ValenceErrorHandling

ValenceErrorHandling

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

Details

Examples

Basic Examples  (3)

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

Two hydrogen atoms were removed when the bond was created:

Disabling this behavior

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:

Introduced in 2019
 (12.0)