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Small performance opportunity in new Conjugation class. #395

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primaryodors opened this issue Nov 26, 2023 · 0 comments
Open

Small performance opportunity in new Conjugation class. #395

primaryodors opened this issue Nov 26, 2023 · 0 comments
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enhancement New feature or request. help wanted Extra attention is requested. low priority Not a show stopper, but should be addressed.

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@primaryodors
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          Would be good to get this working.

Originally posted by @primaryodors in #388 (comment)

The algorithm finds the two mutually closest atoms, saving the result in case the same call is made afterward from the opposite direction. However, the returned atom from the second call is always incorrect, which is why the feature was commented. As a result, the algorithm is run twice by the code that calls this function, when once should be sufficient.
@primaryodors primaryodors added enhancement New feature or request. help wanted Extra attention is requested. low priority Not a show stopper, but should be addressed. labels Nov 26, 2023
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enhancement New feature or request. help wanted Extra attention is requested. low priority Not a show stopper, but should be addressed.
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