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Ticket #7966 (closed: fixed)

Opened 7 years ago

Last modified 5 years ago

[Bayes] Jumpfit - replace Bayes fortran fitting program with Fit algorithm

Reported by:	Samuel Jackson	Owned by:	Samuel Jackson
Priority:	major	Milestone:	Release 3.0
Component:	Indirect Inelastic	Keywords:
Cc:	spencer.howells@…	Blocked By:	#7926, #7965
Blocking:	#5421	Tester:	Vickie Lynch

Description

New ticket from Spencer. Again this is to do with updating the Bayes scripts:

IndirectBayes.py

The routine JumpRun has been changed to use the Fit algorithm.

JumpFit

The output from the QLines program has been changed so that the fit >parameters are in WS *_Workspace. The output from ConvFit is also in WS *_Workspace. Programs SSfit & CEfit have been removed from the import section.

Testing

Use the file irs26176_graphite002_QLr_Workspace.nxs.

JumpConvFit This is a new Py alg which uses as input the results from ConvFit. The fitting routine is the same as JumpFit.

Testing

Use the file irs26176_graphite002_conv_1LFitF_s0_to_16_Workspace.nxs.

When verified, the Fortran programs SSfit_win*.pyd & CEfit_win*.pyd can be removed from the system.

Attachments

IndirectBayes.py (28.6 KB) - added by Samuel Jackson 7 years ago.: Updated version of IndirectBayes
JumpFit.py (3.8 KB) - added by Samuel Jackson 7 years ago.: Updated version of JumpFit wrapper algorithm
JumpConvFit.py (3.8 KB) - added by Samuel Jackson 7 years ago.: New JumpConvFit wrapper algorithm (for use with testing)
irs26176_graphite002_conv_1LFitF_s0_to_16_Workspace.nxs (34.1 KB) - added by Samuel Jackson 7 years ago.: Reference result for JumpConvFit
irs26176_graphite002_QLr_Workspace.nxs (55.8 KB) - added by Samuel Jackson 7 years ago.: Reference result for JumpFit
irs26176_graphite002_conv_1LFitF_s0_to_16_Workspace.2.nxs (43.9 KB) - added by Samuel Jackson 7 years ago.: Reference result for JumpConvFit
test_JumpFit.py (321 bytes) - added by Samuel Jackson 7 years ago.: Testing script for JumpFit

Change History

Changed 7 years ago by Samuel Jackson

Attachment IndirectBayes.py added

Updated version of IndirectBayes

Changed 7 years ago by Samuel Jackson

Attachment JumpFit.py added

Updated version of JumpFit wrapper algorithm

Changed 7 years ago by Samuel Jackson

Attachment JumpConvFit.py added

New JumpConvFit wrapper algorithm (for use with testing)

Changed 7 years ago by Samuel Jackson

Attachment irs26176_graphite002_conv_1LFitF_s0_to_16_Workspace.nxs added

Reference result for JumpConvFit

Changed 7 years ago by Samuel Jackson

Attachment irs26176_graphite002_QLr_Workspace.nxs added

Reference result for JumpFit

comment:1 Changed 7 years ago by Samuel Jackson

Status changed from new to inprogress

Refs #7966 Swapping JumpFit to use fit parameters from workspace.

Changeset: 7b34145e83ba0ec000329dd66a412d6aa1b4d54a

comment:2 Changed 7 years ago by Samuel Jackson

Refs #7966 Updated JumpFit to use Fit algorithm.

Changeset: 45e473bc3ce3ee1e2cf8a9c76d14fa5e5dc899c1

comment:3 Changed 7 years ago by Samuel Jackson

Refs #7966 Add new JumpConvFit algorithm to Mantid.

Changeset: 567aeaac30de4537619b8fae2819bf0c4314e4f4

comment:4 Changed 7 years ago by Samuel Jackson

Refs #7966 Moved JumpFit to separate file to avoid Fortran error.

Changeset: c1a9ed200a3bd6ed62a18fd0885d39f17cfd96f3

comment:5 Changed 7 years ago by Samuel Jackson

Refs #7966 Fixed import in JumpConvFit.

Changeset: def9da568e1d35a7884b8164130e35a00c58e9f6

comment:6 Changed 7 years ago by Samuel Jackson

Refs #7966 Fixed one last import

Changeset: b465d206129943c436773e250237412f203c19c9

comment:7 Changed 7 years ago by Samuel Jackson

Blocked By 7926 added

comment:8 Changed 7 years ago by Samuel Jackson

Refs #7966 Update JumpFit to accept workspace file.

Changeset: 7f0889792e60e00cf6179293e7fd539143885a60

comment:9 Changed 7 years ago by Samuel Jackson

Refs #7966 Updating JumpConvFit to work with new workspace.

Changeset: 7977654d027be23b92d798faafd6274cf8b3a306

comment:10 Changed 7 years ago by Samuel Jackson

Refs #7966 Move JumpFit imports into PyExec.

Changeset: 231d550885bbe008265922af115340d1fcd07e24

comment:11 Changed 7 years ago by Samuel Jackson

Refs #7966 Updated JumpFit system test.

Changeset: 22b29c2f824afc7b41346f4bcb15359ce48fdec4

Changed 7 years ago by Samuel Jackson

Attachment irs26176_graphite002_conv_1LFitF_s0_to_16_Workspace.2.nxs added

Reference result for JumpConvFit

comment:12 Changed 7 years ago by Samuel Jackson

Refs #7966 Corrected spectrum index.

Changeset: fe29a257ff5ad87c0f07f42d078fecf403ac1045

comment:13 Changed 7 years ago by Samuel Jackson

To Tester

This ticket should be tested after tickets #7926, #7965 have been verified as this program takes output *_Workspace from running QLines or a sequential ConvFit as input.

There is a QLines *_Workspace in the system tests you can use for testing. ConvFit output can be created by following the instructions here:

http://www.mantidproject.org/Indirect:Indirect_Data_Analysis#Running_ConvFit

Just check that it works and that the system tests are passing. I've attached a testing script that you can use to run the routine and play with the parameters.

The system tests have also been updated for this ticket so you'll need to merge the corresponding branch in the system tests into master at the same time as verifying this ticket.

Last edited 7 years ago by Samuel Jackson (previous) (diff)