rcdk: get.total.hydrogen.count – R documentation

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get.total.hydrogen.count

Get total number of implicit hydrogens in the molecule.

Description

Counts the number of hydrogens on the provided molecule. As this method will sum all implicit hydrogens on each atom it is important to ensure the molecule has already been configured (and thus each atom has an implicit hydrogen count).

Usage

get.total.hydrogen.count(mol)

Arguments

mol

The molecule to query. Should be a 'jobjRef' representing an 'IAtomContainer'

Value

An integer representing the total number of implicit hydrogens

Author(s)

Rajarshi Guha (rajarshi.guha@gmail.com)

get.total.hydrogen.count

Description

Usage

Arguments

Value

Author(s)

See Also

rcdk

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