R/52_check_parameters_functions.R
check_parameters4calculate_total_score.RdThis function validates the input parameters required for calculating the total score based on MS1, RT, and MS2 matching. It ensures the weights sum to 1 and that the matching scores are vectors of the same length.
check_parameters4calculate_total_score(
mz.match.score,
RT.match.score,
SS,
ms1.match.weight = 0.25,
rt.match.weight = 0.25,
ms2.match.weight = 0.5
)Numeric vector. The matching scores for MS1 peak matching (m/z).
Numeric vector. The matching scores for retention time (RT) matching.
Numeric vector. The matching scores for MS2 spectral matching (similarity score).
Numeric. Weight assigned to MS1 matching score in the total score calculation. Default is 0.25.
Numeric. Weight assigned to RT matching score in the total score calculation. Default is 0.25.
Numeric. Weight assigned to MS2 matching score in the total score calculation. Default is 0.5.
The function does not return a value but throws an error if any validation checks fail.
The function checks the following: * Ensures that `mz.match.score`, `RT.match.score`, and `SS` are vectors of the same length. * Checks that `ms1.match.weight`, `rt.match.weight`, and `ms2.match.weight` are numeric and that their sum equals 1. * Ensures that all required arguments (`mz.match.score`, `RT.match.score`, `SS`, and the weights) are provided.
If any of these conditions are not met, the function throws an error with a message explaining the issue.
if (FALSE) { # \dontrun{
# Example of valid inputs
mz_match <- c(0.9, 0.8, 0.7)
rt_match <- c(0.8, 0.7, 0.9)
ss_match <- c(0.7, 0.9, 0.8)
# Validate the parameters
check_parameters4calculate_total_score(
mz.match.score = mz_match,
RT.match.score = rt_match,
SS = ss_match,
ms1.match.weight = 0.3,
rt.match.weight = 0.3,
ms2.match.weight = 0.4
)
} # }