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bf102f644e | ||
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d770469a63 |
2
NEWS.md
2
NEWS.md
@@ -37,6 +37,8 @@
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* Fixed BRMO classification by including bacterial complexes (#275)
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* Fixed `as.sir()` for data frames silently deleting columns whose AB class was already `<sir>` when called a second time (re-running on already-converted data) (#278)
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* Fixed `as.sir()` for data frames incorrectly treating metadata columns (e.g. `patient`, `ward`) as antibiotic columns when their names coincidentally matched an antibiotic code; column content is now validated against AMR data patterns before inclusion
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* Improved parallel computing in `as.sir()`: when the number of AB columns is smaller than the number of available cores, rows are now split into batches so all cores stay active (row-batch mode). Previously, a 6-column dataset on a 16-core machine would only use 6 cores; now all 16 are used, with each worker processing a smaller row slice (lower per-worker memory pressure)
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* Fixed `as.sir()` ignoring `info = FALSE` for columns with no breakpoints (e.g. cefoxitin against *E. coli*): an operator-precedence bug (`&&`/`||`) caused the "Interpreting MIC values" intro message to fire unconditionally when `nrow(breakpoints) == 0`, regardless of `info`; the progress bar title was also not gated by `info`
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### Updates
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* Extensive `cli` integration for better message handling and clickable links in messages and warnings (#191, #265)
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82
R/sir.R
82
R/sir.R
@@ -952,7 +952,22 @@ as.sir.data.frame <- function(x,
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is_parallel_run <- isTRUE(parallel) && n_cores > 1 && length(ab_cols) > 1
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effective_info <- if (is_parallel_run) FALSE else info
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run_as_sir_column <- function(i) {
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# Row-batch mode: when n_cols < n_cores we would leave cores idle under plain
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# column-parallel dispatch. Instead we split rows into pieces so every core
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# gets work. pieces_per_col = ceil(n_cores / n_cols) gives ~n_cores jobs
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# total; each job processes one column on one row slice, which also reduces
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# per-worker memory pressure (smaller breakpoints search space).
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# Only used for the fork path (R >= 4.0, non-Windows); PSOCK clusters already
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# incur high per-job serialisation overhead so we keep column-mode there.
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use_fork <- is_parallel_run &&
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!(.Platform$OS.type == "windows" || getRversion() < "4.0.0")
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pieces_per_col <- if (use_fork && length(ab_cols) < n_cores) {
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ceiling(n_cores / length(ab_cols))
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} else {
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1L
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}
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run_as_sir_column <- function(i, rows = NULL) {
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# Always resolve AMR_env from the package namespace. This is essential for
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# PSOCK workers (where the closure-captured AMR_env is a stale serialised copy
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# while as.sir() writes to the live AMR:::AMR_env) and also avoids capturing
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@@ -967,14 +982,17 @@ as.sir.data.frame <- function(x,
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ab_col <- ab_cols[i]
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out <- list(result = NULL, log = NULL)
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# row subsetting: NULL means all rows (column-mode), otherwise row-batch mode
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row_idx <- if (is.null(rows)) seq_len(nrow(x)) else rows
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if (types[i] == "mic") {
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result <- as.sir(
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as.mic(as.character(x[, ab_col, drop = TRUE])),
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mo = x_mo,
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mo.bak = x[, col_mo, drop = TRUE],
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as.mic(as.character(x[row_idx, ab_col, drop = TRUE])),
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mo = x_mo[row_idx],
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mo.bak = x[row_idx, col_mo, drop = TRUE],
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ab = ab_col,
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guideline = guideline,
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uti = uti,
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uti = if (length(uti) > 1L) uti[row_idx] else uti,
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capped_mic_handling = capped_mic_handling,
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as_wt_nwt = as_wt_nwt,
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add_intrinsic_resistance = add_intrinsic_resistance,
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@@ -983,7 +1001,7 @@ as.sir.data.frame <- function(x,
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include_screening = include_screening,
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include_PKPD = include_PKPD,
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breakpoint_type = breakpoint_type,
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host = host,
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host = if (length(host) > 1L) host[row_idx] else host,
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verbose = verbose,
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info = effective_info,
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conserve_capped_values = conserve_capped_values,
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@@ -1004,12 +1022,12 @@ as.sir.data.frame <- function(x,
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return(out)
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} else if (types[i] == "disk") {
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result <- as.sir(
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as.disk(as.character(x[, ab_col, drop = TRUE])),
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mo = x_mo,
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mo.bak = x[, col_mo, drop = TRUE],
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as.disk(as.character(x[row_idx, ab_col, drop = TRUE])),
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mo = x_mo[row_idx],
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mo.bak = x[row_idx, col_mo, drop = TRUE],
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ab = ab_col,
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guideline = guideline,
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uti = uti,
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uti = if (length(uti) > 1L) uti[row_idx] else uti,
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as_wt_nwt = as_wt_nwt,
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add_intrinsic_resistance = add_intrinsic_resistance,
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reference_data = reference_data,
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@@ -1017,7 +1035,7 @@ as.sir.data.frame <- function(x,
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include_screening = include_screening,
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include_PKPD = include_PKPD,
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breakpoint_type = breakpoint_type,
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host = host,
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host = if (length(host) > 1L) host[row_idx] else host,
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verbose = verbose,
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info = effective_info,
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is_data.frame = TRUE
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@@ -1039,7 +1057,7 @@ as.sir.data.frame <- function(x,
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ab <- ab_col
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ab_coerced <- suppressWarnings(as.ab(ab, info = FALSE))
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show_message <- FALSE
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if (!all(x[, ab, drop = TRUE] %in% c("S", "SDD", "I", "R", "NI", NA), na.rm = TRUE)) {
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if (!all(x[row_idx, ab, drop = TRUE] %in% c("S", "SDD", "I", "R", "NI", NA), na.rm = TRUE)) {
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show_message <- TRUE
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if (isTRUE(effective_info)) {
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message_("\u00a0\u00a0", .amr_env$bullet_icon, " Cleaning values in column ", paste0("{.field ", font_bold(ab), "}"), " (",
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@@ -1060,7 +1078,7 @@ as.sir.data.frame <- function(x,
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)
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}
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}
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result <- as.sir(as.character(x[, ab, drop = TRUE]))
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result <- as.sir(as.character(x[row_idx, ab, drop = TRUE]))
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if (show_message == TRUE && isTRUE(effective_info)) {
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message_(font_green_bg("\u00a0OK\u00a0"), as_note = FALSE)
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}
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@@ -1075,10 +1093,14 @@ as.sir.data.frame <- function(x,
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if (isTRUE(parallel) && n_cores > 1 && length(ab_cols) > 1) {
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if (isTRUE(info)) {
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message_(as_note = FALSE)
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message_("Running in parallel mode using ", n_cores, " out of ", get_n_cores(Inf), " cores, on columns ", vector_and(font_bold(ab_cols, collapse = NULL), quotes = "'", sort = FALSE), "...", as_note = FALSE, appendLF = FALSE)
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if (pieces_per_col > 1L) {
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message_("Running in parallel mode using ", n_cores, " out of ", get_n_cores(Inf), " cores, on columns ", vector_and(font_bold(ab_cols, collapse = NULL), quotes = "'", sort = FALSE), " (", pieces_per_col, " row slices per column)...", as_note = FALSE, appendLF = FALSE)
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} else {
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message_("Running in parallel mode using ", n_cores, " out of ", get_n_cores(Inf), " cores, on columns ", vector_and(font_bold(ab_cols, collapse = NULL), quotes = "'", sort = FALSE), "...", as_note = FALSE, appendLF = FALSE)
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}
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}
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if (.Platform$OS.type == "windows" || getRversion() < "4.0.0") {
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# `cl` has been created in the part above before the `run_as_sir_column` function
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# PSOCK cluster: column-mode only (row-batch serialisation overhead not worth it)
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on.exit(parallel::stopCluster(cl), add = TRUE)
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parallel::clusterExport(cl, varlist = c(
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"x", "x.bak", "x_mo", "ab_cols", "types",
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@@ -1090,8 +1112,32 @@ as.sir.data.frame <- function(x,
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"run_as_sir_column"
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), envir = environment())
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result_list <- parallel::parLapply(cl, seq_along(ab_cols), run_as_sir_column)
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} else if (pieces_per_col > 1L) {
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# Row-batch mode (R >= 4.0, non-Windows, n_cols < n_cores):
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# build (col, row_slice) job pairs so all cores stay active
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row_cuts <- unique(round(seq(0, nrow(x), length.out = pieces_per_col + 1L)))
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row_ranges <- lapply(seq_len(length(row_cuts) - 1L), function(p) {
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seq.int(row_cuts[p] + 1L, row_cuts[p + 1L])
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})
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jobs <- do.call(c, lapply(seq_along(ab_cols), function(ci) {
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lapply(seq_along(row_ranges), function(p) list(col = ci, rows = row_ranges[[p]]))
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}))
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flat <- parallel::mclapply(jobs, function(job) {
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run_as_sir_column(job$col, job$rows)
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}, mc.cores = n_cores)
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# Reassemble: for each column concatenate row pieces in order
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result_list <- lapply(seq_along(ab_cols), function(ci) {
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pieces <- flat[vapply(jobs, function(j) j$col == ci, logical(1L))]
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list(
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result = as.sir(do.call(c, lapply(pieces, function(p) as.character(p$result)))),
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log = {
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logs <- Filter(Negate(is.null), lapply(pieces, function(p) p$log))
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if (length(logs) > 0L) do.call(rbind_AMR, logs) else NULL
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}
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)
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})
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} else {
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# R>=4.0 on unix
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# Column-parallel mode (R >= 4.0, non-Windows, n_cols >= n_cores)
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result_list <- parallel::mclapply(seq_along(ab_cols), run_as_sir_column, mc.cores = n_cores)
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}
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if (isTRUE(info)) {
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@@ -1552,11 +1598,11 @@ as_sir_method <- function(method_short,
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add_intrinsic_resistance_to_AMR_env()
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}
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if (isTRUE(info) && nrow(df_unique) < 10 || nrow(breakpoints) == 0) {
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if (isTRUE(info) && (nrow(df_unique) < 10 || nrow(breakpoints) == 0)) {
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# only print intro under 10 items, otherwise progressbar will print this and then it will be printed double
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message_(intro_txt, appendLF = FALSE, as_note = FALSE)
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}
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p <- progress_ticker(n = nrow(df_unique), n_min = 10, title = intro_txt, only_bar_percent = TRUE)
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p <- progress_ticker(n = nrow(df_unique), n_min = 10, print = isTRUE(info), title = intro_txt, only_bar_percent = TRUE)
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has_progress_bar <- !is.null(import_fn("progress_bar", "progress", error_on_fail = FALSE)) && nrow(df_unique) >= 10
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on.exit(close(p))
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@@ -502,6 +502,21 @@ test_that("test-sir.R", {
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sir_single_par <- suppressMessages(as.sir(df_single, col_mo = "mo", info = FALSE, parallel = TRUE))
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expect_identical(sir_single_seq[["AMC"]], sir_single_par[["AMC"]])
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# 9. row-batch mode (n_cols < n_cores): force row splitting via max_cores and
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# verify identical output to sequential for a dataset with 2 AB columns so
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# pieces_per_col = ceiling(max_cores / 2) >= 2 and row batching activates
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df_wide <- data.frame(
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mo = "B_ESCHR_COLI",
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AMC = as.mic(sample(c("1", "2", "4", "8"), n_par, TRUE)),
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GEN = as.mic(sample(c("1", "2", "4", "8"), n_par, TRUE)),
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stringsAsFactors = FALSE
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)
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sir_wide_seq <- suppressMessages(as.sir(df_wide, col_mo = "mo", info = FALSE))
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sir_wide_par <- suppressMessages(as.sir(df_wide, col_mo = "mo", info = FALSE,
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parallel = TRUE, max_cores = 8L))
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expect_identical(sir_wide_seq[["AMC"]], sir_wide_par[["AMC"]])
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expect_identical(sir_wide_seq[["GEN"]], sir_wide_par[["GEN"]])
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# 8. info = TRUE with parallel does not produce per-column worker messages
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# (messages should only appear in the main process, not duplicated from workers)
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msgs <- capture.output(
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@@ -1,71 +1,115 @@
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# Benchmark: sequential vs parallel as.sir() across data-set sizes
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# Benchmark: sequential vs parallel as.sir() across data-set shapes
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#
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# Run from the repo root with:
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# Run from the repo root:
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# Rscript tools/benchmark_parallel.R
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# or from inside an R session:
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# or inside an R session:
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# source("tools/benchmark_parallel.R")
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#
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# Requires ggplot2 for the output plot; uses devtools::load_all() so the
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# package does not need to be installed.
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# Two panels:
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# Left – fixed columns (n_ab_fixed), varying rows.
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# Parallel wins at small n; sequential catches up at large n due to
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# memory-bandwidth saturation (all workers compete for the same
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# clinical_breakpoints lookup table in L3 cache / RAM).
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# Right – fixed rows (n_rows_fixed), varying column count.
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# This is the shape that actually benefits: each additional column
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# keeps another core busy. The "real world" gain for a 2854×65
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# dataset lives here.
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#
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# Requires ggplot2; uses devtools::load_all() so the package need not be
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# installed.
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devtools::load_all(".", quiet = TRUE)
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sizes <- c(20, 200, 2000, 20000)
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n_ab <- 6 # number of antibiotic columns
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# ── configuration ─────────────────────────────────────────────────────────────
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row_sizes <- c(200, 1000, 5000, 20000)
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col_sizes <- c(4, 8, 16, 32, 48)
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n_rows_fixed <- 1000
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n_ab_fixed <- 16
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n_cores_avail <- AMR:::get_n_cores(Inf)
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make_df <- function(n) {
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all_abs <- c("AMC", "GEN", "CIP", "TZP", "IPM", "MEM",
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"AMP", "TMP", "SXT", "NIT", "FOX", "CRO",
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"FEP", "CAZ", "CTX", "TOB", "AMK", "ERY",
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"AZM", "CLI", "VAN", "TEC", "RIF", "MTR",
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"MFX", "LNZ", "TGC", "DOX", "FLC", "OXA",
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"PEN", "CXM", "CZO", "KAN", "COL", "FOS",
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"MUP", "TCY", "TEC", "IPM", "CHL", "FEP",
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"MEM", "TZP", "GEN", "AMC", "AMX", "AMP")
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all_abs <- unique(all_abs)
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mic_vals <- c("0.25", "0.5", "1", "2", "4", "8", "16", "32")
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make_df <- function(n_rows, n_ab) {
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set.seed(42)
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mics <- lapply(seq_len(n_ab), function(j) {
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as.mic(sample(c("0.25", "0.5", "1", "2", "4", "8", "16", "32"), n, TRUE))
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})
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names(mics) <- c("AMC", "GEN", "CIP", "TZP", "IPM", "MEM")
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ab_sel <- all_abs[seq_len(min(n_ab, length(all_abs)))]
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mics <- lapply(ab_sel, function(a) as.mic(sample(mic_vals, n_rows, TRUE)))
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names(mics) <- ab_sel
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data.frame(mo = "B_ESCHR_COLI", mics, stringsAsFactors = FALSE)
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}
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results <- do.call(rbind, lapply(sizes, function(n) {
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df <- make_df(n)
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time_both <- function(n_rows, n_ab, label) {
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df <- make_df(n_rows, n_ab)
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t_seq <- system.time(
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suppressMessages(as.sir(df, col_mo = "mo", info = FALSE, parallel = FALSE))
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)[["elapsed"]]
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t_par <- system.time(
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suppressMessages(as.sir(df, col_mo = "mo", info = FALSE, parallel = TRUE))
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)[["elapsed"]]
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message(sprintf("%-28s seq=%5.2fs par=%5.2fs speedup=%.1fx",
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label, t_seq, t_par, t_seq / t_par))
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data.frame(group = label, mode = c("sequential", "parallel"),
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seconds = c(t_seq, t_par), stringsAsFactors = FALSE)
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}
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message(sprintf("n = %6d seq = %.3fs par = %.3fs speedup = %.1fx",
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n, t_seq, t_par, t_seq / t_par))
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# ── warm-up (avoid first-call overhead biasing results) ───────────────────────
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message("Warming up cache ...")
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invisible(suppressMessages(as.sir(make_df(100, 6), col_mo = "mo", info = FALSE)))
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invisible(suppressMessages(as.sir(make_df(100, 6), col_mo = "mo", info = FALSE, parallel = TRUE)))
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sir_interpretation_history(clean = TRUE)
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data.frame(n = n, mode = c("sequential", "parallel"),
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seconds = c(t_seq, t_par))
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# ── panel 1: vary rows, fixed columns ─────────────────────────────────────────
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message(sprintf("\nPanel 1 – varying rows, %d fixed columns:", n_ab_fixed))
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res_rows <- do.call(rbind, lapply(row_sizes, function(n) {
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time_both(n, n_ab_fixed, sprintf("rows=%d", n))
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}))
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res_rows$x <- rep(row_sizes, each = 2)
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res_rows$panel <- "Vary rows (16 fixed AB columns)"
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# ── panel 2: vary columns, fixed rows ─────────────────────────────────────────
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message(sprintf("\nPanel 2 – varying columns, %d fixed rows:", n_rows_fixed))
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res_cols <- do.call(rbind, lapply(col_sizes, function(n_ab) {
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time_both(n_rows_fixed, n_ab, sprintf("cols=%d", n_ab))
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}))
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res_cols$x <- rep(col_sizes, each = 2)
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res_cols$panel <- sprintf("Vary columns (%d fixed rows)", n_rows_fixed)
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results <- rbind(res_rows, res_cols)
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if (requireNamespace("ggplot2", quietly = TRUE)) {
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p <- ggplot2::ggplot(results, ggplot2::aes(x = n, y = seconds,
|
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colour = mode, group = mode)) +
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p <- ggplot2::ggplot(
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results,
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ggplot2::aes(x = x, y = seconds, colour = mode, group = mode)
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) +
|
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ggplot2::geom_line(linewidth = 1) +
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ggplot2::geom_point(size = 3) +
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ggplot2::scale_x_log10(
|
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breaks = sizes,
|
||||
labels = format(sizes, big.mark = ",", scientific = FALSE)
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) +
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||||
ggplot2::geom_point(size = 2.5) +
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||||
ggplot2::facet_wrap(~panel, scales = "free_x") +
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ggplot2::scale_colour_manual(
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values = c(sequential = "#E05C5C", parallel = "#2E86AB")
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) +
|
||||
ggplot2::labs(
|
||||
title = "as.sir() throughput: sequential vs parallel",
|
||||
subtitle = sprintf("%d antibiotic columns, E. coli, EUCAST 2025", n_ab),
|
||||
x = "Number of rows (log scale)",
|
||||
subtitle = sprintf("E. coli, EUCAST 2026, %d cores available", n_cores_avail),
|
||||
x = "Dataset dimension (rows ·left· or columns ·right·)",
|
||||
y = "Wall-clock time (seconds)",
|
||||
colour = NULL
|
||||
) +
|
||||
ggplot2::theme_minimal(base_size = 13) +
|
||||
ggplot2::theme_minimal(base_size = 12) +
|
||||
ggplot2::theme(legend.position = "top")
|
||||
|
||||
out_file <- "tools/benchmark_parallel.png"
|
||||
ggplot2::ggsave(out_file, p, width = 7, height = 5, dpi = 150)
|
||||
message("Plot saved to ", out_file)
|
||||
ggplot2::ggsave(out_file, p, width = 10, height = 5, dpi = 150)
|
||||
message("\nPlot saved to ", out_file)
|
||||
} else {
|
||||
message("Install ggplot2 to get a plot; raw results:")
|
||||
print(results)
|
||||
print(results[, c("panel", "group", "mode", "seconds")])
|
||||
}
|
||||
|
||||
Reference in New Issue
Block a user