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refactor: move optimization out of init and into fit #170

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Merged
merged 8 commits into from
Aug 24, 2025
Merged

refactor: move optimization out of init and into fit #170

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6aa9c8f
style: per sklearn, attributes learned from data end with underscore
Aug 21, 2025
b57061b
refactor: move optimization out of init and into fit
Aug 22, 2025
19485a7
fix: use new fit() for test
Aug 22, 2025
6a017e6
style: end fit() with return self
Aug 22, 2025
d02649a
docs: update docstring to reflect new functionality
Aug 22, 2025
1bee9c6
refactor: use rho and eta in fit
Aug 22, 2025
d3f31e9
feat: use reset for sequential refinements
Aug 23, 2025
c1b0ad0
fix: use copies for safety
Aug 23, 2025
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7 changes: 4 additions & 3 deletions src/diffpy/snmf/main.py
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Original file line number Diff line number Diff line change
Expand Up @@ -15,8 +15,9 @@
init_stretch=init_stretch_file,
show_plots=True,
)
my_model.fit(rho=1e12, eta=610)

print("Done")
np.savetxt("my_norm_components.txt", my_model.components, fmt="%.6g", delimiter=" ")
np.savetxt("my_norm_weights.txt", my_model.weights, fmt="%.6g", delimiter=" ")
np.savetxt("my_norm_stretch.txt", my_model.stretch, fmt="%.6g", delimiter=" ")
np.savetxt("my_norm_components.txt", my_model.components_, fmt="%.6g", delimiter=" ")
np.savetxt("my_norm_weights.txt", my_model.weights_, fmt="%.6g", delimiter=" ")
np.savetxt("my_norm_stretch.txt", my_model.stretch_, fmt="%.6g", delimiter=" ")
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