set.charge.formula {rcdk} | R Documentation |
This function set the charge to a cdkFormula
object.
It modifies as the IMolecularFormula
Java object as the
its mass.
formula <- set.charge.formula(formula, charge=-1)
formula |
A cdkFormula object. |
charge |
The value of the charge to set. |
None
Miguel Rojas-Cherto (miguelrojasch@yahoo.es)
A parallel effort to expand the Chemistry Development Kit: http://cdk.sourceforge.net
get.formula
,
get.isotopes.pattern
,
isvalid.formula
,
generate.formula