Vector of molecular formulas.

Source: R/mol_form.R

Generate a vector of molecular formulas from a character vector.

molecular_formula(s = character())

is_molecular_formula(x)

Arguments

s

Character vector describing molecular formulas.
x

An object to test.

Value

An S3 vector of class mol_form.

Examples

molecular_formula("C35 H48 Cl1 N3 O10 S1")

#> <molecular formula[1]>
#> [1] C35 H48 Cl N3 O10 S

# spaces and counts with value 1 are optional
molecular_formula("C35H48ClN3O10S")

#> <molecular formula[1]>
#> [1] C35 H48 Cl N3 O10 S

# counts may be negative
molecular_formula("H-3 N-1")

#> <molecular formula[1]>
#> [1] H-3 N-1

# the function is vectorized
molecular_formula(c("H2 O", "C6 H12 O6", "C Cl4"))

#> <molecular formula[3]>
#> [1] H2 O      C6 H12 O6 C Cl4    

# ... and handles empty and missing formulas
molecular_formula(c("H2 O", "", "<empty>", NA))

#> <molecular formula[4]>
#> [1] H2 O    <empty> <empty> <NA>