Opened 7 years ago
Closed 6 years ago
#896 closed defect (fixed)
equations in core shell parallelepiped docs do not match code
| Reported by: | pkienzle | Owned by: | butler |
|---|---|---|---|
| Priority: | critical | Milestone: | SasView 4.2.0 |
| Component: | SasView | Keywords: | |
| Cc: | Work Package: | SasModels Redesign |
Description
Equations in the core shell parallelepiped docs are incomplete, and what is there does not match the equations in the code.
Change History (9)
comment:1 Changed 7 years ago by richardh
comment:2 Changed 7 years ago by richardh
- Owner set to butler
- Status changed from new to assigned
core_shell_parallelepiped is a mess, Miguel made numerous comments in the c code about variants of the calculation hiding in the old libraries, including a comment from someone in 2010 that the IGOR code seemed wrong.
As no-one currently owns this ticket, I am going to assign it to Paul B, to see if he can recall what is going on, as along with Miguel I suspect that the current code is rather wrong.
Meanwhile does anyone have a copies of either of the references please:
P Mittelbach and G Porod, *Acta Physica Austriaca*, 14 (1961) 185-211
or
R Nayuk and K Huber, *Z. Phys. Chem.*, 226 (2012) 837-854
which is online here
https://www.degruyter.com/view/j/zpch.2012.226.issue-7-8/zpch.2012.0257/zpch.2012.0257.xml
If anyone would like, I do have a copy of this paper by Gille, which has some other references, and a very long analytic correlation function, which can be integratd to give I(Q). It also has an asymptotic expansion of I(Q), which it points out is still highly oscillatory on a Porod plot of Q4.I(Q), but may be useful to compare or include in our calculations.
Journal Appl. Cryst. (1999). 32, 1100-1104
The small-angle scattering correlation function of the cuboid
Wilfried Gille
comment:3 Changed 7 years ago by butler
Sorry - yes this should be mine. Not sure it should actually be a separate ticket but will leave it alone for now as I have no time to deal with it for another week or so. However it really cannot be addressed until #786 is addresses. #786 is the ticket that addresses the correctness of the code (the mess described by @richardh). This ticket technically only speaks to the documentation side (hence why it cannot be addressed till the actual code is worked out).
comment:4 Changed 7 years ago by richardh
My apologies, not meaning to nag, had missed the related #786 for the code itself.
comment:5 Changed 6 years ago by butler
- Priority changed from minor to critical
comment:6 Changed 6 years ago by butler
comment:7 Changed 6 years ago by butler
This is now sasmodels pull request 64 and awaits verification before merging to master. Once done this ticket can be closed.
comment:8 Changed 6 years ago by butler
comment:9 Changed 6 years ago by GitHub <noreply@…>
- Resolution set to fixed
- Status changed from assigned to closed
Have made some mods to docs but note still that the equations only have tA not tB, and need verify whether the tC faces are ever present, and if not then either remove them from the parameter list of add say "ignored" or "not used" to their descriptors.