sasmodels 0.99

sasmodels package

Theory models for small angle scattering.

The models provided are usable directly in the bumps fitting package and in the sasview analysis package. If OpenCL is available, the models will run much faster. If not, then precompiled versions will be included with the distributed package. New models can be added if OpenCL or a C compiler is available.

Example

The example directory contains a radial+tangential data set for an oriented rod-like shape.

The data is loaded by sas.dataloader from the sasview package, so sasview is needed to run the example.

To run the example, you need sasview, sasmodels and bumps. Assuming these repositories are installed side by side, change to the sasmodels/example directory and enter:

PYTHONPATH=..:../../sasview/src ../../bumps/run.py fit.py \
    cylinder --preview

See bumps documentation for instructions on running the fit. With the python packages installed, e.g., into a virtual environment, then the python path need not be set, and the command would be:

bumps fit.py cylinder --preview

The fit.py model accepts up to two arguments. The first argument is the model type, which has been defined for cylinder, capped_cylinder, core_shell_cylinder, ellipsoid, triaxial_ellipsoid and lamellar. The second argument is view, which can be radial or tangential. To fit both radial and tangential simultaneously, use the word “both”.

Notes

cylinder.c + cylinder.py is the cylinder model with renamed variables and sld scaled by 1e6 so the numbers are nicer. The model name is “cylinder”

lamellar.py is an example of a single file model with embedded C code.