Opened 2 years ago

Closed 2 years ago

#890 closed defect (fixed)

use new orientation definition for asymmetric shapes

Reported by: pkienzle Owned by: pkienzle
Priority: blocker Milestone: SasView 4.2.0
Component: sasmodels Keywords:
Cc: Work Package: SasModels Redesign

Description


Change History (12)

comment:1 Changed 2 years ago by pkienzle

  • Owner set to pkienzle
  • Status changed from new to assigned

comment:2 Changed 2 years ago by pkienzle

  • Milestone changed from SasView 4.1.0 to SasView 4.2.0

comment:3 Changed 2 years ago by Paul Kienzle <pkienzle@…>

In b00a646c6ab83c01056acef9b46d1e392433af0b/sasmodels:

orientation: use new orientation definition for asymmetric shapes. Refs #890.

comment:4 Changed 2 years ago by Paul Kienzle <pkienzle@…>

In 61104c829b100869b42c1afd75f30ed30a934cd1/sasmodels:

elliptical cylinder: adjust to new asymmetric orientation definition. Refs #890.

comment:5 Changed 2 years ago by Paul Kienzle <pkienzle@…>

In 50beefeac18f2f952bf0863526ec9bbd3009e29c/sasmodels:

paracrystal: adjust to new asymmetric orientation definition. Refs #890.

comment:6 Changed 2 years ago by Paul Kienzle <pkienzle@…>

In d6050806338b4bcae5a997acb08f4b1e7e14dd36/sasmodels:

parallelepiped: adjust to new asymmetric orientation definition. Refs #890.

comment:7 Changed 2 years ago by Paul Kienzle <pkienzle@…>

In 92dfe0c540274c8b800a9929c3f1e1a7d4cba9dc/sasmodels:

core shell parallelepiped: adjust to new asymmetric orientation definition; start fixing docs. Refs #890.

comment:8 Changed 2 years ago by Paul Kienzle <pkienzle@…>

In 68dd6a95741269738dcbfb051d93fe9f26b89c43/sasmodels:

triaxial ellipsoid: adjust to new asymmetric orientation definition; reimplement 1D model from Finnigan and Jacobs, 1971. Refs #890.

comment:9 Changed 2 years ago by richardh

triaxial ellipsoid and the parrallelepiped models still need modifications to their effective radius calculation.

triaxial_ellipsoid no longer asks users to keep A<B<C, For ER() need sort so that a≤b≤c; then if b is closer to a than to c, then we are prolate, a,b are equatorial axes and c is polar; else for oblate, a is polar and b,c are equatorial. Note this then uses ER() for ellipsoid, which has different calcs for oblate & prolate.

The paralleliped ER() uses that for cylinder, which seems not to have different version for rod and disk. But likewise we could sort the axes for ER() which would possibly remove the a<b<c requirement on theses models, but this needs testing!

Summary of what Paul K has already done in this ticket, apart from sorting the 2d I(Q) calculation:

major refactoring of calc of I(Q) in - core_shell_bicelle, ellipsoid

redone equations in docu in - ellipsoid, triaxial_ellipsoid

comment:10 Changed 2 years ago by richardh

comment:11 Changed 2 years ago by richardh

There are some notes in elliptical_cylinder about how many bins to use for orientational averages, these should be reviewed when we have he new integration scheme.

comment:12 Changed 2 years ago by pkienzle

  • Resolution set to fixed
  • Status changed from assigned to closed
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