Open
Conversation
…ions, deleting useless functions
…less functions, renaming functions
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
Description
Adding a pure python model for nanoprisms of different cross sections with orientation averaging using Fibonacci quadrature.
Fixes #685
How Has This Been Tested?
Unit tests worked.
This model was compared to an another numerical calculation : for a gold nanoprism with a pentagonal cross section, agreement was found with the Debye equation (Debye calculator: https://github.com/FrederikLizakJohansen/DebyeCalculator). The Debye equation is based on atomic positions while SasView model is based on analytical expressions.
The model was also used to fit an experimental data (AuAg nanoprism of pentagonal cross section D = 30 nm, L = 117 nm).
Since it's a python model, there is still the issue: "the support orientational dispersion in pure python model" ( #695).
More tests should be made on small q. Indeed, like the previous model (octahedron_truncated model), we encouter issues when it comes to small q (q<10^-6 Angs). More precise mathematical should be used (see PR #694 comments).
Note : the fibonacci quadrature code (sasmodels/quadratures/fibonacci.py) was added to a new repository called "quadratures" because it could be also useful for other models.
To do:
Review Checklist:
[if using the editor, use
[x]in place of[ ]to check a box]Documentation (check at least one)
Installers
Licensing (untick if necessary)