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PeakML.Methods.getCarbon <- function(formula){
# Returns the number of carbons in a compounds from the formula
carbons <- 0
elements <- c("Ca", "Cl", "Co", "Cr", "Cu", "Ce", "Cm", "Cf")
bonds <- c("CH", "CC", "CO", "CS", "CF", "CB", "CN","CP", "CR")
formula <- as.character(formula)
index <- grep("C", strsplit(formula,"")[[1]])
if (!length(index)==0){
subStr <- substr(formula, index, index + 2)
if (!substr(subStr,1,2) %in% elements){
carbons <- as.numeric(gsub("\\D", "", subStr))
}
if (substr(subStr,1,2) %in% bonds){
carbons <- 1
}
}
carbons
}
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