[SasView Users] Inquiry Regarding Model Fitting

[Stephen King - STFC UKRI via users]

Dear Constantina,

Thank you for your email.

By emailing the SasView Users list you are reaching out to all those Users signed up to that list, as well as members of the SasView development team. So you may get multiple replies.

You can modify the raspberry model yourself.

You will find the files in C:\SasView-5.0.6\sasmodels\models (or the equivalent path for where you have installed SasView). There are two files:

                raspberry.py
                raspberry.c

Copy these to your plugin models folder (eg: C:\Users\<yourusername>\.sasview\plugin_models, and rename them; maybe core_shell_raspberry?

Edit core_shell_raspberry.py and change these two lines to reflect the name changes:

                name = "raspberry"                                                         #the name of the model must match the name of the file
                source = ["lib/sas_3j1x_x.c", "raspberry.c"]

At this point, if you save the files and start SasView you should be able to load a model called core_shell_raspberry from the Plugin category and use it (although, of course, at this point it is still the normal raspberry model). If this works, then you can modify these two files to meet your requirements.

There is information on what these files contain, and therefore what you may need to change, here:

                https://www.sasview.org/downloads/creating_custom_fitting_models_in_sasview_v5.pdf

                https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html

Does this help answer your query?


Kind regards,
Steve King


On behalf of the Development Team

SasView is a not-for-profit collaboration. If you would like to get involved, please visit https://www.sasview.org/contribute/


From: users <users-bounces at lists.sasview.org> On Behalf Of Constantina Sofroniou via users
Sent: 08 January 2024 11:57
To: users at sasview.org
Subject: [SasView Users] Inquiry Regarding Model Fitting

Dear SasView team,

I hope this email finds you well. My name is Constantina, and I am a post-doc at the Department of Materials, Loughborough University.

I have a specific inquiry and am uncertain about the appropriate contact person. We are currently researching liposome-gold nanoparticle interactions and have acquired recent SANS data that poses challenges when fitting it with existing models. Our hypothesis is that gold nanoparticles penetrate the liposome phospholipid bilayer. After reviewing available models, we believe that the raspberry model, with a modification to incorporate a core in the large particle, would be the most suitable for our data (https://www.sasview.org/docs/user/models/raspberry.html).

Could you please direct me to the right person or provide assistance in connecting with someone who can help us modify the model as described?

Thank you in advance for your time and support.

Best regards,
Constantina

--
Constantina Sofroniou, PhD (she/her)

Postdoctoral Research Associate
Department of Materials
Loughborough University
LE11 3TU Loughborough
Leicesterhire
United Kingdom

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