molecular_formulas <- c("C3F7O3S", "C4F9O3S", "C5F11O3S", "C6F9O3S", "C8F17O3S",
"C9F19O3S", "C10F21O3S", "C7ClF14O4", "C10ClF20O4", "C11ClF22O4", "C11Cl2F21O4",
"C12ClF24O4")
##
ratio_delta_HBrClFI_C <- 2 # to aggregate polymeric classes
mixed.HBrClFI.allowed <- FALSE # To detect only halogen saturated classes
min_molecular_formula_class <- 2
max_number_formula_class <- 20
##
classes <- detect_formula_sets(molecular_formulas, ratio_delta_HBrClFI_C,
mixed.HBrClFI.allowed, min_molecular_formula_class, max_number_formula_class,
number_processing_threads = 1)
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