqw in convolution
Logging depends more on verbose option
Refs #10391
Changeset: 15ec1d2c2a69deca96658cfb257b0e3bbd30423c
comment:14 Changed 6 years ago by Dan Nixon
comment:15 Changed 6 years ago by Dan Nixon
comment:16 Changed 6 years ago by Dan Nixon
comment:17 Changed 6 years ago by Dan Nixon
comment:18 Changed 6 years ago by Dan Nixon
Allow energy crop without convolution
Refs #10391
Changeset: 3620ca8b9c6b5abad4d0349c61d2e26d422f47f3
comment:19 Changed 6 years ago by Dan Nixon
Modified system test for new MolDyn algorithm
Seperate general Ascii laoder tests from simulation specific loader tests
Refs #10391
Changeset: 7e1e61266f50a01ab522d511dd55406d753f52e9
comment:20 Changed 6 years ago by Dan Nixon
comment:21 Changed 6 years ago by Dan Nixon
comment:22 Changed 6 years ago by Dan Nixon
Fic validation when using resolution
Refs #10391
Changeset: 3bb2ccebd6e91a81935174739a27143b5dde2628
comment:24 Changed 6 years ago by Dan Nixon
Merge branch 'feature/10391_moldyn_algorithm' into feature/10443_sassena_indirect_simulation_tab
Refs #10391
Changeset: 3084fcf8e0ab0e9f146c8d9ebbbe52fc6981e04e
comment:25 Changed 6 years ago by Dan Nixon
- Blocking 10443 removed
(In #10443) If making IndirectSimulationTab inherit from IndirectTab whatever was done here is irrelevant.
comment:26 Changed 6 years ago by Dan Nixon
comment:27 Changed 6 years ago by Dan Nixon
Merge branch 'master' into feature/10391_moldyn_algorithm
Refs #10391
Changeset: 2f3d4b5363a3d00afc49748e72b91d66cd3ff8cd
comment:28 Changed 6 years ago by Dan Nixon
Give UI more reasonable default values
Refs #10391
Changeset: 458a458ea5ff0049059a4beeaa8948ea59fefd1a
comment:29 Changed 6 years ago by Dan Nixon
comment:30 Changed 6 years ago by Dan Nixon
Note there are changes to systemtests with this ticket: https://github.com/mantidproject/systemtests/compare/feature/10391_moldyn_algorithm
To test:
- Open Indirect > Simulation > MolDyn
- Load sample run DISF_NaF.cdl (from systemtests)
- Specify functions: Fqt-total, Sqw-total
- Select Plot: Spectra
- Run
- Sqw plot should be cropped to 10 meV, try changing the value and running again
- Load irs26173_graphite002_res.nxs (from systemtests)
- Enable and select workspace in Instrument Resolution
- Sqw from MolDyn will be convoluted with resolution curve and made symmetrical about X=0
- Also check unit (MolDynTest), system (MolDynCdlTest, MolDynDatTest) and doc (MolDyn) tests
comment:31 Changed 6 years ago by Dan Nixon
- Status changed from inprogress to verify
- Resolution set to fixed
comment:32 Changed 6 years ago by Harry Jeffery
- Status changed from verify to verifying
- Tester set to Harry Jeffery
comment:33 Changed 6 years ago by Dan Nixon
- Status changed from verifying to closed
Merge branch 'feature/7860_indirect_symmetrise' into feature/10391_moldyn_algorithm
Refs #10391
Full changeset: 0ea996a1816eecfd62f7807e02407885aef71889
comment:34 Changed 6 years ago by Dan Nixon
Merge branch 'master' into feature/10391_moldyn_algorithm
Refs #10391
Full changeset: 2f3d4b5363a3d00afc49748e72b91d66cd3ff8cd
comment:35 Changed 6 years ago by Harry Jeffery
Merge remote-tracking branch 'origin/feature/10391_moldyn_algorithm'
Full changeset: 77136d9497718fc68786d470f178efd5c59876ae
comment:36 Changed 6 years ago by Harry Jeffery
Merge remote-tracking branch 'origin/feature/10391_moldyn_algorithm'
Full changeset: 940d40ee78cb8ad09a849b84da7d5e83ffbc3d1b
comment:37 Changed 5 years ago by Stuart Campbell
This ticket has been transferred to github issue 11233
