Detects chemical mixtures by name based on ratio patterns

This function searches a vector of chemical names for patterns indicating a ratio, such as "(1:1)" or "(2:1)". It is useful for identifying potential mixtures that might not be flagged by other means. The search is robust to extra whitespace. It complements flag_multi_analyte(), which detects +/and separators rather than numeric ratios.

Usage

extract_mixture(name_vector)

Arguments

name_vector

A character vector of chemical names to search.

Value

A logical vector of the same length as name_vector. Returns TRUE if a ratio pattern is found, FALSE if not, and NA for NA inputs.

Examples

 if (FALSE) { # \dontrun{
test_names <- c(
  "Ethanol, water (1:1)",
  "Sodium chloride",
  "Styrene-butadiene copolymer (3:1)",
  "A name with extra spaces ( 2 : 1 )",
  "A name with decimals (1.5:1)",
  "1,2-Dichlorobenzene", # Should be FALSE
 "Mixture (3:1 w/w)",
  NA
)
extract_mixture(test_names)
test_names %>% enframe(., name = 'idx', value = 'name') %>% mutate(bool_mix = extract_mixture(name))
# Expected output: TRUE, FALSE, TRUE, TRUE, TRUE, FALSE, NA
} # }