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alignment invariant map to map distance #103

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merged 63 commits into from
Jan 17, 2025

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geoffwoollard
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@geoffwoollard geoffwoollard commented Sep 26, 2024

Closes #96

@geoffwoollard geoffwoollard self-assigned this Sep 26, 2024
@geoffwoollard geoffwoollard marked this pull request as draft September 26, 2024 16:49
interim_y = np.asarray(centroids[:, 1] - rob[:, 1])
interim_z = np.asarray(centroids[:, 2] - rob[:, 2])
# magn = [np.linalg.norm(centroids[i, :] - rob[i, :]) for i in range(rob.shape[0])]
# x = np.copy(interim_x)
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not sure if I need this...

@geoffwoollard
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I resolved the issue with installing dask_hpc_runner, but had to remove support of python 3.8 and 3.9, since there were issues with the dask stuff. I added Python 3.12 and 3.13, and it passed all the tests!

@DSilva27
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Could you add a config file example for this? Please include some comments explaining the parameters. I checked the one in the testing module, and the parameters are not very intuitive. Even better, it would be great if you could add a Pydantic config validator for this (check out my svd validator).

The last part is not a priority, we should have an issue about writing all validators in Pydantic, we could do that then.

@geoffwoollard
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Added a validator to gw_estra_params, and put in documentation in docstring

@DSilva27 DSilva27 merged commit 7b51e1e into dev Jan 17, 2025
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2 participants