Give user option to save on original grid by Sparks29032 · Pull Request #304 · diffpy/diffpy.morph · GitHub
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Give user option to save on original grid#304

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sbillinge merged 6 commits into
diffpy:mainfrom
Sparks29032:choose-grid
Jun 1, 2026
Merged

Give user option to save on original grid#304
sbillinge merged 6 commits into
diffpy:mainfrom
Sparks29032:choose-grid

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@Sparks29032

@Sparks29032 Sparks29032 commented Jun 1, 2026

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Closes #284.

Default right now is to save the morphed function on the intersected grid. This is the same grid as --diff returns the function on as the subtraction occurs on the intersected grid. This PR allows the user to select --original-grid to return the morphed function on the original grid the morph happened on.

Tests are written for both the CLI and MorphPy.

@codecov

codecov Bot commented Jun 1, 2026

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Sparks29032 and others added 5 commits June 1, 2026 09:33
* Add uncertainties for main parameters.

* Works for all parameters now

* Fix other tests

* loosen tolerance to 1e-4 from 1e-5

* Lower tolerance more

* Remove comment

* [pre-commit.ci] auto fixes from pre-commit hooks

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Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
@Sparks29032

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@sbillinge sbillinge merged commit 2c7dbe5 into diffpy:main Jun 1, 2026
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Let user choose which grid the morph is returned on

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