diff --git a/DESCRIPTION b/DESCRIPTION index 330a84c2..7a5ff1a3 100755 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -1,6 +1,6 @@ Package: AMR Version: 0.2.0.9011 -Date: 2018-07-13 +Date: 2018-07-15 Title: Antimicrobial Resistance Analysis Authors@R: c( person( diff --git a/NEWS.md b/NEWS.md index 297e79a2..27d5fe6f 100755 --- a/NEWS.md +++ b/NEWS.md @@ -1,6 +1,6 @@ # 0.2.0.90xx (development version) #### New -* **BREAKING**: `rsi_df` was removed in favour of new functions `resistance` and `susceptibility`. Now, all functions used to calculate resistance (`resistance` and `susceptibility`) or count isolates (`n_rsi`) use **hybrid evaluation**. This means calculations are not done in R directly but rather in C++ using the `Rcpp` package, making them 60 to 65 times faster. The function `rsi` still works, but is deprecated. +* **BREAKING**: `rsi_df` was removed in favour of new functions `resistance` and `susceptibility`. Now, all functions used to calculate resistance (`resistance` and `susceptibility`) or count isolates (`n_rsi`) use **hybrid evaluation**. This means calculations are not done in R directly but rather in C++ using the `Rcpp` package, making them 25 to 30 times faster. The function `rsi` still works, but is deprecated. * Support for Addins menu in RStudio to quickly insert `%in%` or `%like%` (and give them keyboard shortcuts), or to view the datasets that come with this package * For convience, new descriptive statistical functions `kurtosis` and `skewness` that are lacking in base R - they are generic functions and have support for vectors, data.frames and matrices * Function `g.test` as added to perform the Χ2 distributed [*G*-test](https://en.wikipedia.org/wiki/G-test), which use is the same as `chisq.test` @@ -23,6 +23,8 @@ ratio(c(772, 1611, 737), ratio = "1:2:1") #### Changed * Pretty printing for tibbles removed as it is not really the scope of this package +* Improved speed of key antibiotics comparison for determining first isolates +* Printing of class `mic` now shows all MIC values * `%like%` now supports multiple patterns * Frequency tables are now actual `data.frame`s with altered console printing to make it look like a frequency table. Because of this, the parameter `toConsole` is not longer needed. * Small translational improvements to the `septic_patients` dataset diff --git a/R/classes.R b/R/classes.R index 84db671b..14fcf66d 100755 --- a/R/classes.R +++ b/R/classes.R @@ -360,14 +360,15 @@ print.mic <- function(x, ...) { n_total <- x %>% length() x <- x[!is.na(x)] n <- x %>% length() - cat("Class 'mic': ", n, " isolates\n", sep = '') - cat('\n') - cat(' ', n_total - n, '\n') - cat('\n') - tbl <- tibble(x = x, y = 1) %>% group_by(x) %>% summarise(y = sum(y)) - cnt <- tbl %>% pull(y) - names(cnt) <- tbl %>% pull(x) - print(cnt) + cat("Class 'mic'\n") + cat(n, " results (missing: ", n_total - n, ' = ', percent((n_total - n) / n_total, force_zero = TRUE), ')\n', sep = "") + if (n > 0) { + cat('\n') + tibble(MIC = x, y = 1) %>% + group_by(MIC) %>% + summarise(n = sum(y)) %>% + base::print.data.frame(row.names = FALSE) + } } #' @exportMethod summary.mic diff --git a/R/first_isolates.R b/R/first_isolates.R index a9d459a7..73929520 100755 --- a/R/first_isolates.R +++ b/R/first_isolates.R @@ -314,11 +314,11 @@ first_isolate <- function(tbl, if (col_keyantibiotics != '') { if (info == TRUE) { if (type == 'keyantibiotics') { - cat('Comparing key antibiotics for first weighted isolates (') + cat('Key antibiotics for first weighted isolates will be compared (') if (ignore_I == FALSE) { cat('NOT ') } - cat('ignoring I)...\n') + cat('ignoring I).') } if (type == 'points') { cat(paste0('Comparing antibiotics for first weighted isolates (using points threshold of ' @@ -523,7 +523,6 @@ key_antibiotics_equal <- function(x, points_threshold = 2, info = FALSE) { # x is active row, y is lag - type <- type[1] if (length(x) != length(y)) { @@ -532,73 +531,75 @@ key_antibiotics_equal <- function(x, result <- logical(length(x)) - if (info == TRUE) { - p <- dplyr::progress_estimated(length(x)) - } - - for (i in 1:length(x)) { + if (type == "keyantibiotics") { + if (ignore_I == TRUE) { + # evaluation using regular expression will treat '?' as any character + # so I is actually ignored then + x <- gsub('I', '?', x, ignore.case = TRUE) + y <- gsub('I', '?', y, ignore.case = TRUE) + } + for (i in 1:length(x)) { + result[i] <- grepl(x = x[i], + pattern = y[i], + ignore.case = TRUE) | + grepl(x = y[i], + pattern = x[i], + ignore.case = TRUE) + } + return(result) + } else { if (info == TRUE) { - p$tick()$print() + p <- dplyr::progress_estimated(length(x)) } - if (is.na(x[i])) { - x[i] <- '' - } - if (is.na(y[i])) { - y[i] <- '' - } + for (i in 1:length(x)) { - if (nchar(x[i]) != nchar(y[i])) { + if (info == TRUE) { + p$tick()$print() + } - result[i] <- FALSE + if (is.na(x[i])) { + x[i] <- '' + } + if (is.na(y[i])) { + y[i] <- '' + } - } else if (x[i] == '' & y[i] == '') { + if (nchar(x[i]) != nchar(y[i])) { - result[i] <- TRUE + result[i] <- FALSE - } else { + } else if (x[i] == '' & y[i] == '') { - x2 <- strsplit(x[i], "")[[1]] - y2 <- strsplit(y[i], "")[[1]] - - if (type == 'points') { - # count points for every single character: - # - no change is 0 points - # - I <-> S|R is 0.5 point - # - S|R <-> R|S is 1 point - # use the levels of as.rsi (S = 1, I = 2, R = 3) - - suppressWarnings(x2 <- x2 %>% as.rsi() %>% as.double()) - suppressWarnings(y2 <- y2 %>% as.rsi() %>% as.double()) - - points <- (x2 - y2) %>% abs() %>% sum(na.rm = TRUE) - result[i] <- ((points / 2) >= points_threshold) - - } else if (type == 'keyantibiotics') { - # check if key antibiotics are exactly the same - # also possible to ignore I, so only S <-> R and S <-> R are counted - if (ignore_I == TRUE) { - valid_chars <- c('S', 's', 'R', 'r') - } else { - valid_chars <- c('S', 's', 'I', 'i', 'R', 'r') - } - - # remove invalid values (like "-", NA) on both locations - x2[which(!x2 %in% valid_chars)] <- '?' - x2[which(!y2 %in% valid_chars)] <- '?' - y2[which(!x2 %in% valid_chars)] <- '?' - y2[which(!y2 %in% valid_chars)] <- '?' - - result[i] <- all(x2 == y2) + result[i] <- TRUE } else { - stop('`', type, '` is not a valid value for type, must be "points" or "keyantibiotics". See ?first_isolate.') + + x2 <- strsplit(x[i], "")[[1]] + y2 <- strsplit(y[i], "")[[1]] + + if (type == 'points') { + # count points for every single character: + # - no change is 0 points + # - I <-> S|R is 0.5 point + # - S|R <-> R|S is 1 point + # use the levels of as.rsi (S = 1, I = 2, R = 3) + + suppressWarnings(x2 <- x2 %>% as.rsi() %>% as.double()) + suppressWarnings(y2 <- y2 %>% as.rsi() %>% as.double()) + + points <- (x2 - y2) %>% abs() %>% sum(na.rm = TRUE) + result[i] <- ((points / 2) >= points_threshold) + + } else { + stop('`', type, '` is not a valid value for type, must be "points" or "keyantibiotics". See ?first_isolate.') + } } } + if (info == TRUE) { + cat('\n') + } + result } - if (info == TRUE) { - cat('\n') - } - result } diff --git a/R/freq.R b/R/freq.R index 6665500b..f73640ef 100755 --- a/R/freq.R +++ b/R/freq.R @@ -151,7 +151,9 @@ frequency_tbl <- function(x, dots <- base::eval(base::substitute(base::alist(...))) ndots <- length(dots) - if (ndots > 0 & ndots < 10) { + if (NROW(x) == 0) { + x <- NA + } else if (ndots > 0 & ndots < 10) { cols <- as.character(dots) if (!all(cols %in% colnames(x))) { stop("one or more columns not found: `", paste(cols, collapse = "`, `"), '`', call. = FALSE) diff --git a/R/globals.R b/R/globals.R index bb1e3503..a0dc93f9 100755 --- a/R/globals.R +++ b/R/globals.R @@ -41,6 +41,7 @@ globalVariables(c('abname', 'labs', 'median', 'mic', + 'MIC', 'microorganisms', 'mocode', 'molis', diff --git a/R/resistance.R b/R/resistance.R index 6dfdda56..bc529c25 100755 --- a/R/resistance.R +++ b/R/resistance.R @@ -24,9 +24,11 @@ #' @param minimum minimal amount of available isolates. Any number lower than \code{minimum} will return \code{NA}. #' @param as_percent logical to indicate whether the output must be returned as percent (text), will else be a double #' @param interpretation antimicrobial interpretation +#' @param info \emph{DEPRECATED} calculate the amount of available isolates and print it, like \code{n = 423} +#' @param warning \emph{DEPRECATED} show a warning when the available amount of isolates is below \code{minimum} #' @details \strong{Remember that you should filter your table to let it contain only first isolates!} Use \code{\link{first_isolate}} to determine them in your data set. #' -#' All return values are calculated using hybrid evaluation (i.e. using C++), which makes these functions 60-65 times faster than in \code{AMR} v0.2.0 and below. The \code{rsi} function is available for backwards compatibility and deprecated. It now uses the \code{resistance} and \code{susceptibility} functions internally, based on the \code{interpretation} parameter. +#' The functions \code{resistance}, \code{susceptibility} and \code{n_rsi} calculate using hybrid evaluation (i.e. using C++), which makes these functions 25-30 times faster than the old \code{rsi} function. This function is still available for backwards compatibility but is deprecated. #' \if{html}{ #' \cr #' To calculate the probability (\emph{p}) of susceptibility of one antibiotic, we use this formula: @@ -90,6 +92,29 @@ #' genus == "Helicobacter") %>% #' summarise(p = susceptibility(amox, metr), # amoxicillin with metronidazole #' n = n_rsi(amox, metr)) +#' +#' +#' # How fast is this hybrid evaluation in C++ compared to R? +#' # In other words: how is the speed improvement of the new `resistance` compared to old `rsi`? +#' +#' library(microbenchmark) +#' df <- septic_patients %>% group_by(hospital_id, bactid) # 317 groups with sizes 1 to 167 +#' +#' microbenchmark(old_IR = df %>% summarise(p = rsi(amox, minimum = 0, interpretation = "IR")), +#' new_IR = df %>% summarise(p = resistance(amox, minimum = 0)), +#' old_S = df %>% summarise(p = rsi(amox, minimum = 0, interpretation = "S")), +#' new_S = df %>% summarise(p = susceptibility(amox, minimum = 0)), +#' times = 5, +#' unit = "s") +#' +#' # Unit: seconds +#' # expr min lq mean median uq max neval +#' # old_IR 1.95600230 1.96096857 1.97981537 1.96823318 2.00645711 2.00741568 5 +#' # new_IR 0.06872808 0.06984932 0.07162866 0.06987306 0.07050094 0.07919192 5 +#' # old_S 1.68893579 1.69024888 1.72461867 1.69785934 1.70428796 1.84176137 5 +#' # new_S 0.06737037 0.06838167 0.07431906 0.07745364 0.07827224 0.08011738 5 +#' +#' # The old function took roughly 2 seconds, the new ones take 0.07 seconds. #' } resistance <- function(ab, include_I = TRUE, @@ -109,7 +134,11 @@ resistance <- function(ab, stop('`as_percent` must be logical', call. = FALSE) } - x <- as.integer(as.rsi(ab)) + if (!is.rsi(ab)) { + x <- as.rsi(ab) + } else { + x <- ab + } total <- .Call(`_AMR_rsi_calc_total`, x) if (total < minimum) { return(NA) @@ -144,16 +173,22 @@ susceptibility <- function(ab1, stop('`as_percent` must be logical', call. = FALSE) } + if (!is.rsi(ab1)) { + ab1 <- as.rsi(ab1) + } if (!is.null(ab2)) { if (NCOL(ab2) > 1) { stop('`ab2` must be a vector of antimicrobial interpretations', call. = FALSE) } - x <- apply(X = data.frame(ab1 = as.integer(as.rsi(ab1)), - ab2 = as.integer(as.rsi(ab2))), + if (!is.rsi(ab2)) { + ab2 <- as.rsi(ab2) + } + x <- apply(X = data.frame(ab1 = as.integer(ab1), + ab2 = as.integer(ab2)), MARGIN = 1, FUN = min) } else { - x <- as.integer(as.rsi(ab1)) + x <- ab1 } total <- .Call(`_AMR_rsi_calc_total`, x) if (total < minimum) { @@ -174,42 +209,221 @@ n_rsi <- function(ab1, ab2 = NULL) { if (NCOL(ab1) > 1) { stop('`ab1` must be a vector of antimicrobial interpretations', call. = FALSE) } + if (!is.rsi(ab1)) { + ab1 <- as.rsi(ab1) + } if (!is.null(ab2)) { if (NCOL(ab2) > 1) { stop('`ab2` must be a vector of antimicrobial interpretations', call. = FALSE) } - x <- apply(X = data.frame(ab1 = as.integer(as.rsi(ab1)), - ab2 = as.integer(as.rsi(ab2))), + if (!is.rsi(ab2)) { + ab2 <- as.rsi(ab2) + } + x <- apply(X = data.frame(ab1 = as.integer(ab1), + ab2 = as.integer(ab2)), MARGIN = 1, FUN = min) } else { - x <- as.integer(as.rsi(ab1)) + x <- ab1 } .Call(`_AMR_rsi_calc_total`, x) } - #' @rdname resistance #' @export rsi <- function(ab1, - ab2 = NULL, - interpretation = "IR", + ab2 = NA, + interpretation = 'IR', minimum = 30, - as_percent = FALSE) { - warning("'rsi' is deprecated. Use 'resistance' or 'susceptibility' instead.", call. = FALSE) - if (interpretation %in% c('IR', 'RI')) { - resistance(ab = ab1, include_I = TRUE, minimum = minimum, as_percent = as_percent) - } else if (interpretation == 'R') { - resistance(ab = ab1, include_I = FALSE, minimum = minimum, as_percent = as_percent) - } else if (interpretation %in% c('IS', 'SI')) { - susceptibility(ab1 = ab1, ab2 = ab2, include_I = TRUE, minimum = minimum, as_percent = as_percent) - } else if (interpretation == 'S') { - susceptibility(ab1 = ab1, ab2 = ab2, include_I = FALSE, minimum = minimum, as_percent = as_percent) + as_percent = FALSE, + info = FALSE, + warning = TRUE) { + ab1.name <- deparse(substitute(ab1)) + if (ab1.name %like% '.[$].') { + ab1.name <- unlist(strsplit(ab1.name, "$", fixed = TRUE)) + ab1.name <- ab1.name[length(ab1.name)] + } + if (!ab1.name %like% '^[a-z]{3,4}$') { + ab1.name <- 'rsi1' + } + if (length(ab1) == 1 & is.character(ab1)) { + stop('`ab1` must be a vector of antibiotic interpretations.', + '\n Try rsi(', ab1, ', ...) instead of rsi("', ab1, '", ...)', call. = FALSE) + } + ab2.name <- deparse(substitute(ab2)) + if (ab2.name %like% '.[$].') { + ab2.name <- unlist(strsplit(ab2.name, "$", fixed = TRUE)) + ab2.name <- ab2.name[length(ab2.name)] + } + if (!ab2.name %like% '^[a-z]{3,4}$') { + ab2.name <- 'rsi2' + } + if (length(ab2) == 1 & is.character(ab2)) { + stop('`ab2` must be a vector of antibiotic interpretations.', + '\n Try rsi(', ab2, ', ...) instead of rsi("', ab2, '", ...)', call. = FALSE) + } + + interpretation <- paste(interpretation, collapse = "") + + ab1 <- as.rsi(ab1) + ab2 <- as.rsi(ab2) + + tbl <- tibble(rsi1 = ab1, rsi2 = ab2) + colnames(tbl) <- c(ab1.name, ab2.name) + + if (length(ab2) == 1) { + r <- rsi_df(tbl = tbl, + ab = ab1.name, + interpretation = interpretation, + minimum = minimum, + as_percent = FALSE, + info = info, + warning = warning) } else { - stop('invalid `interpretation`') + if (length(ab1) != length(ab2)) { + stop('`ab1` (n = ', length(ab1), ') and `ab2` (n = ', length(ab2), ') must be of same length.', call. = FALSE) + } + if (!interpretation %in% c('S', 'IS', 'SI')) { + warning('`interpretation` not set to S or I/S, albeit analysing a combination therapy.', call. = FALSE) + } + r <- rsi_df(tbl = tbl, + ab = c(ab1.name, ab2.name), + interpretation = interpretation, + minimum = minimum, + as_percent = FALSE, + info = info, + warning = warning) + } + if (as_percent == TRUE) { + percent(r, force_zero = TRUE) + } else { + r } } +#' @importFrom dplyr %>% filter_at vars any_vars all_vars +#' @noRd +rsi_df <- function(tbl, + ab, + interpretation = 'IR', + minimum = 30, + as_percent = FALSE, + info = TRUE, + warning = TRUE) { + + # in case tbl$interpretation already exists: + interpretations_to_check <- paste(interpretation, collapse = "") + + # validate: + if (min(grepl('^[a-z]{3,4}$', ab)) == 0 & + min(grepl('^rsi[1-2]$', ab)) == 0) { + for (i in 1:length(ab)) { + ab[i] <- paste0('rsi', i) + } + } + if (!grepl('^(S|SI|IS|I|IR|RI|R){1}$', interpretations_to_check)) { + stop('Invalid `interpretation`; must be "S", "SI", "I", "IR", or "R".') + } + if ('is_ic' %in% colnames(tbl)) { + if (n_distinct(tbl$is_ic) > 1 & warning == TRUE) { + warning('Dataset contains isolates from the Intensive Care. Exclude them from proper epidemiological analysis.') + } + } + + # transform when checking for different results + if (interpretations_to_check %in% c('SI', 'IS')) { + for (i in 1:length(ab)) { + tbl[which(tbl[, ab[i]] == 'I'), ab[i]] <- 'S' + } + interpretations_to_check <- 'S' + } + if (interpretations_to_check %in% c('RI', 'IR')) { + for (i in 1:length(ab)) { + tbl[which(tbl[, ab[i]] == 'I'), ab[i]] <- 'R' + } + interpretations_to_check <- 'R' + } + + # get fraction + if (length(ab) == 1) { + numerator <- tbl %>% + filter(pull(., ab[1]) == interpretations_to_check) %>% + nrow() + + denominator <- tbl %>% + filter(pull(., ab[1]) %in% c("S", "I", "R")) %>% + nrow() + + } else if (length(ab) == 2) { + if (interpretations_to_check != 'S') { + warning('`interpretation` not set to S or I/S, albeit analysing a combination therapy.', call. = FALSE) + } + numerator <- tbl %>% + filter_at(vars(ab[1], ab[2]), + any_vars(. == interpretations_to_check)) %>% + filter_at(vars(ab[1], ab[2]), + all_vars(. %in% c("S", "R", "I"))) %>% + nrow() + + denominator <- tbl %>% + filter_at(vars(ab[1], ab[2]), + all_vars(. %in% c("S", "R", "I"))) %>% + nrow() + + } else if (length(ab) == 3) { + if (interpretations_to_check != 'S') { + warning('`interpretation` not set to S or I/S, albeit analysing a combination therapy.', call. = FALSE) + } + numerator <- tbl %>% + filter_at(vars(ab[1], ab[2], ab[3]), + any_vars(. == interpretations_to_check)) %>% + filter_at(vars(ab[1], ab[2], ab[3]), + all_vars(. %in% c("S", "R", "I"))) %>% + nrow() + + denominator <- tbl %>% + filter_at(vars(ab[1], ab[2], ab[3]), + all_vars(. %in% c("S", "R", "I"))) %>% + nrow() + + } else { + stop('Maximum of 3 drugs allowed.') + } + + # build text part + if (info == TRUE) { + cat('n =', denominator) + info.txt1 <- percent(denominator / nrow(tbl)) + if (denominator == 0) { + info.txt1 <- 'none' + } + info.txt2 <- gsub(',', ' and', + ab %>% + abname(tolower = TRUE) %>% + toString(), fixed = TRUE) + info.txt2 <- gsub('rsi1 and rsi2', 'these two drugs', info.txt2, fixed = TRUE) + info.txt2 <- gsub('rsi1', 'this drug', info.txt2, fixed = TRUE) + cat(paste0(' (of ', nrow(tbl), ' in total; ', info.txt1, ' tested on ', info.txt2, ')\n')) + } + + # calculate and format + y <- numerator / denominator + if (as_percent == TRUE) { + y <- percent(y, force_zero = TRUE) + } + + if (denominator < minimum) { + if (warning == TRUE) { + warning(paste0('TOO FEW ISOLATES OF ', toString(ab), ' (n = ', denominator, ', n < ', minimum, '); NO RESULT.')) + } + y <- NA + } + + # output + y +} + + #' Predict antimicrobial resistance #' #' Create a prediction model to predict antimicrobial resistance for the next years on statistical solid ground. Standard errors (SE) will be returned as columns \code{se_min} and \code{se_max}. See Examples for a real live example. diff --git a/README.md b/README.md index d49fb07b..b05851c1 100755 --- a/README.md +++ b/README.md @@ -25,7 +25,7 @@ This R package was created for academic research by PhD students of the Faculty This R package contains functions to make **microbiological, epidemiological data analysis easier**. It allows the use of some new classes to work with MIC values and antimicrobial interpretations (i.e. values S, I and R). With `AMR` you can: -* Calculate the resistance (and even co-resistance) of microbial isolates with the `resistance` and `susceptibility` functions, that can also be used with the `dplyr` package (e.g. in conjunction with `summarise`). Our functions use expressions that are not evaluated by R, but by alternative C++ code that is dramatically faster and uses less memory. This is called *hybrid evaluation*. +* Calculate the resistance (and even co-resistance) of microbial isolates with the `resistance` and `susceptibility` functions, that can also be used with the `dplyr` package (e.g. in conjunction with `summarise`) * Predict antimicrobial resistance for the nextcoming years with the `rsi_predict` function * Apply [EUCAST rules to isolates](http://www.eucast.org/expert_rules_and_intrinsic_resistance/) with the `EUCAST_rules` function * Identify first isolates of every patient [using guidelines from the CLSI](https://clsi.org/standards/products/microbiology/documents/m39/) (Clinical and Laboratory Standards Institute) with the `first_isolate` function @@ -41,6 +41,8 @@ And it contains: With the `MDRO` function (abbreviation of Multi Drug Resistant Organisms), you can check your isolates for exceptional resistance with country-specific guidelines or EUCAST rules. Currently guidelines for Germany and the Netherlands are supported. Please suggest addition of your own country here: [https://github.com/msberends/AMR/issues/new](https://github.com/msberends/AMR/issues/new?title=New%20guideline%20for%20MDRO&body=%3C--%20Please%20add%20your%20country%20code,%20guideline%20name,%20version%20and%20source%20below%20and%20remove%20this%20line--%3E). +The functions to calculate microbial resistance use expressions that are not evaluated by R itself, but by alternative C++ code that is 25 to 30 times faster and uses less memory. This is called *hybrid evaluation*. + #### Read all changes and new functions in [NEWS.md](NEWS.md). ## How to get it? diff --git a/man/resistance.Rd b/man/resistance.Rd index 2dd77648..3827d779 100644 --- a/man/resistance.Rd +++ b/man/resistance.Rd @@ -14,8 +14,8 @@ susceptibility(ab1, ab2 = NULL, include_I = FALSE, minimum = 30, n_rsi(ab1, ab2 = NULL) -rsi(ab1, ab2 = NULL, interpretation = "IR", minimum = 30, - as_percent = FALSE) +rsi(ab1, ab2 = NA, interpretation = "IR", minimum = 30, + as_percent = FALSE, info = FALSE, warning = TRUE) } \arguments{ \item{ab, ab1, ab2}{vector of antibiotic interpretations, they will be transformed internally with \code{\link{as.rsi}}} @@ -27,6 +27,10 @@ rsi(ab1, ab2 = NULL, interpretation = "IR", minimum = 30, \item{as_percent}{logical to indicate whether the output must be returned as percent (text), will else be a double} \item{interpretation}{antimicrobial interpretation} + +\item{info}{\emph{DEPRECATED} calculate the amount of available isolates and print it, like \code{n = 423}} + +\item{warning}{\emph{DEPRECATED} show a warning when the available amount of isolates is below \code{minimum}} } \value{ Double or, when \code{as_percent = TRUE}, a character. @@ -37,7 +41,7 @@ These functions can be used to calculate the (co-)resistance of microbial isolat \details{ \strong{Remember that you should filter your table to let it contain only first isolates!} Use \code{\link{first_isolate}} to determine them in your data set. -All return values are calculated using hybrid evaluation (i.e. using C++), which makes these functions 60-65 times faster than in \code{AMR} v0.2.0 and below. The \code{rsi} function is available for backwards compatibility and deprecated. It now uses the \code{resistance} and \code{susceptibility} functions internally, based on the \code{interpretation} parameter. +The functions \code{resistance}, \code{susceptibility} and \code{n_rsi} calculate using hybrid evaluation (i.e. using C++), which makes these functions 25-30 times faster than the old \code{rsi} function. This function is still available for backwards compatibility but is deprecated. \if{html}{ \cr To calculate the probability (\emph{p}) of susceptibility of one antibiotic, we use this formula: @@ -98,6 +102,29 @@ my_table \%>\% genus == "Helicobacter") \%>\% summarise(p = susceptibility(amox, metr), # amoxicillin with metronidazole n = n_rsi(amox, metr)) + + +# How fast is this hybrid evaluation in C++ compared to R? +# In other words: how is the speed improvement of the new `resistance` compared to old `rsi`? + +library(microbenchmark) +df <- septic_patients \%>\% group_by(hospital_id, bactid) # 317 groups with sizes 1 to 167 + +microbenchmark(old_IR = df \%>\% summarise(p = rsi(amox, minimum = 0, interpretation = "IR")), + new_IR = df \%>\% summarise(p = resistance(amox, minimum = 0)), + old_S = df \%>\% summarise(p = rsi(amox, minimum = 0, interpretation = "S")), + new_S = df \%>\% summarise(p = susceptibility(amox, minimum = 0)), + times = 5, + unit = "s") + +# Unit: seconds +# expr min lq mean median uq max neval +# old_IR 1.95600230 1.96096857 1.97981537 1.96823318 2.00645711 2.00741568 5 +# new_IR 0.06872808 0.06984932 0.07162866 0.06987306 0.07050094 0.07919192 5 +# old_S 1.68893579 1.69024888 1.72461867 1.69785934 1.70428796 1.84176137 5 +# new_S 0.06737037 0.06838167 0.07431906 0.07745364 0.07827224 0.08011738 5 + +# The old function took roughly 2 seconds, the new ones take 0.07 seconds. } } \keyword{antibiotics} diff --git a/src/RcppExports.cpp b/src/RcppExports.cpp index f3ff4a2f..fe2af464 100644 --- a/src/RcppExports.cpp +++ b/src/RcppExports.cpp @@ -6,36 +6,36 @@ using namespace Rcpp; // rsi_calc_S -int rsi_calc_S(std::vector x, bool include_I); +int rsi_calc_S(DoubleVector x, bool include_I); RcppExport SEXP _AMR_rsi_calc_S(SEXP xSEXP, SEXP include_ISEXP) { BEGIN_RCPP Rcpp::RObject rcpp_result_gen; Rcpp::RNGScope rcpp_rngScope_gen; - Rcpp::traits::input_parameter< std::vector >::type x(xSEXP); + Rcpp::traits::input_parameter< DoubleVector >::type x(xSEXP); Rcpp::traits::input_parameter< bool >::type include_I(include_ISEXP); rcpp_result_gen = Rcpp::wrap(rsi_calc_S(x, include_I)); return rcpp_result_gen; END_RCPP } // rsi_calc_R -int rsi_calc_R(std::vector x, bool include_I); +int rsi_calc_R(DoubleVector x, bool include_I); RcppExport SEXP _AMR_rsi_calc_R(SEXP xSEXP, SEXP include_ISEXP) { BEGIN_RCPP Rcpp::RObject rcpp_result_gen; Rcpp::RNGScope rcpp_rngScope_gen; - Rcpp::traits::input_parameter< std::vector >::type x(xSEXP); + Rcpp::traits::input_parameter< DoubleVector >::type x(xSEXP); Rcpp::traits::input_parameter< bool >::type include_I(include_ISEXP); rcpp_result_gen = Rcpp::wrap(rsi_calc_R(x, include_I)); return rcpp_result_gen; END_RCPP } // rsi_calc_total -int rsi_calc_total(std::vector x); +int rsi_calc_total(DoubleVector x); RcppExport SEXP _AMR_rsi_calc_total(SEXP xSEXP) { BEGIN_RCPP Rcpp::RObject rcpp_result_gen; Rcpp::RNGScope rcpp_rngScope_gen; - Rcpp::traits::input_parameter< std::vector >::type x(xSEXP); + Rcpp::traits::input_parameter< DoubleVector >::type x(xSEXP); rcpp_result_gen = Rcpp::wrap(rsi_calc_total(x)); return rcpp_result_gen; END_RCPP diff --git a/src/rsi_calc.cpp b/src/rsi_calc.cpp index 9b3f8e0d..da2c3e19 100644 --- a/src/rsi_calc.cpp +++ b/src/rsi_calc.cpp @@ -1,12 +1,11 @@ #include -#include // for std::vector #include // for std::less, etc #include // for count_if -using namespace Rcpp ; +using namespace Rcpp; // [[Rcpp::export]] -int rsi_calc_S(std::vector x, bool include_I) { +int rsi_calc_S(DoubleVector x, bool include_I) { if (include_I == TRUE) { return count_if(x.begin(), x.end(), bind2nd(std::less_equal(), 2)); } else { @@ -15,7 +14,7 @@ int rsi_calc_S(std::vector x, bool include_I) { } // [[Rcpp::export]] -int rsi_calc_R(std::vector x, bool include_I) { +int rsi_calc_R(DoubleVector x, bool include_I) { if (include_I == TRUE) { return count_if(x.begin(), x.end(), bind2nd(std::greater_equal(), 2)); } else { @@ -24,6 +23,6 @@ int rsi_calc_R(std::vector x, bool include_I) { } // [[Rcpp::export]] -int rsi_calc_total(std::vector x) { - return count_if(x.begin(), x.end(), bind2nd(std::less_equal(), 3)); +int rsi_calc_total(DoubleVector x) { + return count_if(x.begin(), x.end(), bind2nd(std::less_equal(), 3)); } diff --git a/tests/testthat/test-first_isolates.R b/tests/testthat/test-first_isolates.R index 1079e5c0..34363d7e 100755 --- a/tests/testthat/test-first_isolates.R +++ b/tests/testthat/test-first_isolates.R @@ -19,7 +19,7 @@ test_that("first isolates work", { na.rm = TRUE), 1959) - # septic_patients contains 1961 out of 2000 first *weighted* isolates + # septic_patients contains 1963 out of 2000 first *weighted* isolates expect_equal( suppressWarnings( sum( @@ -31,7 +31,7 @@ test_that("first isolates work", { type = "keyantibiotics", info = TRUE), na.rm = TRUE)), - 1961) + 1963) # and 1998 when using points expect_equal( suppressWarnings( diff --git a/tests/testthat/test-resistance.R b/tests/testthat/test-resistance.R index d6862d76..6120d37a 100755 --- a/tests/testthat/test-resistance.R +++ b/tests/testthat/test-resistance.R @@ -2,8 +2,8 @@ context("resistance.R") test_that("resistance works", { # amox resistance in `septic_patients` should be around 57.56% - expect_equal(resistance(septic_patients$amox), 0.5756, tolerance = 0.0001) - expect_equal(susceptibility(septic_patients$amox), 1 - 0.5756, tolerance = 0.0001) + expect_equal(resistance(septic_patients$amox, include_I = TRUE), 0.5756, tolerance = 0.0001) + expect_equal(susceptibility(septic_patients$amox, include_I = FALSE), 1 - 0.5756, tolerance = 0.0001) # pita+genta susceptibility around 98.09% expect_equal(susceptibility(septic_patients$pita,