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Form factors of block copolymer micelles with spherical, ellipsoidal and cylindrical cores

This repository contains Python code to compute form factors of micelles described in the following paper:

@article{pedersen2000form,
  title={Form factors of block copolymer micelles with spherical, ellipsoidal and cylindrical cores},
  author={Pedersen, Jan Skov},
  journal={Journal of Applied Crystallography},
  volume={33},
  number={3},
  pages={637--640},
  year={2000},
  publisher={International Union of Crystallography}
}

Using these modes in a GUI (MacOS)

You can use these custom models in SasView GUI using their plugin_models capabilities. Follow the instructions below to make the plugin models available for use in a GUI.

  1. Locate the following folder on your Mac hard drive: /users/<your_username>/.sasview/plugin_models/. Note that to locate the. folders, you need to press Command + Shift + . (the period key) after you are in the /users/ folder.

  2. You can now copy the Python files related to the models into this folder and they should be available for use when you reopen SasView.

Using models in sasmodels (Python)

Install the required packages using pip install -r requirements.txt

import numpy as np
from sasmodels.core import load_model
from sasmodels.direct_model import call_kernel

model = load_model("../models/spherical_micelle.py")
q = np.logspace(-3,0, num=1000)
kernel = model.make_kernel([q])
Iq_sasmodels = call_kernel(kernel, sphere_params) # provide parameters approporiate to the model

Notes:

Although sasmodels require everything to be in Angstroms and the resulting intensity is in cm^-1, these plugin models do not require nor perform any unit conversions. The intensities output by the call_kernel method above are in inverse length scale.