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make fit solution more accessible #554

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bobmyhill merged 1 commit into geodynamics:master from bobmyhill:fitsolution2

Jun 22, 2023

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bobmyhill commented Jun 22, 2023

This PR makes the function burnman.optimize.composition_fitting.fit_composition_to_solution() more accessible by:

Implementing a DummyCompositionSolution class that doesn't require declaration of real endmembers.
Adding a site_occupancies method to Solution that returns the current species proportions on each site
Adding a site_formula method to Solution that returns a readable string formula with the current species proportions on each site

The new functions are tested in examples/example_fit_composition.py which produces new output.


          make fit solution more accessible

650bea8

bobmyhill merged commit dac8cd6 into geodynamics:master

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bobmyhill deleted the fitsolution2 branch

June 22, 2023 15:59

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