Ticket #8373 (closed: fixed)
Create 1D fitting function for the Fourier Transform of the Stretched Exponential
| Reported by: | Jose Borreguero | Owned by: | Jose Borreguero |
|---|---|---|---|
| Priority: | minor | Milestone: | Release 3.1 |
| Component: | Indirect Inelastic | Keywords: | |
| Cc: | Blocked By: | ||
| Blocking: | Tester: | Martyn Gigg |
Description
Just a python 1D fitting function to help quasi-elastic analysis with the Fourier Transform of the Stretched Exponential, used in systems showing glassy features.
Attachments
Change History
comment:2 Changed 7 years ago by Jose Borreguero
Refs #8373 First pass at the unit test
modified: StretchedExpFT.py new file: StretchedExpFTTest.py
Changeset: 7b3f698e4814bd394be10ecadedf118549d9c1e1
comment:3 Changed 7 years ago by Jose Borreguero
REfs #8373 Added comparison of fit parameters
modified: StretchedExpFTTest.py
Changeset: 15df01d16e96cccb24990bd30ee14fb685731f4c
comment:4 Changed 7 years ago by Jose Borreguero
Refs #8373 The function is finally fitting
modified: ../../../../plugins/functions/StretchedExpFT.py modified: ../functions/StretchedExpFTTest.py
Changeset: 51a48b1f1356b213832dcfbd3a778f69cf78141a
comment:5 Changed 7 years ago by Jose Borreguero
Refs #8373 Finished writing the test
modified: StretchedExpFT.py modified: StretchedExpFTTest.py
Changeset: 225f2dfeac69f7b6cd95a7b6e5a7240c60926045
comment:6 Changed 7 years ago by Jose Borreguero
Refs #8373 Finalize unit test
modified: StretchedExpFT.py
Changeset: a53bbfab42480d45578965581fffd9989830237e
comment:7 Changed 7 years ago by Jose Borreguero
Refs #8373 Inserted test name in CMakeLists
modified: CMakeLists.txt
Changeset: 60a70f07c5de84d7bb774f0fb277c72aec1c8aac
comment:8 Changed 7 years ago by Jose Borreguero
Manually added the wikipage http://www.mantidproject.org/StretchedExpFT
Changed 7 years ago by Jose Borreguero
- Attachment test_StretchedExpFT.py added
python script to be run in MamtidPlot
comment:9 Changed 7 years ago by Jose Borreguero
Refs #8373 final touches to the unit test :)
modified: StretchedExpFTTest.py
Changeset: 9a80ce77209a781f348804996a2a4153954e9332
comment:10 Changed 7 years ago by Jose Borreguero
Refs #8373 Fixed set initialization syntax for python >= 2.6
modified: StretchedExpFT.py
Changeset: 26e55a8bb3ef708ba005a510409e9f141207453b
comment:11 Changed 7 years ago by Jose Borreguero
Refs #8373 Indexed curly brances in format statements
This is needed for python 2.6
modified: StretchedExpFTTest.py
Changeset: f7cdff481969622d0b1db6f746a49ee5c61b0116
comment:12 Changed 7 years ago by Jose Borreguero
Refs #8373 unittest.TestCase.assertLess not implemented in python 2.6
Changed to assertTrue
modified: StretchedExpFTTest.py
Changeset: c9419fed7dd9abdaf2c263d5b4814c6600bf2ebe
comment:13 Changed 7 years ago by Jose Borreguero
Refs #8373 Do not perform unit test until scipy in MAC resolved
It turns out scipy is not installed for the MAC :(
Changeset: 02388675c1f2d3b514b3c8b995b4e5f74ea93c8f
comment:14 Changed 7 years ago by Martyn Gigg
Move scipy imports so that they don't happen on startup.
There seems to be an issue with loading scipy while mantid is imported in vanilla python. Move the import so that it happens later. Refs #8373
Changeset: 663cafaf998213f03f14f40e093a01a0c404ec42
comment:15 Changed 7 years ago by Jose Borreguero
Refs #8373 Reduced the variability in the initial guess
modified: CMakeLists.txt modified: StretchedExpFTTest.py
Changeset: 63009048e670c22aca6f17ef97dd38b1aa9d24e4
comment:16 Changed 7 years ago by Jose Borreguero
Refs #8373 don't run the test yet
modified: CMakeLists.txt
Changeset: 7e1c7fdf3d82cc0dc5248d763cf9ce02c6d184c4
comment:18 Changed 7 years ago by Jose Borreguero
Refs #8373 Try out the test afer scipy on MAC
Changeset: 32fdc47f96480fd9f3153d636c49c8da6596a5d1
comment:19 Changed 7 years ago by Jose Borreguero
Refs #8373 Keep scipy namespaces
modified: StretchedExpFT.py
Changeset: 223582fa27ad53fab86566b2b329d1abda9a11b3
comment:20 Changed 7 years ago by Jose Borreguero
Refs #8373 don't run until scipy on Windows works
modified: CMakeLists.txt
Changeset: 4ff035856ad128cc8ef0af8ee0c7ca5c9883605e
comment:21 Changed 7 years ago by Jose Borreguero
Refs #8373 Return zeros if fitting parameters become negative
Changeset: 77026d6837a9485c989fd8774a6891e6c2365668
comment:22 Changed 7 years ago by Jose Borreguero
Refs #8373 Insert the test again
Changeset: 2d7f3ddac1bd9759bddddc1003a7a9a97530c41f
comment:24 Changed 7 years ago by Jose Borreguero
- Status changed from inprogress to verify
- Resolution set to fixed
This ticket had so many silly commits because it turned out to be dependent on ticket #8464.
Notes to the tester:
- Download attached files to /tmp.
- In Mantidplot.Script_Window, load test_StretchedExpFT.py and execute.
- A fit of the data should yield the followings parameters:
height = 0.179803; tau = 146.373; beta = 0.759118
- You can plot workspace data_Workspace to visually inspect the fit
comment:25 Changed 7 years ago by Martyn Gigg
Skip test on windows debug where we don't have scipy modules compiled
Refs #8373
Changeset: cfa9c13544bdbbf41f163c223e90d54fd8a1577e
comment:26 Changed 7 years ago by Martyn Gigg
comment:27 Changed 7 years ago by Martyn Gigg
- Status changed from verify to verifying
- Tester set to Martyn Gigg
comment:28 Changed 7 years ago by Martyn Gigg
This looks fine, I get the expected parameter values.
As mentioned the problems with Mac & Windows have been solved and the buildservers are now happy with the code so I'm taking this as okay on all platforms.
comment:29 Changed 7 years ago by Martyn Gigg
- Status changed from verifying to closed
Merge remote-tracking branch 'origin/feature/8373_stretchExpFT'
Full changeset: 245e982777c5a099d5069671bfaa150f04bc3273
comment:30 Changed 7 years ago by Jose Borreguero
- Component changed from Framework to Indirect Inelastic
comment:31 Changed 5 years ago by Stuart Campbell
This ticket has been transferred to github issue 9218
Refs #8373 First pass at writing the function
Changeset: 3e26af331a4dbf594e9977f89217289583fb8ac9