RMassBank (version 2.0.0)

add.formula: Calculations on molecular formulas

Description

Add, subtract, and multiply molecular formulas.

Usage

add.formula(f1, f2, as.formula = TRUE, as.list = FALSE)
multiply.formula(f1, n, as.formula = TRUE, as.list = FALSE)

Arguments

f1, f2

Molecular formulas (in list form or in text form) to calculate with.

as.formula

Return the result as a text formula (e.g. "C6H12O6"). This is the default

as.list

Return the result in list format (e.g. list(C=6, H=12, O=6)).

n

Multiplier (positive or negative, integer or non-integer.)

Value

The resulting formula, as specified above.

Details

Note that the results are not checked for plausibility at any stage, nor reordered.

See Also

formulastring.to.list, is.valid.formula, order.formula

Examples

##

add.formula("C6H12O6", "C3H3")
add.formula("C6H12O6", "C-3H-3")
add.formula("C6H12O6", multiply.formula("C3H3", -1))