Ticket #8778 (closed: fixed)

Opened 7 years ago

Last modified 5 years ago

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

DSFinterpTest.tar.gz (2.1 MB) - added by Jose Borreguero 7 years ago.

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:12 Changed 7 years ago by Jose Borreguero

  • Milestone changed from Backlog to Release 3.2

comment:13 Changed 7 years ago by Jose Borreguero

  • Blocked By 8947 added

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

comment:29 Changed 7 years ago by Jose Borreguero

Refs #8778 Added a StringArrayValidator

For linear regression types

Changeset: 5822c1471b1bea43f9fe48f4b0011dd23fe99619

comment:30 Changed 7 years ago by Jose Borreguero

  • Description modified (diff)

comment:31 Changed 7 years ago by Jose Borreguero

  • Description modified (diff)

comment:32 Changed 7 years ago by Jose Borreguero

  • Description modified (diff)

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:34 Changed 7 years ago by Jose Borreguero

  • Blocked By 8947 removed

comment:35 Changed 7 years ago by Jose Borreguero

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

Changed 7 years ago by Jose Borreguero

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

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