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:

Use ValenceErrorHandlingFalse 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:

Wolfram Research (2019), ValenceErrorHandling, Wolfram Language function, https://reference.wolfram.com/language/ref/ValenceErrorHandling.html.

Text

Wolfram Research (2019), ValenceErrorHandling, Wolfram Language function, https://reference.wolfram.com/language/ref/ValenceErrorHandling.html.

BibTeX

@misc{reference.wolfram_2020_valenceerrorhandling, author="Wolfram Research", title="{ValenceErrorHandling}", year="2019", howpublished="\url{https://reference.wolfram.com/language/ref/ValenceErrorHandling.html}", note=[Accessed: 01-March-2021 ]}

BibLaTeX

@online{reference.wolfram_2020_valenceerrorhandling, organization={Wolfram Research}, title={ValenceErrorHandling}, year={2019}, url={https://reference.wolfram.com/language/ref/ValenceErrorHandling.html}, note=[Accessed: 01-March-2021 ]}

CMS

Wolfram Language. 2019. "ValenceErrorHandling." Wolfram Language & System Documentation Center. Wolfram Research. https://reference.wolfram.com/language/ref/ValenceErrorHandling.html.

APA

Wolfram Language. (2019). ValenceErrorHandling. Wolfram Language & System Documentation Center. Retrieved from https://reference.wolfram.com/language/ref/ValenceErrorHandling.html