biopipen 0.34.7__py3-none-any.whl → 0.34.8__py3-none-any.whl

biopipen/__init__.py

@@ -1 +1 @@
-__version__ = "0.34.7"
+__version__ = "0.34.8"

biopipen/ns/scrna.py

@@ -2706,6 +2706,7 @@ class PseudoBulkDEG(Proc):
             analysis.
 
     Envs:
+        ncores (type=int): Number of cores to use for parallelization.
         mutaters (type=json): Mutaters to mutate the metadata of the
             seurat object. Keys are the new column names and values are the
             expressions to mutate the columns. These new columns can be
@@ -2715,6 +2716,9 @@ class PseudoBulkDEG(Proc):
         each: The column name in metadata to separate the cells into different cases.
             When specified, the case will be expanded to multiple cases for
             each value in the column.
+        cache (type=auto): Where to cache the results.
+            If `True`, cache to `outdir` of the job. If `False`, don't cache.
+            Otherwise, specify the directory to cache to.
         subset: An expression in string to subset the cells.
         aggregate_by: The column names in metadata to aggregate the cells.
         layer: The layer to pull and aggregate the data.
@@ -2844,7 +2848,9 @@ class PseudoBulkDEG(Proc):
     lang = config.lang.rscript
     script = "file://../scripts/scrna/PseudoBulkDEG.R"
     envs = {
+        "ncores": config.misc.ncores,
         "mutaters": {},
+        "cache": config.path.tmpdir,
         "each": None,
         "subset": None,
         "aggregate_by": None,

biopipen/scripts/scrna/MarkersFinder.R

@@ -268,20 +268,22 @@ process_markers <- function(markers, info, case) {
         ui = "tabs"
     )
 
-    for (plotname in names(case$marker_plots)) {
-        plotargs <- case$marker_plots[[plotname]]
-        plotargs$degs <- markers
-        rownames(plotargs$degs) <- make.unique(markers$gene)
-        plotargs$outprefix <- file.path(info$prefix, paste0("markers.", slugify(plotname)))
-        do_call(VizDEGs, plotargs)
-        reporter$add2(
-            list(
-                name = plotname,
-                contents = list(reporter$image(plotargs$outprefix, plotargs$more_formats, plotargs$save_code))),
-            hs = c(info$section, info$name),
-            hs2 = ifelse(is.null(case$ident), "Markers", paste0("Markers (", case$ident, ")")),
-            ui = "tabs"
-        )
+    if (nrow(markers) > 0) {
+        for (plotname in names(case$marker_plots)) {
+            plotargs <- case$marker_plots[[plotname]]
+            plotargs$degs <- markers
+            rownames(plotargs$degs) <- make.unique(markers$gene)
+            plotargs$outprefix <- file.path(info$prefix, paste0("markers.", slugify(plotname)))
+            do_call(VizDEGs, plotargs)
+            reporter$add2(
+                list(
+                    name = plotname,
+                    contents = list(reporter$image(plotargs$outprefix, plotargs$more_formats, plotargs$save_code))),
+                hs = c(info$section, info$name),
+                hs2 = ifelse(is.null(case$ident), "Markers", paste0("Markers (", case$ident, ")")),
+                ui = "tabs"
+            )
+        }
     }
 
     # Do enrichment analysis
@@ -399,6 +401,10 @@ process_allmarkers <- function(markers, plotcases, casename, groupname) {
         plotargs <- plotcases[[plotname]]
         plotargs$degs <- markers
         plotargs$outprefix <- file.path(info$prefix, slugify(plotname))
+        if (identical(plotargs$plot_type, "heatmap")) {
+            plotargs$show_row_names = plotargs$show_row_names %||% TRUE
+            plotargs$show_column_names = plotargs$show_column_names %||% TRUE
+        }
         do_call(VizDEGs, plotargs)
         reporter$add2(
             list(
@@ -547,7 +553,9 @@ run_case <- function(name) {
                 attr(markers, "group_by") <- each
                 attr(markers, "ident_1") <- NULL
                 attr(markers, "ident_2") <- NULL
-                process_allmarkers(markers, allmarker_plots, name, each)
+                if (!is.null(markers) && nrow(markers) > 0) {
+                    process_allmarkers(markers, allmarker_plots, name, each)
+                }
             }
 
             if (length(overlaps) > 0) {
@@ -557,7 +565,7 @@ run_case <- function(name) {
 
         }
 
-        if (!is.null(enriches)) {
+        if (!is.null(enriches) && length(enriches) > 0) {
             log$info("- Summarizing enrichments in subcases (by each: {each}) ...")
             if (!is.data.frame(enriches)) {
                 each_levels <- names(enriches)
@@ -573,7 +581,7 @@ run_case <- function(name) {
                 enriches[[each]] <- factor(enriches[[each]], levels = each_levels)
             }
 
-            if (length(allenrich_plots) > 0) {
+            if (length(allenrich_plots) > 0 && !is.null(enriches) && nrow(enriches) > 0) {
                 log$info("- Visualizing all enrichments together ...")
                 process_allenriches(enriches, allenrich_plots, name, each)
             }
@@ -636,7 +644,9 @@ run_case <- function(name) {
         ))
 
         if (!is.null(original_case) && !is.null(cases[[original_case]])) {
-            markers[[each_name]] <- each
+            if (nrow(markers) > 0) {
+                markers[[each_name]] <- each
+            }
             cases[[original_case]]$markers[[each]] <<- markers
             cases[[original_case]]$enriches[[each]] <<- enrich
         }

biopipen/scripts/scrna/PseudoBulkDEG.R

@@ -8,7 +8,9 @@ outdir <- {{out.outdir | r}}
 joboutdir <- {{job.outdir | r}}
 each <- {{envs.each | r}}
 subset <- {{envs.subset | r}}
+ncores <- {{envs.ncores | r}}
 mutaters <- {{envs.mutaters | r}}
+cache <- {{ envs.cache | r }}
 aggregate_by <- {{envs.aggregate_by | r}}
 layer <- {{envs.layer | r}}
 assay <- {{envs.assay | r}}
@@ -35,6 +37,7 @@ overlaps <- {{ envs.overlaps | r }}
 cases <- {{envs.cases | r}}
 
 aggregate_by <- unique(c(aggregate_by, group_by, paired_by, each))
+if (isTRUE(cache)) { cache <- joboutdir }
 
 log <- get_logger()
 reporter <- get_reporter()
@@ -74,10 +77,12 @@ defaults <- list(
     ident_1 = ident_1,
     ident_2 = ident_2,
     dbs = dbs,
+    ncores = ncores,
     sigmarkers = sigmarkers,
     enrich_style = enrich_style,
     paired_by = paired_by,
     tool = tool,
+    cache = cache,
     allmarker_plots_defaults = allmarker_plots_defaults,
     allmarker_plots = allmarker_plots,
     allenrich_plots_defaults = allenrich_plots_defaults,
@@ -181,6 +186,7 @@ expand_each <- function(name, case) {
         if (length(case$overlaps) > 0 || length(case$allmarker_plots) > 0 || length(case$allenrich_plots) > 0) {
             ovcase <- case
 
+            ovcase$allexprs <- list()
             ovcase$markers <- list()
             ovcase$allmarker_plots <- lapply(
                 ovcase$allmarker_plots,
@@ -533,18 +539,21 @@ run_case <- function(name) {
         "dbs", "sigmarkers", "allmarker_plots", "allenrich_plots", "marker_plots", "enrich_plots",
         "overlaps", "original_case", "markers", "enriches", "each_name", "each", "enrich_style",
         "aggregate_by", "subset", "layer", "assay", "group_by", "ident_1", "ident_2", "original_subset",
-        "paired_by", "tool", "error",
+        "paired_by", "tool", "error", "ncores", "cache", "allexprs",
         allow_nonexisting = TRUE
     )
 
     if (!is.null(markers) || !is.null(enriches)) {
-        if (!is.null(markers)) {  # It is the overlap/allmarker case
-            log$info("- Summarizing DEGs in subcases (by each: {each}) ...")
+        if (!is.null(markers) && length(markers) > 0) {
+            log$info("Summarizing DEGs in subcases (by each: {each}) ...")
             # handle the overlaps / allmarkers analysis here
             if (!is.data.frame(markers)) {
                 each_levels <- names(markers)
                 markers <- do_call(rbind, lapply(each_levels, function(x) {
                     markers_df <- markers[[x]]
+                    if (is.null(markers_df) || nrow(markers_df) == 0) {
+                        return(NULL)
+                    }
                     if (nrow(markers_df) > 0) {
                         markers_df[[each]] <- x
                     } else {
@@ -556,17 +565,17 @@ run_case <- function(name) {
             }
             # gene, p_val, avg_log2FC, pct.1, pct.2, p_val_adj, diff_pct, <each>
 
+            if (!is.data.frame(allexprs)) {
+                meta <- do_call(rbind, lapply(allexprs, attr, "meta"))
+                allexprs <- do_call(cbind, allexprs)
+            } else {
+                meta <- attr(allexprs, "meta")
+            }
+
             if (length(allmarker_plots) > 0) {
-                log$info("- Visualizing all DEGs together ...")
-                exprs <- AggregateExpressionPseudobulk(
-                    srtobj, aggregate_by = aggregate_by, layer = layer, assay = assay,
-                    subset = original_subset, log = log
-                )
-                attr(markers, "object") <- AggregateExpressionPseudobulk(
-                    srtobj, aggregate_by = aggregate_by, layer = layer, assay = assay,
-                    subset = original_subset, log = log
-                )
-                attr(markers, "meta") <- attr(exprs, "meta")
+                log$info("Visualizing all DEGs together ...")
+                attr(markers, "object") <- allexprs
+                attr(markers, "meta") <- meta
                 attr(markers, "group_by") <- each
                 attr(markers, "paired_by") <- paired_by
                 attr(markers, "ident_1") <- NULL
@@ -575,18 +584,21 @@ run_case <- function(name) {
             }
 
             if (length(overlaps) > 0) {
-                log$info("- Visualizing overlaps between subcases ...")
+                log$info("Visualizing overlaps between subcases ...")
                 process_overlaps(markers, overlaps, name, each)
             }
 
         }
 
-        if (!is.null(enriches)) {
-            log$info("- Summarizing enrichments in subcases (by each: {each}) ...")
+        if (!is.null(enriches) && length(enriches) > 0) {
+            log$info("Summarizing enrichments in subcases (by each: {each}) ...")
             if (!is.data.frame(enriches)) {
                 each_levels <- names(enriches)
                 enriches <- do_call(rbind, lapply(each_levels, function(x) {
                     enrich_df <- enriches[[x]]
+                    if (is.null(enrich_df) || nrow(enrich_df) == 0) {
+                        return(NULL)
+                    }
                     if (nrow(enrich_df) > 0) {
                         enrich_df[[each]] <- x
                     } else {
@@ -594,11 +606,13 @@ run_case <- function(name) {
                     }
                     enrich_df
                 }))
-                enriches[[each]] <- factor(enriches[[each]], levels = each_levels)
+                if (!is.null(enriches) && nrow(enriches) > 0) {
+                    enriches[[each]] <- factor(enriches[[each]], levels = each_levels)
+                }
             }
 
-            if (length(allenrich_plots) > 0) {
-                log$info("- Visualizing all enrichments together ...")
+            if (length(allenrich_plots) > 0 && !is.null(enriches) && nrow(enriches) > 0) {
+                log$info("Visualizing all enrichments together ...")
                 process_allenriches(enriches, allenrich_plots, name, each)
             }
         }
@@ -615,7 +629,8 @@ run_case <- function(name) {
         {
             RunDEGAnalysis(
                 exprs, group_by = group_by, ident_1 = ident_1, ident_2 = ident_2,
-                paired_by = paired_by, tool = tool, log = log
+                paired_by = paired_by, tool = tool, log = log, ncores = ncores,
+                cache = cache
             )
         }, error = function(e) {
             if (error) {
@@ -646,9 +661,12 @@ run_case <- function(name) {
     ))
 
     if (!is.null(original_case) && !is.null(cases[[original_case]])) {
-        markers[[each_name]] <- each
+        if (!is.null(markers)) {
+            markers[[each_name]] <- each
+        }
         cases[[original_case]]$markers[[each]] <<- markers
         cases[[original_case]]$enriches[[each]] <<- enrich
+        cases[[original_case]]$allexprs[[each]] <<- exprs
     }
 
     invisible()

biopipen/scripts/scrna/ScFGSEA.R

@@ -82,13 +82,13 @@ expand_each <- function(name, case) {
         }
 
         if (length(cases) == 0 && name == "GSEA") {
-            name <- case$each
+            prefix <- case$each
         } else {
-            name <- paste0(name, " (", case$each, ")")
+            prefix <- paste0(name, " (", case$each, ")")
         }
 
         for (each in eachs) {
-            newname <- paste0(name, "::", each)
+            newname <- paste0(prefix, "::", each)
             newcase <- case
 
             newcase$original_case <- paste0(name, " (all ", case$each,")")
@@ -144,6 +144,11 @@ do_case <- function(name) {
 
     if (!is.null(case$gseas)) {
 
+        if (length(case$gseas) == 0) {
+            log$warn("  No GSEA results found for case {name}. Skipping.")
+            return(invisible(NULL))
+        }
+
         each_levels <- names(case$gseas)
         gseas <- do_call(rbind, lapply(each_levels, function(x) {
             gsea_df <- case$gseas[[x]]
@@ -242,25 +247,16 @@ do_case <- function(name) {
         quote = FALSE
     )
     if (all(is.na(ranks))) {
-        if (length(allclasses) < 100) {
-            log$warn("  Ignoring this case because all gene ranks are NA and there are <100 cells.")
-            reporter$add2(
-                list(
-                    kind = "error",
-                    content = paste0("Not enough cells (n = ", length(allclasses), ") to run fgsea.")
-                ),
-                hs = c(info$section, info$name)
-            )
-            return(NULL)
-        } else {
-            stop(paste0(
-                "All gene ranks are NA (# cells = ",
-                length(allclasses),
-                "). ",
-                "It's probably due to high missing rate in the data. ",
-                "You may want to try a different `envs$method` for pre-ranking."
-            ))
-        }
+        log$warn("  All gene ranks are NA. It's probably due to high missing rate in the data.")
+        log$warn("  Case ignored, you may also try a different ranking method.")
+        reporter$add2(
+            list(
+                kind = "error",
+                content = "All gene ranks are NA. It's probably due to high missing rate in the data."
+            ),
+            hs = c(info$section, info$name)
+        )
+        return(invisible(NULL))
     }
 
     # run fgsea

{biopipen-0.34.7.dist-info → biopipen-0.34.8.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.3
 Name: biopipen
-Version: 0.34.7
+Version: 0.34.8
 Summary: Bioinformatics processes/pipelines that can be run from `pipen run`
 License: MIT
 Author: pwwang

{biopipen-0.34.7.dist-info → biopipen-0.34.8.dist-info}/RECORD

@@ -1,4 +1,4 @@
-biopipen/__init__.py,sha256=vVRUKRt0zUNKxfGQQE5WrQiVWQ-bg4UrgyEGX7LclcA,23
+biopipen/__init__.py,sha256=R2kKZIbRrNhrmdllokG5_J0gtqktdwFV00CiImolksE,23
 biopipen/core/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 biopipen/core/config.py,sha256=edK5xnDhM8j27srDzsxubi934NMrglLoKrdcC8qsEPk,1069
 biopipen/core/config.toml,sha256=lZV_vbYWk6uqm19ZWJcsZCcSNqAdIfN2fOfamzxZpg4,2148
@@ -22,7 +22,7 @@ biopipen/ns/plot.py,sha256=N41_izb6zi-XArUly5WhLebapNXbTNSgGlOCCwtrDlY,18282
 biopipen/ns/protein.py,sha256=YJtlKoHI2p5yHdxKeQnNtm5QrbxDGOq1UXOdt_7tlTs,6391
 biopipen/ns/regulatory.py,sha256=gJjGVpJrdv-rg2t5UjK4AGuvtLNymaNYNvoD8PhlbvE,15929
 biopipen/ns/rnaseq.py,sha256=bKAa6friFWof4yDTWZQahm1MS-lrdetO1GqDKdfxXYc,7708
-biopipen/ns/scrna.py,sha256=ELhCbY2Vu8qHmDHlrI32gyaOxDO2ugFLz4WIV9kARfQ,144750
+biopipen/ns/scrna.py,sha256=4dqgsj1cQGFWsJbrbdVF6ElaELmLBg76RlqqGmsW1iA,145087
 biopipen/ns/scrna_metabolic_landscape.py,sha256=EwLMrsj_pTqvyAgtHLoishjQxCg_j8n5OofuTofUph0,22096
 biopipen/ns/snp.py,sha256=iXWrw7Lmhf4_ct57HGT7JGTClCXUD4sZ2FzOgsC2pTg,28123
 biopipen/ns/stats.py,sha256=DlPyK5Vsg6ZEkV9SDS3aAw21eXzvOHgqeZDkXPhg7go,20509
@@ -155,13 +155,13 @@ biopipen/scripts/scrna/ExprImputation-rmagic.R,sha256=ePgbMZ_3bKbeUrjsMdkdtBM_MS
 biopipen/scripts/scrna/ExprImputation-scimpute.R,sha256=MI_bYfvCDKJsuGntUxfx_-NdrssBoQgL95-DGwJVE5s,1191
 biopipen/scripts/scrna/ExprImputation.R,sha256=GcdZJpkDpq88hRQjtLZY5-byp8V43stEFm5T-pQbU6A,319
 biopipen/scripts/scrna/LoomTo10X.R,sha256=c6F0p1udsL5UOlb84-53K5BsjSDWkdFyYTt5NQmlIec,1059
-biopipen/scripts/scrna/MarkersFinder.R,sha256=A-YCJ2WogU2QR8PqVn71lXCP63Vq1sMyAAIhqZYYawg,24278
+biopipen/scripts/scrna/MarkersFinder.R,sha256=-W0rwS4IlR6DsY9gzGBgBN3aYD_7Tyseg2e8mxM6xA0,24796
 biopipen/scripts/scrna/MetaMarkers.R,sha256=BgYaWYEj6obwqaZaDWqNPtxb1IEEAnXAeBE0Ji9PvBA,12426
 biopipen/scripts/scrna/ModuleScoreCalculator.R,sha256=-tByCPk7i070LynAb0z2ANeRxr1QqiKP0dfrJm52jH4,4198
-biopipen/scripts/scrna/PseudoBulkDEG.R,sha256=Y5OuVCaIIppBqMxxXM3HpJQk5kA42wSgbBBIC1Rr1s0,24608
+biopipen/scripts/scrna/PseudoBulkDEG.R,sha256=IuM4hl-KHZ5aaaTqZeylw4b1ZenMZaY4qobD5qxAlHs,25199
 biopipen/scripts/scrna/RadarPlots.R,sha256=Kn1E-hpczuujpgNjR8MqeIIVN-S3PbpmfcKWGKcNCVY,14546
 biopipen/scripts/scrna/SCImpute.R,sha256=dSJOHhmJ3x_72LBRXT72dbCti5oiB85CJ-OjWtqONbk,2958
-biopipen/scripts/scrna/ScFGSEA.R,sha256=EyRbsH5d1daIxtOHjYz24Udmv1PhV0nUC9HqEtzRnpE,11584
+biopipen/scripts/scrna/ScFGSEA.R,sha256=Q3_fmVy1OGan_EHo6EHgoHa6Zgfl_i0wUv_KrwammCo,11440
 biopipen/scripts/scrna/ScSimulation.R,sha256=q0-dXD9px1cApc_TxGmR-OdNHE8W1VSVWfSI57B96bo,1697
 biopipen/scripts/scrna/ScVelo.py,sha256=SPUZFgZW1Zhw-bnjJo98RK0vpuNFODQ8Q3eTguNc84k,21359
 biopipen/scripts/scrna/Seurat2AnnData.R,sha256=F8g5n2CqX4-KBggxd8ittz8TejYuqqNLMudAHdFt1QM,184
@@ -284,7 +284,7 @@ biopipen/utils/misc.py,sha256=pDZ-INWVNqHuXYvcjmu8KqNAigkh2lsHy0BxX44CPvc,4048
 biopipen/utils/reference.py,sha256=Oc6IlA1giLxymAuI7DO-IQLHQ7-DbsWzOQE86oTDfMU,5955
 biopipen/utils/reporter.py,sha256=VwLl6xyVDWnGY7NEXyqBlkW8expKJoNQ5iTyZSELf5c,4922
 biopipen/utils/vcf.py,sha256=MmMbAtLUcKPp02jUdk9TzuET2gWSeoWn7xgoOXFysK0,9393
-biopipen-0.34.7.dist-info/METADATA,sha256=uR3Q2oygeFSoT96Lp0wQGCcigCJGaIyzbYzdJ2wlWVw,975
-biopipen-0.34.7.dist-info/WHEEL,sha256=b4K_helf-jlQoXBBETfwnf4B04YC67LOev0jo4fX5m8,88
-biopipen-0.34.7.dist-info/entry_points.txt,sha256=BYqHGBQJxyFDNLYqgH64ycI5PYwnlqwYcCFsMvJgzAU,653
-biopipen-0.34.7.dist-info/RECORD,,
+biopipen-0.34.8.dist-info/METADATA,sha256=uEU4Tv61Ui1QMIK5aUfQJIu4beg4mYyWwhfZ2IQ9M04,975
+biopipen-0.34.8.dist-info/WHEEL,sha256=b4K_helf-jlQoXBBETfwnf4B04YC67LOev0jo4fX5m8,88
+biopipen-0.34.8.dist-info/entry_points.txt,sha256=BYqHGBQJxyFDNLYqgH64ycI5PYwnlqwYcCFsMvJgzAU,653
+biopipen-0.34.8.dist-info/RECORD,,