ValenceErrorHandling

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

Details

When ValenceErrorHandling is True, hydrogens will be added or subtracted in order to fix valence errors.

Create cyclohexane from hexane by adding a bond between the terminal carbon atoms:

Two hydrogen atoms were removed when the bond was created:

Use ValenceErrorHandlingFalse to disable this:

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

Turning off error handling will give a divalent oxygen anion:

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

With automatic valence handling disabled, the atoms participating in the deleted bond have their "UnpairedElectronCount" incremented:

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