Ticket #6316 (closed: fixed)
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: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