R: Check if a chemical formula is subset in another one

check_ded {enviPat} | R Documentation

## Check if a chemical formula is subset in another one

### Description

Check if a chemical formula is contained in another chemical formula

### Usage

    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

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

[Package enviPat version 2.4 Index]