Nothing
multiform <-
function(formula_in, fact){
formula_out <- c()
for(i in 1:length(formula_in)){
##############################################################################
# on first chemical formula
formula_in[i] <- gsub("D(?![a-z])","[2]H", formula_in[i], perl = T)
len <- nchar(formula_in[i])
element1 <- number1 <- c()
##############################################################################
# on formula_in (deduct)
j <- 1
while( j <= len){
if(substr(formula_in[i], j, j) == "["){
b <- j
while(!any(substr(formula_in[i], j, j) == "]")) j <- j + 1
k <- j
while(!any(substr(formula_in[i], j, j) == c("0","1","2","3","4","5","6","7","8","9"))) j <- j + 1
m <- j - 1
element1 <- c(element1, substr(formula_in[i], b, m))
}
if(!any(substr(formula_in[i], j, j) == c("0","1","2","3","4","5","6","7","8","9"))){
k <- j
while(!any(substr(formula_in[i], j, j) == c("0","1","2","3","4","5","6","7","8","9"))) j <- j + 1
m <- j <- j - 1
element1 <- c(element1, substr(formula_in[i], k, m))
}
if(any(substr(formula_in[i],j,j) == c("0","1","2","3","4","5","6","7","8","9"))){
k <- j
while(any(substr(formula_in[i], j, j) == c("0","1","2","3","4","5","6","7","8","9"))) j <- j + 1
m <- j <- j - 1
number1 <- c(number1, as.numeric(substr(formula_in[i], k, m)))
}
j <- j + 1
}
##############################################################################
# multiply
number1 <- fact * number1
formula_fin <- ""
for(i in 1:length(element1)) formula_fin <- paste0(formula_fin, element1[i], number1[i])
formula_out <- c(formula_out, formula_fin)
}
return(formula_out)
}
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