I tried to keep the PR somewhat limited, but some of the new bits were somewhat interdependent. For instance, the optimiser uses the Fisher.from_sample constructor to create a structure from the sample. But from_sample, works by iterating over the possible models. Which creates a separate model for each experiment that is performed. (For each contrast and magnetic polarisation).
I could break it up, but I thought I'll clean it up instead, and make it into a single PR without creating temporary boiler-plate code. There's a Jupyter Notebook attached that shows the functionality. That too will of course need to be documented.
Todo:
[ ] Make sure the other sample classes integrate somewhat nicely. (In this current state, the bilayers don't work as it doesn't have a get_models method)
[ ] Clean the base Sample class, this now contains different parts of code. Some of which is now redundant, and other bits are not intuitive in naming and functioning.
[ ] Fix docstrings
[ ] Fix Notebook
[ ] Testing
[ ] Unit tests for this new code
Will also look into the other simple user-facing methods I had, but I think those could be part of a separate PR.
I tried to keep the PR somewhat limited, but some of the new bits were somewhat interdependent. For instance, the optimiser uses the
Fisher.from_sampleconstructor to create a structure from the sample. Butfrom_sample, works by iterating over the possible models. Which creates a separate model for each experiment that is performed. (For each contrast and magnetic polarisation).I could break it up, but I thought I'll clean it up instead, and make it into a single PR without creating temporary boiler-plate code. There's a Jupyter Notebook attached that shows the functionality. That too will of course need to be documented.
Todo:
get_modelsmethod)Sampleclass, this now contains different parts of code. Some of which is now redundant, and other bits are not intuitive in naming and functioning.Will also look into the other simple user-facing methods I had, but I think those could be part of a separate PR.