Ticket #5428 (closed: fixed)

Opened 8 years ago

Last modified 5 years ago

Add temperature option to Fourier transform of Sassena intermediate scattering function

Reported by: Jose Borreguero Owned by: Jose Borreguero
Priority: major Milestone: Release 2.4
Component: Mantid Keywords:
Cc: Blocked By:
Blocking: Tester: Andrei Savici

Description (last modified by Jose Borreguero) (diff)

To apply the Schofield's detailed balance condition for the classical S(q,w), allow the user to set a temperature value when doing the Fourier transform of the Sassena intermediate scattering function

References:

  1. Schofield, Phys. Rev. Letters 4(5), 239 (1960).

Change History

comment:1 Changed 8 years ago by Jose Borreguero

  • Status changed from new to accepted

comment:2 Changed 8 years ago by Jose Borreguero

  • Description modified (diff)

comment:3 Changed 8 years ago by Jose Borreguero

Refs #5428 Included options for Temperature input

modified: SassenaFFT.cpp

Changeset: e484c7c14abcf1cab467c3bfe3532a7c46f1b943

comment:4 Changed 8 years ago by Jose Borreguero

Refs #5428 Fix silly mistake

modified: SassenaFFT.cpp

Changeset: f2be559ad07809eaf7000182828e687ccdab85f1

comment:5 Changed 8 years ago by Jose Borreguero

Refs #5428 Remove blank spaces in property names

modified: SassenaFFT.cpp

Changeset: 64bd38e4712fcb482c5f1ea29f2d462c4bab3d3f

comment:6 Changed 8 years ago by Jose Borreguero

Refs #5428 Included options for Temperature input

modified: SassenaFFT.cpp

Changeset: e484c7c14abcf1cab467c3bfe3532a7c46f1b943

comment:7 Changed 8 years ago by Jose Borreguero

Refs #5428 Fix silly mistake

modified: SassenaFFT.cpp

Changeset: f2be559ad07809eaf7000182828e687ccdab85f1

comment:8 Changed 8 years ago by Jose Borreguero

Refs #5428 Remove blank spaces in property names

modified: SassenaFFT.cpp

Changeset: 64bd38e4712fcb482c5f1ea29f2d462c4bab3d3f

comment:9 Changed 8 years ago by Jose Borreguero

Refs #5428 improved error testing

modified: SassenaFFT.h modified: SassenaFFT.cpp modified: SassenaFFTTest.h

Changeset: 43000672a5b53bb262727b05d099dc8dc2df8edc

comment:10 Changed 8 years ago by Jose Borreguero

Refs #5428 Prevent testing until issue resolved

modified: CMakeLists.txt

Changeset: 32aa6838ff556463f51584e168ebc8603f14571d

comment:11 Changed 8 years ago by Jose Borreguero

Refs #5428 Fix unit test

modified: CMakeLists.txt modified: src/SassenaFFT.cpp modified: test/SassenaFFTTest.h

Changeset: 5b278746acd8b56c1c4f67b74a927372f3dd7d61

comment:12 Changed 8 years ago by Jose Borreguero

Refs #5428 Temporarily removing SassenaFFTTest execution

modified: CMakeLists.txt

Changeset: 2fc34591879bdfe0d070a3bf50f3136d4450a1c0

comment:13 Changed 8 years ago by Jose Borreguero

Refs #5428 Fix fmax and sqrt issue with Windows build

modified: CMakeLists.txt modified: test/SassenaFFTTest.h

Windows only has versions of std::sqrt for doubles & floats, not int. Cast to double first fmax is an old cfunction that windows doesn't bring into the global namespace. Use std::max instead.

Changeset: 2ecf07d1181586871edd97a26c465c772989f8b1

comment:14 Changed 8 years ago by Jose Borreguero

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

comment:15 Changed 8 years ago by Jose Borreguero

  • Milestone changed from Release 2.2 to Release 2.3

comment:16 Changed 8 years ago by Jose Borreguero

  • Status changed from verify to reopened
  • Resolution fixed deleted

comment:17 Changed 8 years ago by Jose Borreguero

Refs #5428 improved error testing

modified: SassenaFFT.h modified: SassenaFFT.cpp modified: SassenaFFTTest.h

Changeset: 43000672a5b53bb262727b05d099dc8dc2df8edc

comment:18 Changed 8 years ago by Jose Borreguero

Refs #5428 Prevent testing until issue resolved

modified: CMakeLists.txt

Changeset: 32aa6838ff556463f51584e168ebc8603f14571d

comment:19 Changed 8 years ago by Jose Borreguero

Refs #5428 Fix unit test

modified: CMakeLists.txt modified: src/SassenaFFT.cpp modified: test/SassenaFFTTest.h

Changeset: 5b278746acd8b56c1c4f67b74a927372f3dd7d61

comment:20 Changed 8 years ago by Jose Borreguero

Refs #5428 Temporarily removing SassenaFFTTest execution

modified: CMakeLists.txt

Changeset: 2fc34591879bdfe0d070a3bf50f3136d4450a1c0

comment:21 Changed 8 years ago by Jose Borreguero

Refs #5428 Fix fmax and sqrt issue with Windows build

modified: CMakeLists.txt modified: test/SassenaFFTTest.h

Windows only has versions of std::sqrt for doubles & floats, not int. Cast to double first fmax is an old cfunction that windows doesn't bring into the global namespace. Use std::max instead.

Changeset: 2ecf07d1181586871edd97a26c465c772989f8b1

comment:22 Changed 8 years ago by Jose Borreguero

  • Milestone changed from Release 2.3 to Release 2.4

comment:23 Changed 8 years ago by Jose Borreguero

  • Status changed from reopened to accepted

comment:24 Changed 8 years ago by Jose Borreguero

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

HDF5 libraries have been updated, now algorithms dealing with sassena work

comment:25 Changed 8 years ago by Andrei Savici

  • Status changed from verify to verifying
  • Tester set to Andrei Savici

comment:26 Changed 8 years ago by Jose Borreguero

Refs #5428 Make use of PhysicalConstants::meVtoKelvin

modified: ../inc/MantidAlgorithms/SassenaFFT.h modified: ../test/SassenaFFTTest.h

Changeset: e70858cb2199fcd0c8f021493dc2862882f485ac

comment:27 Changed 8 years ago by Andrei Savici

  • Status changed from verifying to closed

See ticket #6510 for a new bug

comment:28 Changed 8 years ago by Jose Borreguero

Refs #5428 Make use of PhysicalConstants::meVtoKelvin

modified: ../inc/MantidAlgorithms/SassenaFFT.h modified: ../test/SassenaFFTTest.h

Changeset: e70858cb2199fcd0c8f021493dc2862882f485ac

comment:29 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue ​6274

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