ValenceErrorHandling

ValenceErrorHandling

is an option for MoleculeModify that specifies whether molecule valences should be automatically adjusted after modification.

Details

Examples

Basic Examples  (3)

Add a bond to a molecule, removing hydrogen atoms as necessary:

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Add the bond, turning off valence fixing:

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Adding a positive charge to oxygen will remove its hydrogen by default:

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Turning off error handling will give a divalent oxygen anion:

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Deleting a bond will by default add hydrogens to fill valences:

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With automatic valence handling disabled:

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The atoms participating in the deleted bond have their "UnpairedElectronCount" incremented:

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Introduced in 2019
(12.0)