Ticket #7266 (closed: fixed)

Opened 7 years ago

Last modified 5 years ago

Improve PDFFourierTransform

Reported by: Peter Peterson Owned by: Peter Peterson
Priority: major Milestone: Release 2.6
Component: Diffraction Keywords:
Cc: Blocked By:
Blocking: Tester: Wenduo Zhou

Description (last modified by Nick Draper) (diff)

  1. Currently the default value is "GofR" which is not an allowed value. The default should be (currently only) allowed value. This really only affects calling the algorithm from python.
  2. Add support for calculating g(r)

Change History

comment:1 Changed 7 years ago by Peter Peterson

  • Owner changed from Wenduo Zhou to Peter Peterson
  • Status changed from new to accepted
  • Description modified (diff)
  • Summary changed from Correct the default PDFType for PDFFourierTransform to Improve PDFFourierTransform

comment:2 Changed 7 years ago by Peter Peterson

Re #7266. First a round of cleanup before doing actual work.

Changeset: a1b9c3c8902c6a7121b3b63bd6ea524fe54ed24b

comment:3 Changed 7 years ago by Peter Peterson

Re #7266. Reworked the entirety of the algorithm.

Now starts the cleanup effort.

Changeset: 246015906021daa79f01a84d2a2b538d070f51a1

comment:4 Changed 7 years ago by Peter Peterson

Re #7266. Cleaned up code and documentation before closing ticket.

Crazy things like updating the help and removing debug printing.

Changeset: 5fcdf0f23c71a43483e0ad22009c6357610d97d0

comment:5 Changed 7 years ago by Peter Peterson

Re #7266. Removing boilerplate comment.

Changeset: 434e8d13ac74d564371efa519ff50e2f9ed81d08

comment:6 Changed 7 years ago by Peter Peterson

Re #7266. Added error propagation for PDF transforms.

Changeset: 7bae75e06ca57940dab268fc01507f9311284ddd

comment:7 Changed 7 years ago by Peter Peterson

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

This is on ​feature/7266_PDFFourierTransform.

To test:

  1. Load /SNS/users/pf9/NOM_14527_sq.nxs (this is an S(Q) with rho0 = .176)
  2. Play with the algorithm to see if the various PDFs look reasonable

comment:8 Changed 7 years ago by Wenduo Zhou

  • Status changed from verify to verifying
  • Tester set to Wenduo Zhou

comment:9 Changed 7 years ago by Wenduo Zhou

  • Status changed from verifying to closed

The output of G(r) and g(r) are correct.

But it is better to write the definition of g(r) in wiki.

comment:10 Changed 7 years ago by Nick Draper

  • Component changed from Mantid to Framework

comment:11 Changed 7 years ago by Nick Draper

  • Component changed from Framework to Diffraction
  • Description modified (diff)

comment:12 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue ​8112

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