Ticket #6316 (closed: fixed)

Opened 8 years ago

Last modified 5 years ago

Implement function for fitting of VESUVIO data

Reported by: Martyn Gigg Owned by: Martyn Gigg
Priority: critical Milestone: Release 2.4
Component: Mantid Keywords:
Cc: Blocked By:
Blocking: Tester: Nick Draper

Description

This is very specialized function for Neutron Compton Scattering and is described ​here

Note that it does the convolution of the simple instrument resolution with the voigt approximation + background internally for speed and better accuracy than the FFT method.

Change History

comment:1 Changed 8 years ago by Martyn Gigg

  • Status changed from new to accepted

comment:2 Changed 8 years ago by Martyn Gigg

First cut at VESUVIO fitting function. Refs #6316

Changeset: b683c6bee2a5224169f3726682f1f29293733873

comment:3 Changed 8 years ago by Martyn Gigg

NCSCountRate has the correct parameters. Refs #6316

Changeset: 26679ae29dfa13ada49dafac2c3115b9bfb563e5

comment:4 Changed 8 years ago by Martyn Gigg

Add HermitePolynomials helper functions. Refs #6316

Changeset: 0fdb530a16cce8efd709a0237a9695faf09e8dff

comment:5 Changed 8 years ago by Martyn Gigg

Add neutron mass in AMU to physical constants. Refs #6316

Changeset: 3bce7836057fc551475eecea4881d77a3826fea0

comment:6 Changed 8 years ago by Martyn Gigg

Very rough cut of neutron count rate function. Refs #6316

Changeset: f74d398ee75e6dd8f07e5113d3523e41aa10b0a9

comment:7 Changed 8 years ago by Martyn Gigg

First cut at VESUVIO fitting function. Refs #6316

Changeset: 36136f8c49a7ad2225be6a19cd70c8b235864c11

comment:8 Changed 8 years ago by Martyn Gigg

NCSCountRate has the correct parameters. Refs #6316

Changeset: f37c099939d89652b55c15dc724388738548d89f

comment:9 Changed 8 years ago by Martyn Gigg

Add HermitePolynomials helper functions. Refs #6316

Changeset: ce0c360c511e598f5b3dc62b02375c98d901a5cb

comment:10 Changed 8 years ago by Martyn Gigg

Add neutron mass in AMU to physical constants. Refs #6316

Changeset: 2cbb638adfc18d15e3409d22fe085c4ef173ffbd

comment:11 Changed 8 years ago by Martyn Gigg

Very rough cut of neutron count rate function. Refs #6316

Changeset: 80aebb6e79de1b530e3811afd8d83a0910b395aa

comment:12 Changed 8 years ago by Martyn Gigg

Runs without crashing. Refs #6316

Changeset: fd432b86221dcb61d0b214f68b46a2e76ef4e673

comment:13 Changed 8 years ago by Martyn Gigg

Added separate Compton profile functions. Refs #6316

These will replace NCSCountRate as they are more fleixble and they isolate the code more effectively. It also allows a new profile to be used without too much effort.

Changeset: d568a5beba94b08e113d380ea2cee3138cc572cc

comment:14 Changed 8 years ago by Martyn Gigg

Debugging NCSCountRate Refs #6316.

Changeset: 93d6017e2aa69f506daf50bb9b8b4da351686127

comment:15 Changed 8 years ago by Martyn Gigg

First cut at VESUVIO fitting function. Refs #6316

Changeset: 5645951b40f56d795f057daaf4da21b811532dcc

comment:16 Changed 8 years ago by Martyn Gigg

Add HermitePolynomials helper functions. Refs #6316

Changeset: ca214e23a82261c0d2bcbd2c485780f460e3f319

comment:17 Changed 8 years ago by Martyn Gigg

Add neutron mass in AMU to physical constants. Refs #6316

Changeset: 18b76ed1691f94f1f065575f72b942648a721723

comment:18 Changed 8 years ago by Martyn Gigg

NeutronCountRate fit runs without crashing. Refs #6316

Changeset: 5d4d259992f30ae34866af3023f8063d4bf02c06

comment:19 Changed 8 years ago by Martyn Gigg

Added separate Compton profile functions. Refs #6316

These will replace NCSCountRate as they are more fleixble and they isolate the code more effectively. It also allows a new profile to be used without too much effort.

Changeset: 6ccdb3ea28612f6aa62a0485b3a87474beec3576

comment:20 Changed 8 years ago by Martyn Gigg

Debugging NCSCountRate Refs #6316.

Changeset: a12562b6acf474bcfd69540764359401241bf3b8

comment:21 Changed 8 years ago by Martyn Gigg

Correct the computation of Voigt difference. Refs #6316

Changeset: 59054d5ac6a829d7cdb2767930d2b71f73d81f6f

comment:22 Changed 8 years ago by Martyn Gigg

Use correct theta calculation. Refs #6316

Changeset: 6ff31db2f45205784b2580edc106b82c3e95e13d

comment:23 Changed 8 years ago by Martyn Gigg

Remove obselete NCSCountRate function. Refs #6316

Changeset: 35fb6f43c176dfde20f2a042b80546bcc299e30b

comment:24 Changed 8 years ago by Martyn Gigg

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

Tester: The ultimate validity of this lies with the scientists and the verification is ongoing. The tests should certainly be pass for

  • ComptonProfileTest
  • GaussianComptonProfileTest
  • GramCharlierComptonProfileTest

comment:25 Changed 8 years ago by Martyn Gigg

Move local type to be able to use in a vector. Refs #6316

Changeset: 28def81eb844d6df4f9d0d7cd7be331d5ade8686

comment:26 Changed 8 years ago by Martyn Gigg

Move local type to class level for use as template Refs #6316

Changeset: eeb0cef957726cdf6d11bbcf086d2187e44e5e9f

comment:27 Changed 8 years ago by Martyn Gigg

Use int not unsigned int in std::pow for intel. Refs #6316

Changeset: 2916843755ac2c9e967b6af4cae985b94027cea2

comment:28 Changed 8 years ago by Martyn Gigg

Use double for std::log for MSVC Refs #6316

Changeset: ebb567b60edfa5b75e916e4dba6b6f8983520028

comment:29 Changed 8 years ago by Martyn Gigg

First cut at VESUVIO fitting function. Refs #6316

Changeset: 8033ee2f8990a0f42ba1d095f86e878d4ce94adb

comment:30 Changed 8 years ago by Martyn Gigg

Add HermitePolynomials helper functions. Refs #6316

Changeset: 92eff7b1649142cab4b6b82b6bdeb87eb4fb165b

comment:31 Changed 8 years ago by Martyn Gigg

Add neutron mass in AMU to physical constants. Refs #6316

Changeset: 0db520fa64c4b658c1b2f6d32d3f9726ef998964

comment:32 Changed 8 years ago by Martyn Gigg

NeutronCountRate fit runs without crashing. Refs #6316

Changeset: 5043a0216296c886d4489185183a3cdd70778718

comment:33 Changed 8 years ago by Martyn Gigg

Added separate Compton profile functions. Refs #6316

These will replace NCSCountRate as they are more fleixble and they isolate the code more effectively. It also allows a new profile to be used without too much effort.

Changeset: d98646656d57aaeaba1ded448b1d7e3e95ec6fb3

comment:34 Changed 8 years ago by Martyn Gigg

Debugging NCSCountRate Refs #6316.

Changeset: 9c676d207845653a37fa4e167b83654c838ae978

comment:35 Changed 8 years ago by Martyn Gigg

Correct the computation of Voigt difference. Refs #6316

Changeset: 8d3d0eed261f9ce7ad6200476373bbf53e82a8a5

comment:36 Changed 8 years ago by Martyn Gigg

Use correct theta calculation. Refs #6316

Changeset: cd9d09c0c508ce289d0d07e6268ba55d560164ab

comment:37 Changed 8 years ago by Martyn Gigg

Remove obselete NCSCountRate function. Refs #6316

Changeset: 4302551e75f0bee20142eb0383dda3cf13d35107

comment:38 Changed 8 years ago by Martyn Gigg

Move local type to be able to use in a vector. Refs #6316

Changeset: f646a2706823f3eb920751242596d540d8906bd1

comment:39 Changed 8 years ago by Martyn Gigg

Move local type to class level for use as template Refs #6316

Changeset: 0d7e8a8d750a2fdd8f4fd82e1b7c0f89183dab79

comment:40 Changed 8 years ago by Martyn Gigg

Use int not unsigned int in std::pow for intel. Refs #6316

Changeset: 68dac28bf9a77f65222ec621f952a70105ccc0d2

comment:41 Changed 8 years ago by Martyn Gigg

Use double for std::log for MSVC Refs #6316

Changeset: 67a877bd5a1f020cfb6ab29972b3743a6d612697

comment:42 Changed 8 years ago by Nick Draper

  • Status changed from verify to verifying
  • Tester set to Nick Draper

comment:43 Changed 8 years ago by Nick Draper

  • Status changed from verifying to closed

Suggested tests veirified and passing for some time on build servers.

This has been passed to the responsible instrument scientists for further validation and will not be advertised in this release.

comment:44 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue ​7162

Note: See TracTickets for help on using tickets.