Ticket #8778 (closed: fixed)
algorithm to interpolate S(Q,E) from a set of 2D workspaces
| Reported by: | Jose Borreguero | Owned by: | Jose Borreguero |
|---|---|---|---|
| Priority: | major | Milestone: | Release 3.2 |
| Component: | Framework | Keywords: | |
| Cc: | Blocked By: | ||
| Blocking: | Tester: | Michael Reuter |
Description (last modified by Jose Borreguero) (diff)
Given a set of temperature values {T_i} and corresponding structure factors {S_i=S(Q,E,T_i)}, interpolate a structure factor S(Q,E,T) for any temperature T within the range spanned by the {T_i} values. The workspaces are assumed to be MatrixWorkspace2D and all share the same (Q,E) values. More details in the related webpage DSFinterp at the Mantid wiki.
TESTING THE TICKET: It is first necessary to install python package dsfinterp, which can be obtained from the python package index
sudo pip install dsfinterp
If the package is not installed, then the algorithm will not be subscribed and will be unaivalable.
Download and uncompress the attached file, then run script DSFinterpTest.py to generate and plot a set of interpolated structure factors.
Attachments
Change History
comment:1 Changed 7 years ago by Jose Borreguero
- Summary changed from algorith to interpolate 2D S(Q,E) from a set or workspaces to algorithm to interpolate 2D S(Q,E) from a set or workspaces
comment:2 Changed 7 years ago by Jose Borreguero
- Description modified (diff)
- Summary changed from algorithm to interpolate 2D S(Q,E) from a set or workspaces to algorithm to interpolate S(Q,E) from a set or 2D workspaces
comment:3 Changed 7 years ago by Jose Borreguero
- Summary changed from algorithm to interpolate S(Q,E) from a set or 2D workspaces to algorithm to interpolate S(Q,E) from a set of 2D workspaces
comment:4 Changed 7 years ago by Jose Borreguero
- Status changed from new to inprogress
Refs #8778 First pass, pyexec barely started
Changeset: 494b0012df6b44d1ae4f4018ad1994ab8eece463
comment:5 Changed 7 years ago by Jose Borreguero
Refs #8778 First pass at pyexec
Changeset: 8b3cd51cb941e0cbdd7a50d620ea12d80ecb7ac6
comment:6 Changed 7 years ago by Jose Borreguero
Refs #8778 correct silly sintax error
Changeset: e4756b2c05d1e8531fc7c8c54e5c9466ca3ed4a3
comment:7 Changed 7 years ago by Nick Draper
- Milestone changed from Release 3.1 to Backlog
Moved to backlog at the end of Release 3.1
comment:8 Changed 7 years ago by Jose Borreguero
Refs #8778 Renamed algorithm
To better reflect that this algorithm uses the dsfinterp python package
Changeset: 6704c74115278ab4e6a386f76ed2e2c1c72bb9fa
comment:9 Changed 7 years ago by Jose Borreguero
Refs #8778 Added RegressionWindow and RegressionType properties
Changeset: 6b55cdc9ae42b909ebdd36f41d10296485fbb764
comment:10 Changed 7 years ago by Jose Borreguero
Refs #8778 We can now interpolate to more than one value
Changeset: b8d7a4bd3cea5c7d4c90fc443148c710ed55ef06
comment:11 Changed 7 years ago by Jose Borreguero
Refs #8778 Set channelgroup as an instance attribute
In case we want to reuse the algorithm, we can create an unmanaged algorith and run it many times, but we initialize only channelgroup once
Changeset: 7409cf1ae61389fa3594cdfa11cf7ba64aa9c16d
comment:14 Changed 7 years ago by Jose Borreguero
Refs #8778 Added bool variable to perform local regression
Changeset: be02deb7ae4bc4f2d7f8bfcb56c5a8486706fc6c
comment:15 Changed 7 years ago by Jose Borreguero
Refs #8778 First pass, pyexec barely started
Changeset: 3be3d12ca6cd0901caacecf283fcd009e387034c
comment:16 Changed 7 years ago by Jose Borreguero
Refs #8778 First pass at pyexec
Changeset: d577a38d1c01b63bec9a48cee4f0d6eaf9def745
comment:17 Changed 7 years ago by Jose Borreguero
Refs #8778 correct silly sintax error
Changeset: 0e335a4fb4c1d53bf689a80e69b0e4237e8cd72a
comment:18 Changed 7 years ago by Jose Borreguero
Refs #8778 Renamed algorithm
To better reflect that this algorithm uses the dsfinterp python package
Changeset: d1b5667aee6afdcd46daf25b934ff6b77c219f57
comment:19 Changed 7 years ago by Jose Borreguero
Refs #8778 Added RegressionWindow and RegressionType properties
Changeset: c7e1e67f9f541811a6e9762649bde965a914c988
comment:20 Changed 7 years ago by Jose Borreguero
Refs #8778 We can now interpolate to more than one value
Changeset: ad21de920d13f3c7a047cbb0c2cc29413bedb010
comment:21 Changed 7 years ago by Jose Borreguero
Refs #8778 Set channelgroup as an instance attribute
In case we want to reuse the algorithm, we can create an unmanaged algorith and run it many times, but we initialize only channelgroup once
Changeset: b9c50ad775e0ea83c81b7f1bce3f66cd8b9809f9
comment:22 Changed 7 years ago by Jose Borreguero
Refs #8778 Added bool variable to perform local regression
Changeset: a539ecb6a234d7fdeedff4e751a212b62058c1cf
comment:23 Changed 7 years ago by Jose Borreguero
Refs #8778 Add LoadErrors option in algorithm properties
Changeset: 3300ce8583424593c03edf7378f5fd7eb707791a
comment:24 Changed 7 years ago by Jose Borreguero
Refs #8778 Added reference to dsfinter in pypi
Changeset: c3832594aae0b1e3d0ae1c8d5ba5906d85638c0d
comment:25 Changed 7 years ago by Jose Borreguero
Refs #8778 Added WIKI header
Changeset: 330e1a09dbe82567ccb11c4896dfa07dad38ad2c
comment:26 Changed 7 years ago by Jose Borreguero
Refs #8778 Ammended WIKI header
Changeset: 220ca75a249804f3fbf10f9c38b24514b62a4e9d
comment:27 Changed 7 years ago by Jose Borreguero
Refs #8778 Added exceptions
Changeset: fa2899e76cead50052dcec3494a12a74fd84d764
comment:28 Changed 7 years ago by Jose Borreguero
Refs #8778 Unit test
Changeset: 161feb8aee443ed67e1f16d718d321657106e3db
comment:29 Changed 7 years ago by Jose Borreguero
Refs #8778 Added a StringArrayValidator
For linear regression types
Changeset: 5822c1471b1bea43f9fe48f4b0011dd23fe99619
comment:33 Changed 7 years ago by Jose Borreguero
TESTING THE TICKET: It is first necessary to install python package dsfinterp, which can be obtained from the python package index
sudo pip install dsfinterp
If the package is not installed, then the algorithm will not be subscribed and will be unaivalable.
Download and uncompress the attached file, then run script DSFinterpTest.py to generate and plot a set of interpolated structure factors.
comment:35 Changed 7 years ago by Jose Borreguero
- Status changed from inprogress to verify
- Resolution set to fixed
comment:36 Changed 7 years ago by Jose Borreguero
- Status changed from verify to reopened
- Resolution fixed deleted
comment:37 Changed 7 years ago by Jose Borreguero
- Status changed from reopened to inprogress
Refs #8778 Redo WIKI header
..and inserted mandatory validators
Changeset: 96a330cc16816e66015fa09ea26a4afa71c6673c
comment:38 Changed 7 years ago by Jose Borreguero
Refs #8778 Correct direction of some properties
Changeset: 1c7088c88cfb9cb9e61a7fce1c65fb8f942087cd
comment:39 Changed 7 years ago by Jose Borreguero
Refs #8778 Correct typo in WIKI header
Changeset: bd5bed0ebe2eb0f06540acbae5747ed5a0636a8b
comment:40 Changed 7 years ago by Jose Borreguero
- Status changed from inprogress to verify
- Resolution set to fixed
TESTING THE TICKET: It is first necessary to install python package dsfinterp, which can be obtained from the python package index
sudo pip install dsfinterp
If the package is not installed, then the algorithm will not be subscribed and will be unaivalable.
Download and uncompress the attached file, then run script DSFinterpTest.py to generate and plot a set of interpolated structure factors.
comment:41 Changed 7 years ago by Michael Reuter
- Status changed from verify to verifying
- Tester set to Michael Reuter
comment:42 Changed 7 years ago by Michael Reuter
- Status changed from verifying to closed
Merge remote-tracking branch 'origin/feature/8778_interpolate_sqe'
Full changeset: 729bb94ba411daf64395c265f2e6946455ab4c54
comment:43 Changed 5 years ago by Stuart Campbell
This ticket has been transferred to github issue 9622
