get.total.hydrogen.count: Get total number of implicit hydrogens in the molecule.
In rcdk: Interface to the 'CDK' Libraries
get.total.hydrogen.count R Documentation
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)
See Also
get.hydrogen.count, remove.hydrogens
rcdk documentation built on July 9, 2023, 7:27 p.m.
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| get.total.hydrogen.count | R Documentation |
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)
See Also
get.hydrogen.count, remove.hydrogens
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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