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rcdk (version 2.9.21)

set.charge.formula: 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

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