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Make the FOX.MultiMolecule a subclass of np.ndarray #30

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BvB93 opened this issue Apr 14, 2019 · 2 comments
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Make the FOX.MultiMolecule a subclass of np.ndarray #30

BvB93 opened this issue Apr 14, 2019 · 2 comments
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enhancement New feature or request

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BvB93 commented Apr 14, 2019

Turning FOX.MultiMolecule into a proper np.ndarray subclass (1) would have the following advantages:

a. The number of magic methods specified in the FOX._MultiMolecule superclass can be greatly reduced.
b. Functions that can operate on NumPy arrays can (directly) operate on MultiMolecule objects.
@BvB93 BvB93 added the enhancement New feature or request label Apr 14, 2019
@BvB93 BvB93 self-assigned this Apr 14, 2019
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BvB93 commented Apr 17, 2019

Work in progress, see the ndarray-subclassing branch.

@BvB93 BvB93 mentioned this issue Apr 26, 2019
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BvB93 commented Apr 26, 2019

FOX.MultiMolecule is now a subclass of np.ndarray: #34.

@BvB93 BvB93 closed this as completed Apr 26, 2019
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