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Throw an Exception if provided a molecule with elements that are not covered #190

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jchodera opened this issue Oct 10, 2023 · 1 comment
Open

Throw an Exception if provided a molecule with elements that are not covered #190

jchodera opened this issue Oct 10, 2023 · 1 comment
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enhancement 🪄 New feature or request

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@jchodera
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We need to be sure to throw an Exception if provided a molecule that contains elements that are not covered.
@mikemhenry mikemhenry added the enhancement 🪄 New feature or request label Oct 13, 2023
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Good idea, we should probably make a subclass of Exception like ElementParameterizationError so users can handle the exception if they want to.

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