Check if a chemical formula is subset in another one

Description

Check if a chemical formula is contained in another chemical formula

Usage

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check_ded(formulas, deduct)

Arguments

formulas

Vector with the containing chemical formula(s)

deduct

Chemical formula to be contained ("deduct")

Value

Returns a vector with length of input formulas, with TRUE if deduct is not contained and FALSE otherwise.

Note

Might be used used prior to subtracting a "deduct" chemical formula from that of a molecule when including adducts in the calculation of isotopic patterns. Chemical formulas must conform to what is described in check_chemform.

Author(s)

Martin Loos

See Also

adducts

Examples

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formulas<-c("C8H4Cl2","C10H16O2","C3H10")
deduct<-c("C4H10")
check_ded(formulas, deduct)