set.charge.formula {rcdk}R Documentation

Set the charge to a cdkFormula object.

Description

This function set the charge to a cdkFormula object. It modifies as the IMolecularFormula Java object as the its mass.

Usage

formula <- set.charge.formula(formula, charge=-1)

Arguments

formula A cdkFormula object.
charge The value of the charge to set.

Value

None

Author(s)

Miguel Rojas-Cherto (miguelrojasch@yahoo.es)

References

A parallel effort to expand the Chemistry Development Kit: http://cdk.sourceforge.net

See Also

get.formula, get.isotopes.pattern, isvalid.formula, generate.formula


[Package rcdk version 2.9.2 Index]