From 5011251f25cd3f6442d8b5af4823e922af790edc Mon Sep 17 00:00:00 2001 From: Ali Sajid Imami <395482+AliSajid@users.noreply.github.com> Date: Sun, 23 Jun 2024 22:38:06 -0400 Subject: [PATCH 01/12] feat: remove the old vignettes Signed-off-by: Ali Sajid Imami <395482+AliSajid@users.noreply.github.com> --- vignettes/KRSA.Rmd | 418 ------------------ .../data_files/example_Median_SigmBg.txt | 159 ------- .../data_files/example_Signal_Saturation.txt | 159 ------- vignettes/enrichr/enrichr.Rmd | 62 --- vignettes/images/pamgene_detectionFig.png | Bin 219231 -> 0 bytes vignettes/images/pamgene_workflow.png | Bin 132459 -> 0 bytes 6 files changed, 798 deletions(-) delete mode 100644 vignettes/KRSA.Rmd delete mode 100755 vignettes/data_files/example_Median_SigmBg.txt delete mode 100755 vignettes/data_files/example_Signal_Saturation.txt delete mode 100644 vignettes/enrichr/enrichr.Rmd delete mode 100644 vignettes/images/pamgene_detectionFig.png delete mode 100644 vignettes/images/pamgene_workflow.png diff --git a/vignettes/KRSA.Rmd b/vignettes/KRSA.Rmd deleted file mode 100644 index 85ad082..0000000 --- a/vignettes/KRSA.Rmd +++ /dev/null @@ -1,418 +0,0 @@ ---- -title: "KRSA Vignette" -output: rmarkdown::html_vignette -vignette: > - %\VignetteIndexEntry{KRSA Vignette} - %\VignetteEngine{knitr::rmarkdown} - %\VignetteEncoding{UTF-8} ---- - -```{r, include = FALSE} -knitr::opts_chunk$set( - collapse = TRUE, - comment = "#>" -) -``` - -```{r setup} -library(KRSA) -library(knitr) -library(tidyverse) - -library(gt) # can be used to view tables -library(furrr) # can be used for parallel computing -``` - -# Introduction - -## Background - -The Pamstation12 instrument provides a profiling of kinase activity of cell or tissue samples. The device is loaded with either serine/threonine or tyrosine microarray chips. Each chip has 4 wells so four samples can be loaded on a single chip, and the Pamstation12 can accommodate 3 chips per run. The microarray represents 144 (STK chip) or 196 (PTK chip) reporter peptides that can be phosphorylated by serine/threonine or tyrosine kinases. The device measures the degree of the phosphorylation in real time by detecting fluorescently labeled antibodies at different exposure times. The list of peptides present in each microarray can be viewed here: [STK chip](https://pamgene.com/wp-content/uploads/2020/09/STK-144-PamChip-87102.pdf), [PTK chip](https://pamgene.com/wp-content/uploads/2020/09/PTK-196-PamChip-86402.pdf) - -\newpage - -```{r, echo=T,out.width = "400px",out.width="450px", fig.align='center', cache=TRUE} -knitr::include_graphics("images/pamgene_workflow.png") -knitr::include_graphics("images/pamgene_detectionFig.png") -``` - -\newpage - -## Run Design - -Designing the placement of the samples on the chips and arrays is important to consider due to the variability across different chips and batches. During the run some wells are subject to fail and their data cannot be analyzed and shown below as red. - -```{r design, echo=T, fig.width=3, fig.height=3, fig.align="center", cache=TRUE} -tt <- tibble( - num = rep(c(3.5, 2.5, 1.5, 0.5), 3), - chips = rep(c(2, 5, 8), each = 4), - colr = c(rep(1, 12)), - nms = rep(c("A", "B", "C", "D"), 3) -) -rundes <- ggplot() + - geom_rect(aes(xmin = 1, xmax = 3, ymin = 0, ymax = 4), fill = "gray30") + - geom_rect(aes(xmin = 4, xmax = 6, ymin = 0, ymax = 4), fill = "gray30") + - geom_rect(aes(xmin = 7, xmax = 9, ymin = 0, ymax = 4), fill = "gray30") + - xlim(0, 10) + - theme_void() - -rundes + geom_point(data = tt, aes(chips, num, color = factor(colr)), size = 13, show.legend = F) + - geom_text(data = tt, aes(chips, num, label = nms), size = 2) + - scale_color_manual(values = c("green3", "red3")) -``` - -\newpage - -# Results - -## Image Analysis - -The first step of analyzing the run is to convert the images taken by the PamStation of each array at different exposure times to numerical values This is done by the Bionavigator software developed by Pamgene. The software recognizes the grid of the array with the aid of the searching algorithm (Pamgrid) to correctly identify each spot on the array. The numbers produced by this software represent the median value of the foreground pixels minus the median value of the background pixels to produce the median signal minus background (Median_SigmBg). - -## Reading Data - -The first step will be reading the crosstab view bionavigator files (Median_SigmBg and Signal_Saturation) and defining the PamChip type (STK or PTK). The raw data is read and then transformed to be in tidy format for an easier analysis, modeling, and visualizing. - -```{r readData, include=T, cache=TRUE} -# Define chip type -chipType <- "STK" - -# Read crosstab view bionavigator files and tidy data -data <- krsa_read("data_files/example_Median_SigmBg.txt", "data_files/example_Signal_Saturation.txt") -``` - -## QC Initial Steps and Groups Assignments - -We will perform a couple of quality control steps to deal with negative values in the data and adjust based on signal saturation (optional). Next, we will define a new column to represent the grouping. And then, we will extract end point signal values - -```{r qcSteps, include=T, cache=TRUE} -# qc processing -krsa_qc_steps(data) -> data - -# Define sample groups -data %>% mutate(Group = SampleName, SampleName = paste0(SampleName, "_", Barcode)) -> data - -# extract end level signal values @ all max exposure time (200ms) -krsa_extractEndPointMaxExp(data, chipType) -> data_pw_200 - -# extract end level signal values end level @ all exposure times -krsa_extractEndPoint(data, chipType) -> data_pw -``` - -## QC Steps and Model Fitting - -We will filter out peptides with low signals. In order to combine the values from different exposure times into a single value, a simple linear regression model of the *Medain_SigmBg* as a function of exposure time is fitted. The slope of of the model fit and $R^2$ are then used for quality control and samples comparison. The slope is also scaled by multiplying by 100 and log2 transformed (*Slope_Transformed*). We then filter out peptides with poor linear fit and references peptides. - -```{r model, warning=F,include=T, cache=TRUE} -# Filter out peptides with low signals -krsa_filter_lowPeps(data_pw_200, 5) -> ppPassAll - -# Fit the linear model -# This will produce a list of data frames: -# scaled: the Slope_Transformed values (see above for more info on Slope_Transformed) -# normalized: the Slope_Transformed values but normalized by Chip/Barcode -# Grouped: The mean of Slope_Transformed values for all samples within a group -krsa_scaleModel(data_pw, ppPassAll) -> data_modeled - -# Filter out peptides weak linear fit -krsa_filter_nonLinear(data_modeled$scaled, 0.8) -> ppPassR2 - -# Filter out reference peptides -krsa_filter_ref_pep(ppPassR2) -> new_pep -``` - -## Global Signal Intensity - -For a global signal intensity across all samples/groups, few figures can be plotted based on the *Slope_Transformed* values. - -### Global CV Plots - -We will plot the coefficient of variation on both the normal and normalized fits. This will help us to identify groups with high variation that could be explained by sample outliers. - -```{r cvPlot, echo=T,fig.height=8, fig.width=8, fig.align="center", cache=TRUE} -# Plot a CV figure using the modeled scaled data -krsa_cv_plot(data_modeled$scaled, new_pep) - -# Plot a CV figure using the modeled normalized data -krsa_cv_plot(data_modeled$normalized, new_pep) -``` - -### Global Violin Plots - -We will plot violin figures to examine global signal differences between groups/samples. - -```{r violinPlot, echo=T,fig.height=8, fig.width=8, fig.align="center", cache=TRUE} -# Plot a violin figure and facet by the (Group) variable -krsa_violin_plot(data_modeled$scaled, new_pep, "Group") - -# Plot a violin figure and facet by the (Barcode) variable -krsa_violin_plot(data_modeled$scaled, new_pep, "Barcode") -``` - -### Global Heatmaps - -The heatmap represent all the peptides present on the chip except the positive/internal controls and peptides that failed to pass QC. The heatmaps are scaled by row to highlight the peptide signal differences across the samples. A hierarchical unsupervised clustering is applied both on the peptides and the samples to potentially group similar signatures. - -```{r heatmapPlot, echo=T,fig.height=8, fig.width=8, fig.align="center", cache=TRUE} -# Generates a heatmap using the modeled scaled data -krsa_heatmap(data_modeled$scaled, new_pep, scale = "row") - -# Generates a heatmap using the modeled normalized data -krsa_heatmap(data_modeled$normalized, new_pep, scale = "row") - -# Generates a heatmap using the modeled grouped data -krsa_heatmap_grouped(data_modeled$grouped, new_pep, scale = "row") -``` - -## Group Comparison - -To compare between samples, a two-group comparison is performed. In this case, the two group comparisons are: - -- **B vs A** - -The *Slope_Transforemed* ratio between each group, paired by chip, is calculated to the fold change. Based on the fold change, peptides that pass a certain fold change threshold are considered significant hits. Also, quality control steps applied in each comparison to filter out peptides that do not reach specific criteria: - -- The *Medain_SigmBg* at max exposure *200ms* must be above a certain value\ -- $R^2$ of the linear model fit must be above a threshold value - -These *Filtering Parameters* (fold change threshold, QC criteria) can be modified to adjust the stringency of the analysis. The *Filtering Parameters* that are used for this analysis: - -- The *Medain_SigmBg* at max exposure *200ms* must be equal or above 5\ -- $R^2$ of the linear model fit must be above or equal 0.8\ -- Log fold change (LFC) cutoffs at (0.2,0.3) - -```{r groupDiff,echo=T, fig.height=8,fig.width=8,fig.align="center", cache=TRUE} -# Define Groups to be compared -comparisons <- list(Comp1 = c("B", "A")) - -# This function will run both QC steps (krsa_filter_lowPeps, krsa_filter_nonLinear) and krsa_filter_ref_pep -krsa_quick_filter( - data = data_pw_200, data2 = data_modeled$scaled, - signal_threshold = 5, r2_threshold = 0.9, - groups = comparisons$Comp1 -) -> pep_passed_qc - -# This function calculates log2 fold change values between the defined groups -# The byChip argument lets you calculates the log2 fold change the results within each chip -krsa_group_diff(data_modeled$scaled, comparisons$Comp1, pep_passed_qc, byChip = T) -> diff_df - -# save LFC table -# write_delim(diff_df, "comp1_LFC_df.txt", delim = "\t") - -# Extract top peptides based on the LFC cutoff using average of LFCs across chips -krsa_get_diff(diff_df %>% mutate(LFC_SD = 0), LFC, c(0.2, 0.3, 0.4)) %>% list("meanLFC" = .) -> sigPeps - -# Extract top peptides based on the LFC cutoff using average of LFCs across chips with a standard deviation cutoff (sd_thr). in this example the sd_thr is set as 0.5 but that could be adjusted by user (uncomment next line to account for LFC sd) -# krsa_get_diff(diff_df,totalMeanLFC ,c(0.2,0.3), sd_thr = 0.5) %>% list("meanLFC" = .) -> sigPeps - -# Extract top peptides based on the LFC cutoff using per chip LFCs -krsa_get_diff_byChip(diff_df, LFC, c(0.2, 0.3)) -> sigPepsPerChip - -# Combine the peptides hits in one list -sigPeps_total <- list(sigPeps, sigPepsPerChip) %>% - unlist(recursive = F) %>% - unlist(recursive = F) -``` - -\newpage - -### B vs A (Heatmap) - -After applying the *Filtering Parameters* for this group comparison, only *`r length(sigPeps$meanLFC[["0.2"]])`*/141 peptides carried forward in the analysis (i.e. *`r length(sigPeps$meanLFC[["0.2"]])` hits*). Below are some figures to visualize the differences between these samples for considering these *hits*. - -```{r heatmapInd,echo=T, fig.align="center", fig.height=8, fig.width=8, cache=TRUE} -# generates a heatmap using the selected groups and peptides -krsa_heatmap(data_modeled$normalized, sigPeps$meanLFC$`0.2`, groups = comparisons$Comp1, scale = "row") -``` - -\newpage - -### B vs A (Violin Plot) - -```{r violinIndPlot,echo=T, fig.align="center", fig.height=8, fig.width=8, cache=TRUE, message=FALSE} -# generates a violin plot using the selected groups and peptides -krsa_violin_plot(data_modeled$scaled, sigPeps$meanLFC$`0.2`, "Barcode", groups = comparisons$Comp1) - -# generate a grouped violin/boxplot plot using the selected groups and peptides with more options, like a statistical test. check krsa_violin_plot_grouped() arguments for more options -krsa_violin_plot_grouped(data_modeled$scaled, sigPeps$meanLFC$`0.2`, comparisons, - dots = F, - groups = comparisons$Comp1, avg_line = T -) - - -krsa_violin_plot_grouped(data_modeled$grouped, sigPeps$meanLFC$`0.2`, comparisons, - test = F, - groups = comparisons$Comp1, avg_line = T -) -``` - -\newpage - -### B vs A (Waterfall Plot) - -This waterfall represents the log2 fold changes between the two groups at each peptide. - -```{r waterfall, echo=T, fig.align="center", fig.height=8,fig.width=8, cache=TRUE} -# generates a waterfall of the log2 fold change values for the selected peptide (top peptides) -krsa_waterfall(diff_df, lfc_thr = 0.2, byChip = T) - -# generates a waterfall of the log2 fold change values for the selected peptide (top peptides) with a standard deviation cutoff (sd_thr). This is just for the waterfall not the actual upstream kinase analysis (that must be set with the krsa_get_diff function) -krsa_waterfall(diff_df, lfc_thr = 0.2, byChip = T, sd_thr = 0.5) -``` - -\newpage - -### B vs A (Curve Plot) - -We generate curves plots per peptide using the last cycle data to visualize the linear fit model - -```{r curvePlot, echo=T,fig.align="center", fig.height=8, fig.width=8, cache=TRUE} -# generates a curve plot representing the linear model fit for the selected peptide (top peptides, only showing 10 here) -krsa_curve_plot(data_pw, sigPeps$meanLFC$`0.2`[1:10], groups = comparisons$Comp1) -``` - -### B vs A (Upstream Kinase Analysis) - -The lab carefully curated and mapped the kinases that can act and phosphorylate each peptide present on the chip. This was achieved by using multiple sources including GPS 3.0, Kinexus Phosphonet, PhosphoELM and PhosphoSite Plus. Based on that association between peptides and kinases, a random sampling analysis is performed for these hits. The basic idea of *KRSA* is: For each iteration (*2000* iterations performed in this analysis), the same number of hits are randomly selected from the total 141/or 193 peptides present on the chip. Predicted kinases are then mapped to this sample list of peptides and number of kinases are determined. The kinase count from the actual hits and random sampling is then compared to determine the significance. - -```{r krsa, echo=T, warning=F, message=FALSE, fig.align="center", fig.height=8, fig.width=8, cache=TRUE} -# load in chip coverage and kinase-substrate files OR upload your own files -# if PTK chip, use: -# chipCov <- KRSA_coverage_PTK_PamChip_86402_v1 -# KRSA_file <- KRSA_Mapping_PTK_PamChip_86402_v1 - -# STK chip -chipCov <- KRSA_coverage_STK_PamChip_87102_v1 -KRSA_file <- KRSA_Mapping_STK_PamChip_87102_v1 - - - -# run the KRSA function to do the random sampling analysis, set seed that can be used later to reproduce results, and choose number of iterations -krsa(sigPeps$meanLFC$`0.2`, - return_count = T, seed = 123, itr = 2000, - map_file = KRSA_file, cov_file = chipCov -) -> fin - -# View the Z score table -kable(head(fin$KRSA_Table, 25), digits = 3) - -# to save file -# fin$KRSA_Table %>% write_delim("acrossChip_KRSA_FullTable_comp1.txt", delim = "\t") - -# find top and bottom kinases -bothways <- c(pull(head(fin$KRSA_Table, 10), Kinase), pull(tail(fin$KRSA_Table, 10), Kinase)) - -# Use these kinase to generate histogram plots for each selected kinase -krsa_histogram_plot(fin$KRSA_Table, fin$count_mtx, bothways) - - -# For parallel computing, load the furrr package: -# opens multiple R sessions to run faster -plan(multisession) - -# Run the KRSA function across the different sets of peptides using the furrr package for parallel computing -future_map(sigPeps_total, krsa) -> mutiple_krsa_outputs - - -# For none parallel computing: -# Run KRSA function across the different sets of peptides -# map(sigPeps_total, krsa) -> mutiple_krsa_outputs - -# Tidy output -df <- data.frame(matrix(unlist(mutiple_krsa_outputs), ncol = max(lengths(mutiple_krsa_outputs)), byrow = TRUE)) -df <- setNames(do.call(rbind.data.frame, mutiple_krsa_outputs), names(mutiple_krsa_outputs$meanLFC.0.2)) - -df %>% - rownames_to_column("method") %>% - select(Kinase, Z, method) %>% - mutate(method = str_extract(method, "\\w+\\.\\w+\\.\\w+")) %>% - mutate(method = gsub("(^\\w+)[\\.]", "\\1>", method)) %>% - mutate_if(is.numeric, round, 2) -> df - -df %>% - pivot_wider(names_from = method, values_from = Z) -> df2 - -# Generates a table of the Z scores across the different sets of peptides -# df2 %>% -# gt() %>% tab_spanner_delim(delim = ">") - -# Creates an average Z score table using the across chip analysis -df %>% - filter(grepl("mean", method)) %>% - select(Kinase, Z, method) %>% - group_by(Kinase) %>% - mutate(AvgZ = mean(Z)) -> AvgZTable - -# save file -# AvgZTable %>% write_delim("acrossChip_KRSA_Table_comp1.txt", delim = "\t") - -# Creates an average Z score table using the within chip analysis -df %>% - filter(!grepl("mean", method)) %>% - select(Kinase, Z, method) %>% - group_by(Kinase) %>% - mutate(AvgZ = mean(Z)) -> AvgZTable2 - -# save file -# AvgZTable %>% write_delim("withinChip_KRSA_Table_comp1.txt", delim = "\t") - -# Extract top kinases based on abs(Z) score -krsa_top_hits(AvgZTable2, 2) -> kinases_hits - -# krsa_top_hits(AvgZTable2, 1.75) -# krsa_top_hits(AvgZTable2, 1.5) - -# Show the number of peptides per each set in atable -krsa_show_peptides(sigPeps_total) -``` - -\newpage - -### B vs A (Z Scores Plot) - -We will plot the individual and averaged Z scores using both the across and within chip analyses. - -```{r zscoresPlot, echo=T, warning=F, fig.align="center", fig.height=10,fig.width=8, cache=TRUE} -# Generates Z scores waterfall plots -krsa_zscores_plot(AvgZTable) -krsa_zscores_plot(AvgZTable2) -``` - -\newpage - -### B vs A (Reverse KRSA Plot) - -We will use the reverse KRSA plot function, to plot the log2 fold chnage values for all peptides mapped to kinase hits. This will help us examine the activity of the kinase - -```{r revKRSAPlot, echo=T, warning=F, fig.align="center", fig.height=8, fig.width=8, cache=TRUE} -# plot the reverse KRSA figure for top kinases to determine their activity levels -krsa_reverse_krsa_plot(chipCov, diff_df, kinases_hits, 0.2, byChip = F) -``` - -\newpage - -### B vs A (Coverage Plot) - -To view the coverage of kinases across the full list of peptides on the chip, we will use the coverage plot function - -```{r covPlot, echo=T, fig.align="center", fig.height=10,fig.width=8, cache=TRUE} -# generates a kinase covergae plot -krsa_coverage_plot(chipCov, AvgZTable2, chipType) -``` - -\newpage - -### B vs A (Ball Model Network) - -We will view the ball model network function, to generate a model representing the protein-protein interactions between kinases - -```{r netPlot, echo=T, fig.align="center", fig.height=10,fig.width=8, message=FALSE, cache=TRUE} -# Plot the network ball model -krsa_ball_model(kinases_hits, AvgZTable2, 10, 2.5, 4.8) -``` - -#### Session Info - -```{r} -installed.packages()[names(sessionInfo()$otherPkgs), "Version"] -``` diff --git a/vignettes/data_files/example_Median_SigmBg.txt b/vignettes/data_files/example_Median_SigmBg.txt deleted file mode 100755 index a21a3e1..0000000 --- a/vignettes/data_files/example_Median_SigmBg.txt +++ /dev/null @@ -1,159 +0,0 @@ -BioNavigator Version 6.3.67.0 PamGrid Version QuantitationType Median_SigmBg Protocol file name Image Analysis_STKDate "Tue, 26 Jan 2021 17:25:25 GMT" - Barcode 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 710317402 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and Enrichr" ---- - -```{r, include = FALSE} -knitr::opts_chunk$set( - collapse = TRUE, - comment = "#>" -) -``` - -```{r setup} -library(KRSA) -library(knitr) -library(tidyverse) -``` - -# Using Enrichr and KRSA - -You can perform gene set enrichment analysis using Enrichr by using either a set of PamChip peptide IDs or gene symbols. - - -# Using Peptide IDs - -```{r, echo=T,out.width = "400px",out.width="450px", fig.align='center', cache=TRUE} -example_peptide_list <- c("ACM5_494_506", "ADDB_696_708", "ADRB2_338_350", "ANXA1_209_221") - -enrichr_results <- krsa_enrichr(peptides = example_peptide_list) - - -head(enrichr_results, 10) -``` - - - -## Using Gene Symbols - -Alternatively, the input coould be gene symbols instead of peptide ids: - - -```{r, echo=T,out.width = "400px",out.width="450px", fig.align='center', cache=TRUE} -enrichr_results_genes <- krsa_enrichr(genes = c("AKT1", "AKT2", "AKTe")) - - -head(enrichr_results_genes, 10) -``` - - -# Visualization - -The results could be plotted using the *krsa_enrichr_plot* function: - -```{r plot, echo=T, fig.width=10, fig.height=8, fig.align="center", cache=TRUE} -krsa_enrichr_plot(enrichr_results) -``` - - -Showing only top 5 terms per library: -` -```{r plot2, echo=T, fig.width=10, fig.height=8, fig.align="center", cache=TRUE} -krsa_enrichr_plot(enrichr_results, terms_to_plot = 5) -``` diff --git a/vignettes/images/pamgene_detectionFig.png b/vignettes/images/pamgene_detectionFig.png deleted file mode 100644 index 224daee7f688aecf5b09dfe1e4e86f11f9f76c3d..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 219231 zcmeFYb8scyz5p8A6Whilnb@{%+qP|66HGD_+nm@F+qSK@Gv9gV-l|u1&fl-b0l4$hMI;6U1Se%7BqT2(Bt$6h zXlH6+Z2|-&9+9F3sjf7Po~xxOVIBY_4&4!P{XmF4x3&2hjN((*6?^j&E% zN%BTs2k4qCq&7GlX@0lf8T|4-Dl7D zuE<<|$^%gUKA~)?_?sJ|cW9vYWQG(p5dPZ$&l8OhMY3F&ngBR*s2b&ny18cM2ocLy)3bi>AkE~0MROXylhi{@pJ zAsh(8sX=Md((jU6c&EYa8AM=Da4wAnHydP=?NqaL%5Y~;S5Cht6SHMhY;{qgIEFpx 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z!1=$r4d~6JXl)idI=W{ML%p7s`c<>66(~5@rtMkV$POw(W%WxH&y0e2uj0b&lSI0$ z00Ezkw+Y_0A8NycLMWLZ8~d*V+?GYBcPd#!Am)d5in&rRUjPVkELHk0(i1m{9=pk}^)YS^xbXw}?`uI6C;z+)u{&9+e8F@ZP1 zUAJtAI8S2j$~3ZO(CF~y-rHX?boOO4Og@RXF{|)?pL1VTlWpOxsnZ3@l6I8jj&f7T z;hnHe73bOJoLki?FmIf{0K*MXq`fjd)^uYmZ#24PKmzjo-9oN+CutP#&Dr1m5SQZO z$73#V6_0B*rH3FIUN`_#`34uS=>iJY_m9$ky3dUqwg^nohBzeDWze4OVn_E5mV5Ck zTH$IPR7#z)cTG~KBP0skbqvI`&MWtmxl>j^Z)@tTca%(}l?|oKakqyzyJv ztL{A!nGaQ&%!_iY>H}+Eujr>nDU7rW>Q|eXI(-Y%fB!g2Cq>*V(W_+Q6!NX3ptseQ z(-*ntiVyNm!YZNtd1Z0M7WpQ#~kXTAknn%*Ay$zMYfs6Dx8f}EMc z3;~jWUYZDc#n@m z$naZ7Ga&so2(q?@bRSPNOxMIbtykatX8h9dk-aD|md3z=J8rHSs5)i`Dc($?a^=XB z1G!OPksnVHBJ8(q{Y7blwC>d61Un`^=FdeCck10mC?fyazV=IVK+hqkx%I$>YGF-T$=s+XcXsJ3k<&@DpH(fhNUC>=n~Qhbs2-#75zWqehrEDodj zr3-(Sqe2ChO$lfI*%J9{nF(LO5vbs-jsGm?XZ+56`sX8L2ab?Pb1?ePazr9 Date: Sun, 23 Jun 2024 22:38:06 -0400 Subject: [PATCH 02/12] =?UTF-8?q?Bump=20version:=201.99.2=20=E2=86=92=201.?= =?UTF-8?q?99.3?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- .bumpversion.cfg | 2 +- DESCRIPTION | 2 +- codemeta.json | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/.bumpversion.cfg b/.bumpversion.cfg index 49f7bab..ec38860 100644 --- a/.bumpversion.cfg +++ b/.bumpversion.cfg @@ -1,5 +1,5 @@ [bumpversion] -current_version = 1.99.2 +current_version = 1.99.3 commit = True commit_args = --no-verify tag = True diff --git a/DESCRIPTION b/DESCRIPTION index 8272687..90f9757 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -1,6 +1,6 @@ Package: KRSA Title: KRSA: Kinome Random Sampling Analyzer -Version: 1.99.2 +Version: 1.99.3 Authors@R: c(person(c("Ali", "Sajid"), "Imami", , "Ali.Sajid.Imami@gmail.com", role = c("aut", "cre"), comment = c(ORCID = "0000-0003-3684-3539")), diff --git a/codemeta.json b/codemeta.json index afcaa0c..c58a6d3 100644 --- a/codemeta.json +++ b/codemeta.json @@ -7,7 +7,7 @@ "codeRepository": "https://github.com/CogDisResLab/KRSA", "issueTracker": "https://github.com/CogDisResLab/KRSA/issues", "license": "https://spdx.org/licenses/MIT", - "version": "1.99.2", + "version": "1.99.3", "programmingLanguage": { "@type": "ComputerLanguage", "name": "R", From 3e4d011f8a00d5a79dcc7a0a2e4579beecf6c875 Mon Sep 17 00:00:00 2001 From: Ali Sajid Imami <395482+AliSajid@users.noreply.github.com> Date: Sun, 23 Jun 2024 22:47:51 -0400 Subject: [PATCH 03/12] ci: remove the docker token line Signed-off-by: Ali Sajid Imami <395482+AliSajid@users.noreply.github.com> --- .github/workflows/rworkflows.yml | 1 - 1 file changed, 1 deletion(-) diff --git a/.github/workflows/rworkflows.yml b/.github/workflows/rworkflows.yml index ea1ddfc..2844511 100644 --- a/.github/workflows/rworkflows.yml +++ b/.github/workflows/rworkflows.yml @@ -49,6 +49,5 @@ jobs: has_latex: ${{ false }} GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} run_docker: ${{ false }} - DOCKER_TOKEN: ${{ secrets.DOCKER_TOKEN }} runner_os: ${{ runner.os }} cache_version: cache-v1 From 0b0572dfdb933600a6a2cc359deff5182a474156 Mon Sep 17 00:00:00 2001 From: Ali Sajid Imami <395482+AliSajid@users.noreply.github.com> Date: Sun, 23 Jun 2024 22:47:51 -0400 Subject: [PATCH 04/12] =?UTF-8?q?Bump=20version:=201.99.3=20=E2=86=92=201.?= =?UTF-8?q?99.4?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- .bumpversion.cfg | 2 +- DESCRIPTION | 2 +- codemeta.json | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/.bumpversion.cfg b/.bumpversion.cfg index ec38860..9767191 100644 --- a/.bumpversion.cfg +++ b/.bumpversion.cfg @@ -1,5 +1,5 @@ [bumpversion] -current_version = 1.99.3 +current_version = 1.99.4 commit = True commit_args = --no-verify tag = True diff --git a/DESCRIPTION b/DESCRIPTION index 90f9757..6eb0cc5 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -1,6 +1,6 @@ Package: KRSA Title: KRSA: Kinome Random Sampling Analyzer -Version: 1.99.3 +Version: 1.99.4 Authors@R: c(person(c("Ali", "Sajid"), "Imami", , "Ali.Sajid.Imami@gmail.com", role = c("aut", "cre"), comment = c(ORCID = "0000-0003-3684-3539")), diff --git a/codemeta.json b/codemeta.json index c58a6d3..567ce56 100644 --- a/codemeta.json +++ b/codemeta.json @@ -7,7 +7,7 @@ "codeRepository": "https://github.com/CogDisResLab/KRSA", "issueTracker": "https://github.com/CogDisResLab/KRSA/issues", "license": "https://spdx.org/licenses/MIT", - "version": "1.99.3", + "version": "1.99.4", "programmingLanguage": { "@type": "ComputerLanguage", "name": "R", From 13d69f3e47d3544047d29380ea853af2f69e4c5c Mon Sep 17 00:00:00 2001 From: Ali Sajid Imami <395482+AliSajid@users.noreply.github.com> Date: Sun, 23 Jun 2024 22:59:48 -0400 Subject: [PATCH 05/12] style: use 4 spaces for every file Signed-off-by: Ali Sajid Imami <395482+AliSajid@users.noreply.github.com> --- R/data.R | 6 +- R/enrichr_lib_call.R | 41 ++++++------ R/krsa.R | 54 ++++++++-------- R/krsa_ball_model.R | 122 ++++++++++++++++++----------------- R/krsa_coverage_plot.R | 59 ++++++++--------- R/krsa_curve_plot.R | 39 ++++++----- R/krsa_cv_plot.R | 31 +++++---- R/krsa_enrichr.R | 62 +++++++++--------- R/krsa_enrichr_plot.R | 39 +++++------ R/krsa_filter_lowPeps.R | 27 ++++---- R/krsa_filter_nonLinear.R | 27 ++++---- R/krsa_filter_ref_pep.R | 18 +++--- R/krsa_get_diff.R | 22 +++---- R/krsa_get_diff_byChip.R | 6 +- R/krsa_group_diff.R | 51 +++++++++------ R/krsa_heatmap.R | 50 +++++++------- R/krsa_heatmap_grouped.R | 36 +++++------ R/krsa_histogram_plot.R | 30 ++++----- R/krsa_qc_steps.R | 16 +++-- R/krsa_quick_filter.R | 17 ++--- R/krsa_read.R | 41 +++++------- R/krsa_reverse_krsa_plot.R | 92 +++++++++++++------------- R/krsa_sampling.R | 18 +++--- R/krsa_scaleModel.R | 73 +++++++++++---------- R/krsa_show_peptides.R | 11 ++-- R/krsa_top_hits.R | 16 ++--- R/krsa_violin_plot.R | 44 +++++++------ R/krsa_violin_plot_grouped.R | 83 ++++++++++++------------ R/krsa_waterfall.R | 91 ++++++++++++-------------- R/krsa_zscores_plot.R | 55 ++++++++-------- R/parse_BN_crosstabFile.R | 65 +++++++++---------- 31 files changed, 666 insertions(+), 676 deletions(-) diff --git a/R/data.R b/R/data.R index 3bf2bd2..e1b591e 100644 --- a/R/data.R +++ b/R/data.R @@ -1,6 +1,7 @@ #' KRSA kinase-substrate mapping file for PamChip 86402 PTK (v1 mapping) #' -#' A data frame of the built-in KRSA kinase-substrate mapping file for PamChip 86402 PTK (v1 mapping) +#' A data frame of the built-in KRSA kinase-substrate mapping file +#' for PamChip 86402 PTK (v1 mapping) #' #' @format A data frame with 192 rows and 2 variables: #' \describe{ @@ -13,7 +14,8 @@ #' KRSA kinase-substrate mapping file for PamChip 87102 STK (v1 mapping) #' -#' A data frame of the built-in KRSA kinase-substrate mapping file for PamChip 87102 STK (v1 mapping) +#' A data frame of the built-in KRSA kinase-substrate mapping file +#' for PamChip 87102 STK (v1 mapping) #' #' @format A data frame with 141 rows and 2 variables: #' \describe{ diff --git a/R/enrichr_lib_call.R b/R/enrichr_lib_call.R index c5f0695..cf14994 100644 --- a/R/enrichr_lib_call.R +++ b/R/enrichr_lib_call.R @@ -14,36 +14,35 @@ #' #' @examples #' TRUE - - enrichr_lib_call <- function(lib, userListId) { - - ENRICHR_URL = 'https://maayanlab.cloud/Enrichr/enrich' - query_string = '?userListId=%s&backgroundType=%s' + ENRICHR_URL <- "https://maayanlab.cloud/Enrichr/enrich" + query_string <- "?userListId=%s&backgroundType=%s" - full_link <- base::paste0(ENRICHR_URL, - "?userListId=", - userListId, - "&backgroundType=", - lib) + full_link <- base::paste0( + ENRICHR_URL, + "?userListId=", + userListId, + "&backgroundType=", + lib + ) - base::message(base::paste0(lib, " ...")) + base::message(base::paste0(lib, " ...")) - res <- base::suppressMessages(jsonlite::fromJSON(httr::content(httr::GET(full_link), as="text"))) - - purrr::map(res[[1]], process_output) %>% - purrr::map_df(dplyr::bind_rows) %>% - dplyr::mutate(lib = lib) + res <- base::suppressMessages(jsonlite::fromJSON(httr::content(httr::GET(full_link), as = "text"))) + purrr::map(res[[1]], process_output) %>% + purrr::map_df(dplyr::bind_rows) %>% + dplyr::mutate(lib = lib) } process_output <- function(x) { - x <- stats::setNames(x, c("index", "term", "pvalue", "odds_ratio", "combined_score", - "genes", "adjusted_pvalue", "old1", "old2")) - - x[["genes"]] <- base::paste0(x[["genes"]], collapse = ", ") + x <- stats::setNames(x, c( + "index", "term", "pvalue", "odds_ratio", "combined_score", + "genes", "adjusted_pvalue", "old1", "old2" + )) - x + x[["genes"]] <- base::paste0(x[["genes"]], collapse = ", ") + x } diff --git a/R/krsa.R b/R/krsa.R index 124f6af..05fee76 100644 --- a/R/krsa.R +++ b/R/krsa.R @@ -17,32 +17,32 @@ #' #' @examples #' TRUE - - krsa <- function(peptides, itr = 2000, seed = 123, return_count = F, map_file = KRSA_file, cov_file = chipCov) { - message("Running KRSA ...") - set.seed(seed) - - purrr::map_df(1:itr,krsa_sampling,cov_file ,map_file,length(peptides)) -> temp - - temp %>% - dplyr::group_by(Kin) %>% - dplyr::summarise(SamplingAvg = mean(counts), SD= stats::sd(counts)) -> temp2 - - cov_file %>% - dplyr::group_by(Kin) %>% - dplyr::summarise( - Observed = sum(Substrates %in% peptides) - ) -> temp3 - - dplyr::left_join(temp2, temp3) %>% - dplyr::mutate(Z = (Observed-SamplingAvg)/SD) %>% - dplyr::arrange(dplyr::desc(abs(Z))) %>% - dplyr::filter(!Kin %in% c("BARK1", "VRK2")) %>% - dplyr::select(Kin, Observed, SamplingAvg, SD, Z) %>% - dplyr::rename(Kinase = Kin) -> fin - - if(return_count == T) {return(list(count_mtx = temp, KRSA_Table = fin))} - else {fin} - + message("Running KRSA ...") + set.seed(seed) + + purrr::map_df(1:itr, krsa_sampling, cov_file, map_file, length(peptides)) -> temp + + temp %>% + dplyr::group_by(Kin) %>% + dplyr::summarise(SamplingAvg = mean(counts), SD = stats::sd(counts)) -> temp2 + + cov_file %>% + dplyr::group_by(Kin) %>% + dplyr::summarise( + Observed = sum(Substrates %in% peptides) + ) -> temp3 + + dplyr::left_join(temp2, temp3) %>% + dplyr::mutate(Z = (Observed - SamplingAvg) / SD) %>% + dplyr::arrange(dplyr::desc(abs(Z))) %>% + dplyr::filter(!Kin %in% c("BARK1", "VRK2")) %>% + dplyr::select(Kin, Observed, SamplingAvg, SD, Z) %>% + dplyr::rename(Kinase = Kin) -> fin + + if (return_count == T) { + return(list(count_mtx = temp, KRSA_Table = fin)) + } else { + fin + } } diff --git a/R/krsa_ball_model.R b/R/krsa_ball_model.R index 743bbec..b3816ae 100644 --- a/R/krsa_ball_model.R +++ b/R/krsa_ball_model.R @@ -17,87 +17,89 @@ #' #' @examples #' TRUE +krsa_ball_model <- function(kinase_hits, Ztable, frq, Nsize, Tsize) { + Ztable %>% + dplyr::rename(MeanZ = .data$AvgZ) %>% + dplyr::mutate(breaks = cut(abs(.data$MeanZ), + breaks = c(0, 1, 1.5, 2, Inf), + right = F, + labels = c("Z <= 1", "1 >= Z < 1.5", "1.5 >= Z < 2", "Z >= 2") + )) -> Ztable -krsa_ball_model <- function(kinase_hits, Ztable,frq, Nsize, Tsize) { + nodes2 <- ballModel_nodes + edges <- ballModel_edges - Ztable %>% - dplyr::rename(MeanZ = .data$AvgZ) %>% - dplyr::mutate(breaks = cut(abs(.data$MeanZ), breaks = c(0, 1, 1.5, 2, Inf), - right = F, - labels = c("Z <= 1", "1 >= Z < 1.5", "1.5 >= Z < 2", "Z >= 2"))) -> Ztable + nodes2 %>% + dplyr::filter(.data$FinName %in% Ztable$Kinase) %>% + dplyr::pull(.data$FinName) -> sigHITS - nodes2 <- ballModel_nodes - edges <- ballModel_edges + edges %>% + dplyr::filter(.data$Source %in% sigHITS | .data$Target %in% sigHITS, .data$Source != .data$Target) -> modEdges - nodes2 %>% - dplyr::filter(.data$FinName %in% Ztable$Kinase) %>% - dplyr::pull(.data$FinName) -> sigHITS + modsources <- dplyr::pull(modEdges, .data$Source) + modtargets <- dplyr::pull(modEdges, .data$Target) - edges %>% - dplyr::filter(.data$Source %in% sigHITS | .data$Target %in% sigHITS, .data$Source != .data$Target) -> modEdges + modALL <- unique(c(modsources, modtargets)) - modsources <- dplyr::pull(modEdges, .data$Source) - modtargets <- dplyr::pull(modEdges, .data$Target) + nodes2 %>% + dplyr::filter(.data$FinName %in% modALL) -> nodesF - modALL <- unique(c(modsources,modtargets)) + edges %>% + dplyr::filter(.data$Source %in% nodesF$FinName & .data$Target %in% nodesF$FinName, .data$Source != .data$Target) -> modEdges - nodes2 %>% - dplyr::filter(.data$FinName %in% modALL) -> nodesF + modEdges %>% + dplyr::mutate(line = ifelse(.data$Source %in% sigHITS | .data$Target %in% sigHITS, 2, 1)) -> modEdges - edges %>% - dplyr::filter(.data$Source %in% nodesF$FinName & .data$Target %in% nodesF$FinName, .data$Source != .data$Target) -> modEdges + modsources <- dplyr::pull(modEdges, .data$Source) + modtargets <- dplyr::pull(modEdges, .data$Target) - modEdges %>% - dplyr::mutate(line = ifelse(.data$Source %in% sigHITS | .data$Target %in% sigHITS, 2,1 )) -> modEdges + modALL <- c(modsources, modtargets) + as.data.frame(table(modALL)) -> concts - modsources <- dplyr::pull(modEdges, .data$Source) - modtargets <- dplyr::pull(modEdges, .data$Target) + concts %>% + dplyr::rename(FinName = .data$modALL) -> concts - modALL <- c(modsources,modtargets) - as.data.frame(table(modALL)) -> concts + concts$FinName <- as.character(concts$FinName) - concts %>% - dplyr::rename(FinName = .data$modALL) -> concts + dplyr::right_join(nodesF, concts) -> nodesF - concts$FinName <- as.character(concts$FinName) - dplyr::right_join(nodesF,concts) -> nodesF + nodesF %>% + dplyr::left_join(dplyr::select(Ztable, .data$Kinase, .data$breaks) %>% + dplyr::distinct(), by = c("FinName" = "Kinase")) %>% + dplyr::mutate(cl = dplyr::case_when( + .data$breaks == "1 >= Z < 1.5" ~ "#FCAE91", + .data$breaks == "Z <= 1" ~ "#FEE5D9", + .data$breaks == "1.5 >= Z < 2" ~ "#FB6A4A", + .data$breaks == "Z >= 2" ~ "#CB181D", + T ~ "grey" + )) -> nodesF + nodesF %>% + dplyr::filter(.data$Freq >= frq | !.data$cl %in% c("grey", "#FEE5D9", "#FCAE91")) %>% + dplyr::pull(.data$FinName) -> FinKinases - nodesF %>% - dplyr::left_join(dplyr::select(Ztable, .data$Kinase, .data$breaks) %>% - dplyr::distinct(), by = c("FinName"= "Kinase")) %>% - dplyr::mutate(cl = dplyr::case_when( - .data$breaks == "1 >= Z < 1.5" ~ "#FCAE91", - .data$breaks == "Z <= 1" ~ "#FEE5D9", - .data$breaks == "1.5 >= Z < 2" ~ "#FB6A4A", - .data$breaks == "Z >= 2" ~ "#CB181D", - T ~ "grey" - )) -> nodesF + modEdges %>% + dplyr::filter(.data$Source %in% FinKinases & .data$Target %in% FinKinases) -> modEdges - nodesF %>% - dplyr::filter(.data$Freq>=frq| !.data$cl %in% c("grey", "#FEE5D9", "#FCAE91")) %>% dplyr::pull(.data$FinName) -> FinKinases + nodesF %>% + dplyr::filter(.data$FinName %in% FinKinases) %>% + dplyr::mutate(Freq = ifelse(.data$Freq < 4, 4, .data$Freq)) -> nodesF - modEdges %>% - dplyr::filter(.data$Source %in% FinKinases & .data$Target %in% FinKinases) -> modEdges + net <- igraph::graph_from_data_frame(d = modEdges, vertices = nodesF, directed = T) + net <- igraph::simplify(net, remove.loops = F, remove.multiple = F) - nodesF %>% - dplyr::filter(.data$FinName %in% FinKinases) %>% - dplyr::mutate(Freq = ifelse(.data$Freq < 4, 4, .data$Freq) )-> nodesF + igraph::V(net)$size <- log2(igraph::V(net)$Freq) * Nsize + colrs <- c("#FEE5D9", "#FCAE91", "#FB6A4A", "#CB181D", "grey") + igraph::V(net)$color <- igraph::V(net)$cl - net <- igraph::graph_from_data_frame(d=modEdges, vertices=nodesF, directed=T) - net <- igraph::simplify(net,remove.loops = F, remove.multiple = F) + colrs2 <- c("gray", "black") + igraph::E(net)$color <- colrs2[igraph::E(net)$line] - igraph::V(net)$size = log2(igraph::V(net)$Freq)*Nsize - colrs <- c("#FEE5D9", "#FCAE91", "#FB6A4A", "#CB181D", "grey") - igraph::V(net)$color <- igraph::V(net)$cl - - colrs2 <- c("gray", "black") - igraph::E(net)$color <- colrs2[igraph::E(net)$line] - - plot(net, edge.arrow.size=.05,vertex.label=igraph::V(net)$FinName,vertex.label.color = "black",vertex.label.cex=log2(igraph::V(net)$Freq)/Tsize, layout = igraph::layout_in_circle) - - graphics::legend("bottomleft", c("Z <= 1", "1 >= Z < 1.5", "1.5 >= Z < 2", "Z >= 2", "NA"), pch=21, - col="#777777", pt.bg=colrs, pt.cex=2, cex=.8, bty="n", ncol=1) + plot(net, edge.arrow.size = .05, vertex.label = igraph::V(net)$FinName, vertex.label.color = "black", vertex.label.cex = log2(igraph::V(net)$Freq) / Tsize, layout = igraph::layout_in_circle) + graphics::legend("bottomleft", c("Z <= 1", "1 >= Z < 1.5", "1.5 >= Z < 2", "Z >= 2", "NA"), + pch = 21, + col = "#777777", pt.bg = colrs, pt.cex = 2, cex = .8, bty = "n", ncol = 1 + ) } diff --git a/R/krsa_coverage_plot.R b/R/krsa_coverage_plot.R index d3a0bf5..3286d5e 100644 --- a/R/krsa_coverage_plot.R +++ b/R/krsa_coverage_plot.R @@ -14,34 +14,35 @@ #' #' @examples #' TRUE - krsa_coverage_plot <- function(chipCov, Ztable, chipType = c("STK", "PTK")) { - chipCov %>% - dplyr::count(Kin, name = "count") %>% - dplyr::mutate(Perc = (count/ifelse(chipType == "STK", 141, 193)) *100) %>% - dplyr::rename(Kinase = Kin) %>% - dplyr::left_join(dplyr::select(Ztable, -Z, -method), by = "Kinase") %>% - dplyr::distinct() %>% - dplyr::mutate(MeanZ =AvgZ) %>% - dplyr::filter(!Kinase %in% c("VRK2", "BARK1")) %>% - dplyr::mutate(breaks = cut(abs(MeanZ), breaks = c(0, 1, 1.5, 2, Inf), right = F, - labels = c("Z <= 1", "1 >= Z < 1.5", "1.5 >= Z < 2", "Z >= 2") - )) %>% - ggplot2::ggplot(ggplot2::aes(x = stats::reorder(Kinase,count), Perc, fill = breaks)) + - ggplot2::geom_col() + - ggplot2::scale_fill_brewer(palette="Reds", drop = F, guide = ggplot2::guide_legend(reverse=TRUE, title = "")) + - ggplot2::geom_text(ggplot2::aes(label = paste0("Z = ",round(MeanZ, 2))), hjust = -0.15, size = 2.2) + - ggplot2::coord_flip() + - ggplot2::geom_hline(yintercept = 25, linetype="dashed", alpha = 1/5) + - ggplot2::geom_hline(yintercept = 50, linetype="dashed", alpha = 1/5) + - ggplot2::geom_hline(yintercept = 75, linetype="dashed", alpha = 1/5) + - ggplot2::scale_y_continuous(expand = c(0, 0),labels = function(x) paste0(x, "%"), limits = c(0,102)) + - ggplot2::labs( - x = "Kinases", - y = "Percentage of Chip Coverage" - ) + ggplot2::theme( - axis.text.y = ggplot2::element_text(size = 7), - legend.title = ggplot2::element_blank() - - ) + ggplot2::theme_bw() + chipCov %>% + dplyr::count(Kin, name = "count") %>% + dplyr::mutate(Perc = (count / ifelse(chipType == "STK", 141, 193)) * 100) %>% + dplyr::rename(Kinase = Kin) %>% + dplyr::left_join(dplyr::select(Ztable, -Z, -method), by = "Kinase") %>% + dplyr::distinct() %>% + dplyr::mutate(MeanZ = AvgZ) %>% + dplyr::filter(!Kinase %in% c("VRK2", "BARK1")) %>% + dplyr::mutate(breaks = cut(abs(MeanZ), + breaks = c(0, 1, 1.5, 2, Inf), right = F, + labels = c("Z <= 1", "1 >= Z < 1.5", "1.5 >= Z < 2", "Z >= 2") + )) %>% + ggplot2::ggplot(ggplot2::aes(x = stats::reorder(Kinase, count), Perc, fill = breaks)) + + ggplot2::geom_col() + + ggplot2::scale_fill_brewer(palette = "Reds", drop = F, guide = ggplot2::guide_legend(reverse = TRUE, title = "")) + + ggplot2::geom_text(ggplot2::aes(label = paste0("Z = ", round(MeanZ, 2))), hjust = -0.15, size = 2.2) + + ggplot2::coord_flip() + + ggplot2::geom_hline(yintercept = 25, linetype = "dashed", alpha = 1 / 5) + + ggplot2::geom_hline(yintercept = 50, linetype = "dashed", alpha = 1 / 5) + + ggplot2::geom_hline(yintercept = 75, linetype = "dashed", alpha = 1 / 5) + + ggplot2::scale_y_continuous(expand = c(0, 0), labels = function(x) paste0(x, "%"), limits = c(0, 102)) + + ggplot2::labs( + x = "Kinases", + y = "Percentage of Chip Coverage" + ) + + ggplot2::theme( + axis.text.y = ggplot2::element_text(size = 7), + legend.title = ggplot2::element_blank() + ) + + ggplot2::theme_bw() } diff --git a/R/krsa_curve_plot.R b/R/krsa_curve_plot.R index 6396a2b..03c81ed 100644 --- a/R/krsa_curve_plot.R +++ b/R/krsa_curve_plot.R @@ -17,26 +17,25 @@ #' #' @examples #' TRUE +krsa_curve_plot <- function(data, peptides, byGroup = T, samples = NULL, groups = NULL) { + data %>% + dplyr::filter(Peptide %in% peptides) %>% + { + if (!is.null(samples)) dplyr::filter(., SampleName %in% samples) else . + } %>% + { + if (!is.null(groups)) dplyr::filter(., Group %in% groups) else . + } %>% + ggplot2::ggplot(ggplot2::aes(ExposureTime, Signal)) -> gg + if (byGroup) { + gg <- gg + ggplot2::geom_smooth(method = stats::lm, formula = y ~ x + 0, se = F, ggplot2::aes(color = factor(Group))) + } else { + gg <- gg + ggplot2::geom_smooth(method = stats::lm, formula = y ~ x + 0, se = F, ggplot2::aes(group = SampleName, color = factor(Group))) + } -krsa_curve_plot <- function(data, peptides, byGroup = T ,samples = NULL, groups = NULL) { - data %>% - dplyr::filter(Peptide %in% peptides) %>% - {if(!is.null(samples)) dplyr::filter(.,SampleName %in% samples) else .} %>% - {if(!is.null(groups)) dplyr::filter(.,Group %in% groups) else .} %>% - ggplot2::ggplot(ggplot2::aes(ExposureTime, Signal)) -> gg - - if(byGroup) { - gg <- gg + ggplot2::geom_smooth(method = stats::lm, formula = y~x+0, se=F, ggplot2::aes(color = factor(Group))) - } - - else { - gg <- gg + ggplot2::geom_smooth(method = stats::lm, formula = y~x+0, se=F, ggplot2::aes(group = SampleName, color = factor(Group))) - } - - gg + - ggplot2::facet_wrap(~ Peptide, scales = "free") + - ggplot2::labs(title = paste0("Linear Model Fit of Signal Intensity Relative to Exposure Time at Post-wash Cycle of") - ) + - ggplot2::theme_bw() + gg + + ggplot2::facet_wrap(~Peptide, scales = "free") + + ggplot2::labs(title = paste0("Linear Model Fit of Signal Intensity Relative to Exposure Time at Post-wash Cycle of")) + + ggplot2::theme_bw() } diff --git a/R/krsa_cv_plot.R b/R/krsa_cv_plot.R index 92e132a..bc97bd3 100644 --- a/R/krsa_cv_plot.R +++ b/R/krsa_cv_plot.R @@ -14,20 +14,19 @@ #' #' @examples #' TRUE - -krsa_cv_plot <- function(data, peptides,samples = NULL) { - - data %>% - dplyr::filter(Peptide %in% peptides) %>% - {if(!is.null(samples)) dplyr::filter(.,SampleName %in% samples) else .} %>% - dplyr::group_by(Group, Peptide) %>% - dplyr::summarise(SD = stats::sd(slope), repMean = mean(slope), CV = SD/repMean) %>% - ggplot2::ggplot(ggplot2::aes(.data$repMean, .data$CV)) + - ggplot2::geom_point() + - ggplot2::geom_smooth(method = "loess",ggplot2::aes(color = Group)) + - ggplot2::facet_wrap(~Group, scales = "free") + - ggplot2::ylim(0,1) + - ggplot2::labs(title = "CV Plot") + - ggplot2::theme_bw() - +krsa_cv_plot <- function(data, peptides, samples = NULL) { + data %>% + dplyr::filter(Peptide %in% peptides) %>% + { + if (!is.null(samples)) dplyr::filter(., SampleName %in% samples) else . + } %>% + dplyr::group_by(Group, Peptide) %>% + dplyr::summarise(SD = stats::sd(slope), repMean = mean(slope), CV = SD / repMean) %>% + ggplot2::ggplot(ggplot2::aes(.data$repMean, .data$CV)) + + ggplot2::geom_point() + + ggplot2::geom_smooth(method = "loess", ggplot2::aes(color = Group)) + + ggplot2::facet_wrap(~Group, scales = "free") + + ggplot2::ylim(0, 1) + + ggplot2::labs(title = "CV Plot") + + ggplot2::theme_bw() } diff --git a/R/krsa_enrichr.R b/R/krsa_enrichr.R index b4b6e1c..6feadee 100644 --- a/R/krsa_enrichr.R +++ b/R/krsa_enrichr.R @@ -15,35 +15,37 @@ #' #' @examples #' TRUE - - krsa_enrichr <- function(peptides = NULL, genes = NULL, - libs = c("GO_Biological_Process_2021", "GO_Cellular_Component_2021", - "GO_Molecular_Function_2021", "WikiPathway_2021_Human", - "Reactome_2016", "KEGG_2021_Human", "BioPlanet_2019")){ - - if(all(c(is.null(peptides), is.null(genes)))) { - stop("peptides and genes arguments can't be both NULL") - } - - input_list <- NULL - - if(!is.null(genes)) { - input_list <- genes - } else { - input_list <- base::rbind(KRSA::stk_pamchip_87102_mapping, KRSA::ptk_pamchip_86402_mapping) %>% - dplyr::filter(ID %in% peptides) %>% - dplyr::pull(HGNC) %>% base::unique() - } - - link <- "https://maayanlab.cloud/Enrichr/addList" - - jsonlite::fromJSON(httr::content(httr::POST(link, - body = list(list = paste0(input_list, collapse = "\n"))), - as = "text", - encoding = "UTF-8")) -> res - - purrr::map_df(libs, KRSA::enrichr_lib_call, res$userListId) %>% - dplyr::select(-old1,-old2) - + libs = c( + "GO_Biological_Process_2021", "GO_Cellular_Component_2021", + "GO_Molecular_Function_2021", "WikiPathway_2021_Human", + "Reactome_2016", "KEGG_2021_Human", "BioPlanet_2019" + )) { + if (all(c(is.null(peptides), is.null(genes)))) { + stop("peptides and genes arguments can't be both NULL") + } + + input_list <- NULL + + if (!is.null(genes)) { + input_list <- genes + } else { + input_list <- base::rbind(KRSA::stk_pamchip_87102_mapping, KRSA::ptk_pamchip_86402_mapping) %>% + dplyr::filter(ID %in% peptides) %>% + dplyr::pull(HGNC) %>% + base::unique() + } + + link <- "https://maayanlab.cloud/Enrichr/addList" + + jsonlite::fromJSON(httr::content( + httr::POST(link, + body = list(list = paste0(input_list, collapse = "\n")) + ), + as = "text", + encoding = "UTF-8" + )) -> res + + purrr::map_df(libs, KRSA::enrichr_lib_call, res$userListId) %>% + dplyr::select(-old1, -old2) } diff --git a/R/krsa_enrichr_plot.R b/R/krsa_enrichr_plot.R index bdcf026..33f3457 100644 --- a/R/krsa_enrichr_plot.R +++ b/R/krsa_enrichr_plot.R @@ -15,26 +15,21 @@ #' #' @examples #' TRUE - - - -krsa_enrichr_plot <- function(enrichr_df, terms_to_plot = 10,size = 2.5) { - - enrichr_df %>% - dplyr::group_by(lib) %>% - dplyr::slice_head(n = terms_to_plot) %>% - ggplot2::ggplot(ggplot2::aes(x = -log(pvalue), y = stats::reorder(term, -base::log(pvalue)))) + - ggplot2::geom_col(ggplot2::aes(fill =-base::log(pvalue)), show.legend = F) + - ggplot2::geom_text( - ggplot2::aes(label = term), - size = size, - ## make labels left-aligned - hjust = 1, nudge_x = .5 - ) + - ggplot2::theme_minimal() + - ggplot2::scale_fill_gradient(low = "#713939", high = "#ff6666") + - ggplot2::theme(axis.text.y = ggplot2::element_blank()) + - ggplot2::labs(y = "") + - ggplot2::facet_wrap(~lib, scales = "free", ncol = 2) - +krsa_enrichr_plot <- function(enrichr_df, terms_to_plot = 10, size = 2.5) { + enrichr_df %>% + dplyr::group_by(lib) %>% + dplyr::slice_head(n = terms_to_plot) %>% + ggplot2::ggplot(ggplot2::aes(x = -log(pvalue), y = stats::reorder(term, -base::log(pvalue)))) + + ggplot2::geom_col(ggplot2::aes(fill = -base::log(pvalue)), show.legend = F) + + ggplot2::geom_text( + ggplot2::aes(label = term), + size = size, + ## make labels left-aligned + hjust = 1, nudge_x = .5 + ) + + ggplot2::theme_minimal() + + ggplot2::scale_fill_gradient(low = "#713939", high = "#ff6666") + + ggplot2::theme(axis.text.y = ggplot2::element_blank()) + + ggplot2::labs(y = "") + + ggplot2::facet_wrap(~lib, scales = "free", ncol = 2) } diff --git a/R/krsa_filter_lowPeps.R b/R/krsa_filter_lowPeps.R index 05df85a..fcb3f44 100644 --- a/R/krsa_filter_lowPeps.R +++ b/R/krsa_filter_lowPeps.R @@ -16,19 +16,20 @@ #' #' @examples #' TRUE +krsa_filter_lowPeps <- function(data, threshold, samples = NULL, groups = NULL) { + data %>% + { + if (!is.null(samples)) dplyr::filter(., SampleName %in% samples) else . + } %>% + { + if (!is.null(groups)) dplyr::filter(., Group %in% groups) else . + } %>% + dplyr::select(-Group) %>% + tidyr::pivot_wider(names_from = SampleName, values_from = Signal) %>% + dplyr::filter_at(vars(-Peptide), dplyr::all_vars(. >= threshold)) %>% + dplyr::pull(Peptide) -> p -krsa_filter_lowPeps <- function(data, threshold,samples = NULL, groups = NULL) { - - data %>% - {if(!is.null(samples)) dplyr::filter(.,SampleName %in% samples) else .} %>% - {if(!is.null(groups)) dplyr::filter(.,Group %in% groups) else .} %>% - dplyr::select(-Group) %>% - tidyr::pivot_wider(names_from = SampleName, values_from = Signal) %>% - dplyr::filter_at( vars(-Peptide) , dplyr::all_vars(. >= threshold)) %>% - dplyr::pull(Peptide) -> p - - message(paste("Filtered out", length(data$Peptide %>% unique()) - length(p), "Peptides")) - - p + message(paste("Filtered out", length(data$Peptide %>% unique()) - length(p), "Peptides")) + p } diff --git a/R/krsa_filter_nonLinear.R b/R/krsa_filter_nonLinear.R index 7c990a4..05fff38 100644 --- a/R/krsa_filter_nonLinear.R +++ b/R/krsa_filter_nonLinear.R @@ -15,21 +15,22 @@ #' #' @examples #' TRUE +krsa_filter_nonLinear <- function(data, threshold, samples = NULL, groups = NULL) { + data %>% + { + if (!is.null(samples)) dplyr::filter(., SampleName %in% samples) else . + } %>% + { + if (!is.null(groups)) dplyr::filter(., Group %in% groups) else . + } %>% + dplyr::select(SampleName, Peptide, r.seq) %>% + tidyr::spread(SampleName, r.seq) %>% + dplyr::filter_at(vars(-Peptide), dplyr::all_vars(. >= threshold)) %>% + dplyr::pull(Peptide) -> p -krsa_filter_nonLinear <- function(data, threshold,samples = NULL, groups = NULL) { - data %>% - {if(!is.null(samples)) dplyr::filter(.,SampleName %in% samples) else .} %>% - {if(!is.null(groups)) dplyr::filter(.,Group %in% groups) else .} %>% - dplyr::select(SampleName, Peptide, r.seq) %>% - tidyr::spread(SampleName, r.seq) %>% - dplyr::filter_at( vars(-Peptide) , dplyr::all_vars(. >= threshold)) %>% - dplyr::pull(Peptide) -> p + message(paste("Filtered out", length(data$Peptide %>% unique()) - length(p), "Peptides")) - - message(paste("Filtered out", length(data$Peptide %>% unique()) - length(p), "Peptides")) - - p - + p } diff --git a/R/krsa_filter_ref_pep.R b/R/krsa_filter_ref_pep.R index 1f47a01..be485d2 100644 --- a/R/krsa_filter_ref_pep.R +++ b/R/krsa_filter_ref_pep.R @@ -12,19 +12,17 @@ #' #' @examples #' TRUE - krsa_filter_ref_pep <- function(peptides) { - - peptides[!grepl("^#REF", peptides)] -> new_pep - new_pep[!new_pep%in% c("pVASP_150_164", "pTY3H_64_78", "ART_025_CXGLRRWSLGGLRRWSL", - "pVASP_150_164", "pTY3H_64_78", "ART_025_CXGLRRWSLGGLRRWSL", - "EFS_246_258_Y253F","ART_004_EAIYAAPFAKKKXC","ART_003_EAI(pY)AAPFAKKKXC" - )] -> new_pep - + peptides[!grepl("^#REF", peptides)] -> new_pep + new_pep[!new_pep %in% c( + "pVASP_150_164", "pTY3H_64_78", "ART_025_CXGLRRWSLGGLRRWSL", + "pVASP_150_164", "pTY3H_64_78", "ART_025_CXGLRRWSLGGLRRWSL", + "EFS_246_258_Y253F", "ART_004_EAIYAAPFAKKKXC", "ART_003_EAI(pY)AAPFAKKKXC" + )] -> new_pep - message(paste("Filtered out", length(peptides) - length(new_pep), "Peptides")) - new_pep + message(paste("Filtered out", length(peptides) - length(new_pep), "Peptides")) + new_pep } diff --git a/R/krsa_get_diff.R b/R/krsa_get_diff.R index ee72190..281419d 100644 --- a/R/krsa_get_diff.R +++ b/R/krsa_get_diff.R @@ -16,16 +16,14 @@ #' #' @examples #' TRUE - - -krsa_get_diff <- function(data,col, lfc_thr, sd_thr = Inf) { - peplist <- vector("list", length(lfc_thr)) - for (i in 1:length(lfc_thr)) { - dplyr::filter(data, {{ col }} >= lfc_thr[i] | {{ col }} <= lfc_thr[i]*-1) %>% - dplyr::filter(LFC_SD <= sd_thr | is.na(LFC_SD)) %>% - dplyr::pull(Peptide) %>% - unique() -> peplist[[i]] - } - names(peplist) <- as.character(lfc_thr) - peplist +krsa_get_diff <- function(data, col, lfc_thr, sd_thr = Inf) { + peplist <- vector("list", length(lfc_thr)) + for (i in 1:length(lfc_thr)) { + dplyr::filter(data, {{ col }} >= lfc_thr[i] | {{ col }} <= lfc_thr[i] * -1) %>% + dplyr::filter(LFC_SD <= sd_thr | is.na(LFC_SD)) %>% + dplyr::pull(Peptide) %>% + unique() -> peplist[[i]] + } + names(peplist) <- as.character(lfc_thr) + peplist } diff --git a/R/krsa_get_diff_byChip.R b/R/krsa_get_diff_byChip.R index 82e0ced..e5a0379 100644 --- a/R/krsa_get_diff_byChip.R +++ b/R/krsa_get_diff_byChip.R @@ -14,9 +14,7 @@ #' #' @examples #' TRUE - - krsa_get_diff_byChip <- function(data, col, lfc_thr) { - x<- split(data, data$Barcode) - purrr::map(x, krsa_get_diff, {{ col }}, lfc_thr) + x <- split(data, data$Barcode) + purrr::map(x, krsa_get_diff, {{ col }}, lfc_thr) } diff --git a/R/krsa_group_diff.R b/R/krsa_group_diff.R index 6e35bb3..7194f82 100644 --- a/R/krsa_group_diff.R +++ b/R/krsa_group_diff.R @@ -17,22 +17,37 @@ #' #' @examples #' TRUE - - -krsa_group_diff <- function(data, groups, peps, samples = NULL, byChip = T, Barcodes = NULL) { - data %>% - {if(!is.null(samples)) dplyr::filter(.,SampleName %in% samples) else .} %>% - dplyr::filter(Group %in% groups, Peptide %in% peps) %>% - {if (byChip == T) {dplyr::group_by(.,Barcode, Peptide)} else dplyr::group_by(., Peptide, Group)} %>% - {if (byChip == T) dplyr::summarise(.,LFC = slope[Group == groups[1]] - slope[Group == groups[2]]) else { - dplyr::summarise(.,slope=mean(slope)) %>% ungroup(.) %>% - dplyr::group_by(.,Peptide) %>% - dplyr::summarise(.,LFC = slope[Group == groups[1]] - slope[Group == groups[2]]) - }} %>% - dplyr::ungroup(.) %>% - {if (byChip == T) { - dplyr::group_by(.,Peptide) %>% - dplyr::mutate(.,totalMeanLFC = mean(LFC), LFC_SD = sd(LFC)) %>% - dplyr::ungroup(.) - } else .} +krsa_group_diff <- function(data, groups, peps, samples = NULL, byChip = T, Barcodes = NULL) { + data %>% + { + if (!is.null(samples)) dplyr::filter(., SampleName %in% samples) else . + } %>% + dplyr::filter(Group %in% groups, Peptide %in% peps) %>% + { + if (byChip == T) { + dplyr::group_by(., Barcode, Peptide) + } else { + dplyr::group_by(., Peptide, Group) + } + } %>% + { + if (byChip == T) { + dplyr::summarise(., LFC = slope[Group == groups[1]] - slope[Group == groups[2]]) + } else { + dplyr::summarise(., slope = mean(slope)) %>% + ungroup(.) %>% + dplyr::group_by(., Peptide) %>% + dplyr::summarise(., LFC = slope[Group == groups[1]] - slope[Group == groups[2]]) + } + } %>% + dplyr::ungroup(.) %>% + { + if (byChip == T) { + dplyr::group_by(., Peptide) %>% + dplyr::mutate(., totalMeanLFC = mean(LFC), LFC_SD = sd(LFC)) %>% + dplyr::ungroup(.) + } else { + . + } + } } diff --git a/R/krsa_heatmap.R b/R/krsa_heatmap.R index 6d3d031..0b1d5b0 100644 --- a/R/krsa_heatmap.R +++ b/R/krsa_heatmap.R @@ -17,32 +17,34 @@ #' #' @examples #' TRUE +krsa_heatmap <- function(data, peptides, samples = NULL, groups = NULL, ...) { + data %>% + dplyr::filter(Peptide %in% peptides) %>% + { + if (!is.null(samples)) dplyr::filter(., SampleName %in% samples) else . + } %>% + { + if (!is.null(groups)) dplyr::filter(., Group %in% groups) else . + } %>% + dplyr::select(Peptide, SampleName, slope) %>% + tidyr::spread(key = SampleName, value = slope) %>% + column_to_rownames("Peptide") %>% + as.matrix() -> HM_matrix2_test1 -krsa_heatmap <- function(data, peptides,samples = NULL,groups = NULL, ...) { + data %>% + dplyr::select(SampleName, Group) %>% + dplyr::distinct() %>% + column_to_rownames("SampleName") -> SamplesAnnotation - data %>% - dplyr::filter(Peptide %in% peptides) %>% - {if(!is.null(samples)) dplyr::filter(.,SampleName %in% samples) else .} %>% - {if(!is.null(groups)) dplyr::filter(.,Group %in% groups) else .} %>% - dplyr::select(Peptide, SampleName, slope) %>% - tidyr::spread(key = SampleName, value = slope) %>% - column_to_rownames("Peptide") %>% - as.matrix() -> HM_matrix2_test1 + dd <- stats::dist(scale(t(HM_matrix2_test1))) + pheatmap::pheatmap(HM_matrix2_test1, + clustering_distance_cols = dd, + annotation_col = SamplesAnnotation, + color = grDevices::colorRampPalette(c("yellow", "white", "red"))(n = 50), + fontsize_row = 5, + ... + ) -> p1 - data %>% - dplyr::select(SampleName, Group) %>% - dplyr::distinct() %>% - column_to_rownames("SampleName") -> SamplesAnnotation - - dd <- stats::dist(scale(t(HM_matrix2_test1))) - pheatmap::pheatmap(HM_matrix2_test1, clustering_distance_cols = dd, - annotation_col = SamplesAnnotation, - color = grDevices::colorRampPalette(c("yellow", "white", "red"))(n = 50), - fontsize_row = 5, - ... - ) -> p1 - - - p1 + p1 } diff --git a/R/krsa_heatmap_grouped.R b/R/krsa_heatmap_grouped.R index 86f9cd3..9d41a96 100644 --- a/R/krsa_heatmap_grouped.R +++ b/R/krsa_heatmap_grouped.R @@ -15,26 +15,26 @@ #' #' @examples #' TRUE +krsa_heatmap_grouped <- function(data, peptides, groups = NULL, ...) { + data %>% + dplyr::filter(Peptide %in% peptides) %>% + { + if (!is.null(groups)) dplyr::filter(., Group %in% groups) else . + } %>% + dplyr::select(Peptide, Group, slope) %>% + tidyr::spread(key = Group, value = slope) %>% + column_to_rownames("Peptide") %>% + as.matrix() -> HM_matrix2_test1 -krsa_heatmap_grouped <- function(data, peptides,groups = NULL, ...) { - data %>% - dplyr::filter(Peptide %in% peptides) %>% - {if(!is.null(groups)) dplyr::filter(.,Group %in% groups) else .} %>% - dplyr::select(Peptide, Group, slope) %>% - tidyr::spread(key = Group, value = slope) %>% - column_to_rownames("Peptide") %>% - as.matrix() -> HM_matrix2_test1 + dd <- stats::dist(scale(t(HM_matrix2_test1))) + pheatmap::pheatmap(HM_matrix2_test1, + clustering_distance_cols = dd, + color = grDevices::colorRampPalette(c("yellow", "white", "red"))(n = 50), + fontsize_row = 5, + ... + ) -> p1 - dd <- stats::dist(scale(t(HM_matrix2_test1))) - pheatmap::pheatmap(HM_matrix2_test1, clustering_distance_cols = dd, - color = grDevices::colorRampPalette(c("yellow", "white", "red"))(n = 50), - fontsize_row = 5, - ... - ) -> p1 - - - p1 - + p1 } diff --git a/R/krsa_histogram_plot.R b/R/krsa_histogram_plot.R index 7ee2787..d578456 100644 --- a/R/krsa_histogram_plot.R +++ b/R/krsa_histogram_plot.R @@ -14,19 +14,19 @@ #' #' @examples #' TRUE - - -krsa_histogram_plot <- function(data,data2,kinases) { - data2 %>% - dplyr::rename(Kinase = Kin) %>% - dplyr::filter(Kinase %in% kinases) %>% - ggplot2::ggplot() + - ggplot2::geom_histogram(ggplot2::aes(counts),binwidth = 1,fill= "gray30", color = "black") + - ggplot2::geom_rect(data=dplyr::filter(data, Kinase %in% kinases),ggplot2::aes(xmin=SamplingAvg+(2*SD), xmax=SamplingAvg-(2*SD), ymin=0, ymax=Inf), - fill="gray", alpha=0.5) + - ggplot2::geom_vline(data=dplyr::filter(data, Kinase %in% kinases),ggplot2::aes(xintercept = Observed), color = "red", size = 1,show.legend = F) + - ggplot2::facet_wrap(~ Kinase, scales = "free") + - ggplot2::labs(x = "Hits", y = "Counts") + - ggplot2::theme_bw() + - ggplot2::theme(plot.title = ggplot2::element_text(hjust = 0.5)) +krsa_histogram_plot <- function(data, data2, kinases) { + data2 %>% + dplyr::rename(Kinase = Kin) %>% + dplyr::filter(Kinase %in% kinases) %>% + ggplot2::ggplot() + + ggplot2::geom_histogram(ggplot2::aes(counts), binwidth = 1, fill = "gray30", color = "black") + + ggplot2::geom_rect( + data = dplyr::filter(data, Kinase %in% kinases), ggplot2::aes(xmin = SamplingAvg + (2 * SD), xmax = SamplingAvg - (2 * SD), ymin = 0, ymax = Inf), + fill = "gray", alpha = 0.5 + ) + + ggplot2::geom_vline(data = dplyr::filter(data, Kinase %in% kinases), ggplot2::aes(xintercept = Observed), color = "red", size = 1, show.legend = F) + + ggplot2::facet_wrap(~Kinase, scales = "free") + + ggplot2::labs(x = "Hits", y = "Counts") + + ggplot2::theme_bw() + + ggplot2::theme(plot.title = ggplot2::element_text(hjust = 0.5)) } diff --git a/R/krsa_qc_steps.R b/R/krsa_qc_steps.R index 59d4d47..eb14940 100644 --- a/R/krsa_qc_steps.R +++ b/R/krsa_qc_steps.R @@ -15,12 +15,14 @@ #' @examples #' TRUE #' - krsa_qc_steps <- function(df, sat_qc = T) { - - df %>% - dplyr::mutate(Signal = ifelse(Signal < 1, 1, Signal)) %>% - {if (sat_qc == T) {dplyr::filter(.,!SignalSaturation>0.05)} else .} - - + df %>% + dplyr::mutate(Signal = ifelse(Signal < 1, 1, Signal)) %>% + { + if (sat_qc == T) { + dplyr::filter(., !SignalSaturation > 0.05) + } else { + . + } + } } diff --git a/R/krsa_quick_filter.R b/R/krsa_quick_filter.R index 2b9a8f9..2774fdb 100644 --- a/R/krsa_quick_filter.R +++ b/R/krsa_quick_filter.R @@ -17,17 +17,14 @@ #' #' @examples #' TRUE +krsa_quick_filter <- function(data, data2, signal_threshold, r2_threshold, samples = NULL, groups = NULL) { + krsa_filter_lowPeps(data, signal_threshold, samples, groups) -> p -krsa_quick_filter <- function(data,data2, signal_threshold,r2_threshold,samples = NULL, groups = NULL) { + data2 %>% + dplyr::filter(Peptide %in% p) %>% + krsa_filter_nonLinear(r2_threshold, samples, groups) -> p2 - krsa_filter_lowPeps(data, signal_threshold, samples, groups) -> p - - data2 %>% - dplyr::filter(Peptide %in% p) %>% - krsa_filter_nonLinear(r2_threshold, samples, groups) -> p2 - - krsa_filter_ref_pep(p2) -> p3 - - p3 + krsa_filter_ref_pep(p2) -> p3 + p3 } diff --git a/R/krsa_read.R b/R/krsa_read.R index eb11f60..b931a91 100644 --- a/R/krsa_read.R +++ b/R/krsa_read.R @@ -13,37 +13,30 @@ #' #' @examples #' TRUE - krsa_read <- function(signal_file, signal_saturation) { - # Read Files and return tidy tbl - # Created 2020-02-14 - # Last Updated 2020-02-14 - - - sig_df <- parse_BN_crosstabFile(signal_file, "Signal") - - if(missing(signal_saturation)) { + # Read Files and return tidy tbl + # Created 2020-02-14 + # Last Updated 2020-02-14 - sig_df - } else { + sig_df <- parse_BN_crosstabFile(signal_file, "Signal") - sig_sat <- parse_BN_crosstabFile(signal_saturation, "SignalSaturation") + if (missing(signal_saturation)) { + sig_df + } else { + sig_sat <- parse_BN_crosstabFile(signal_saturation, "SignalSaturation") - if(identical(dim(sig_df), dim(sig_sat))) { - rowsIDs <- nrow(sig_df) + if (identical(dim(sig_df), dim(sig_sat))) { + rowsIDs <- nrow(sig_df) - sig_df %>% dplyr::mutate(ID = rep(1:rowsIDs)) -> sig_df - sig_sat %>% dplyr::mutate(ID = rep(1:rowsIDs)) -> sig_sat + sig_df %>% dplyr::mutate(ID = rep(1:rowsIDs)) -> sig_df + sig_sat %>% dplyr::mutate(ID = rep(1:rowsIDs)) -> sig_sat - combined_tidy <- dplyr::left_join(sig_df, dplyr::select(sig_sat, ID, SignalSaturation), by = "ID") + combined_tidy <- dplyr::left_join(sig_df, dplyr::select(sig_sat, ID, SignalSaturation), by = "ID") - dplyr::select(combined_tidy, -ID) + dplyr::select(combined_tidy, -ID) + } else { + stop("Dims are not equal") + } } - - else {stop("Dims are not equal")} - - } - - } diff --git a/R/krsa_reverse_krsa_plot.R b/R/krsa_reverse_krsa_plot.R index e13bea6..dceded0 100644 --- a/R/krsa_reverse_krsa_plot.R +++ b/R/krsa_reverse_krsa_plot.R @@ -17,57 +17,57 @@ #' #' @examples #' TRUE +krsa_reverse_krsa_plot <- function(chipCov, lfc_table, kinases, lfc_thr, byChip = T, facet = F) { + if (byChip == T) { + lfc_table$colMean <- cut(lfc_table$totalMeanLFC, breaks = c(-Inf, -1 * lfc_thr, lfc_thr, Inf), labels = c("red", "black", "red")) + lfc_table$colFC <- cut(lfc_table$LFC, breaks = c(-Inf, -1 * lfc_thr, lfc_thr, Inf), labels = c("black", "gray", "black")) + } else { + lfc_table$colFC <- cut(lfc_table$LFC, breaks = c(-Inf, -1 * lfc_thr, lfc_thr, Inf), labels = c("red", "black", "red")) + } -krsa_reverse_krsa_plot <- function(chipCov, lfc_table, kinases, lfc_thr, byChip = T, facet = F) { + chipCov %>% + dplyr::filter(Kin %in% kinases) %>% + dplyr::rename(Peptide = "Substrates") -> KinHitPeps - if(byChip == T) { - lfc_table$colMean <- cut(lfc_table$totalMeanLFC, breaks = c(-Inf,-1*lfc_thr, lfc_thr, Inf), labels = c("red", "black", "red")) - lfc_table$colFC <- cut(lfc_table$LFC, breaks = c(-Inf,-1*lfc_thr, lfc_thr, Inf), labels = c("black", "gray", "black")) - } - else { - lfc_table$colFC <- cut(lfc_table$LFC, breaks = c(-Inf,-1*lfc_thr, lfc_thr, Inf), labels = c("red", "black", "red")) - } + dplyr::left_join(KinHitPeps, lfc_table, by = "Peptide") -> combined_data - chipCov %>% - dplyr::filter(Kin %in% kinases) %>% - dplyr::rename(Peptide = "Substrates") -> KinHitPeps + if (byChip == T && facet == T) { + combined_data %>% + dplyr::filter(!is.na(totalMeanLFC)) %>% + dplyr::select(Kin, Peptide, totalMeanLFC, colMean, Barcode) %>% + dplyr::rename(LFC = totalMeanLFC, colFC = colMean) %>% + dplyr::distinct() -> combined_data + } else if (byChip == T && facet == F) { + combined_data %>% + dplyr::filter(!is.na(totalMeanLFC)) %>% + dplyr::select(Kin, Peptide, totalMeanLFC, colMean) %>% + dplyr::rename(LFC = totalMeanLFC, colFC = colMean) %>% + dplyr::distinct() -> combined_data + } else { + combined_data %>% + dplyr::select(Kin, Peptide, LFC, colFC) %>% + dplyr::distinct() -> combined_data + } - dplyr::left_join(KinHitPeps, lfc_table, by = "Peptide") -> combined_data - if(byChip == T && facet == T) { combined_data %>% - dplyr::filter(!is.na(totalMeanLFC)) %>% - dplyr::select(Kin, Peptide,totalMeanLFC, colMean, Barcode) %>% - dplyr::rename(LFC = totalMeanLFC, colFC = colMean) %>% - dplyr::distinct() -> combined_data - } - else if(byChip == T && facet == F) { - combined_data %>% - dplyr::filter(!is.na(totalMeanLFC)) %>% - dplyr::select(Kin, Peptide,totalMeanLFC, colMean) %>% - dplyr::rename(LFC = totalMeanLFC, colFC = colMean) %>% - dplyr::distinct() -> combined_data - } - else { - combined_data %>% - dplyr::select(Kin, Peptide,LFC, colFC) %>% - dplyr::distinct() -> combined_data - } - - - combined_data %>% - ggplot2::ggplot(ggplot2::aes(Kin, LFC)) + - ggplot2::geom_jitter(ggplot2::aes(color = colFC), position = ggplot2::position_jitter(width = .1), show.legend = F) + - ggplot2::geom_hline(yintercept = lfc_thr,linetype="dashed") + - ggplot2::geom_hline(yintercept = -1 * lfc_thr,linetype="dashed") + - ggplot2::labs(y = "Log2 Fold Change", - x= "") + - ggplot2::theme( - axis.text.x = ggplot2::element_text(size = 4, angle = 30) - ) + - ggplot2::scale_colour_identity() + - ggplot2::theme_bw() -> gg - - if(byChip == T && facet == T) {gg + ggplot2::facet_wrap(~Barcode)} else gg + ggplot2::ggplot(ggplot2::aes(Kin, LFC)) + + ggplot2::geom_jitter(ggplot2::aes(color = colFC), position = ggplot2::position_jitter(width = .1), show.legend = F) + + ggplot2::geom_hline(yintercept = lfc_thr, linetype = "dashed") + + ggplot2::geom_hline(yintercept = -1 * lfc_thr, linetype = "dashed") + + ggplot2::labs( + y = "Log2 Fold Change", + x = "" + ) + + ggplot2::theme( + axis.text.x = ggplot2::element_text(size = 4, angle = 30) + ) + + ggplot2::scale_colour_identity() + + ggplot2::theme_bw() -> gg + if (byChip == T && facet == T) { + gg + ggplot2::facet_wrap(~Barcode) + } else { + gg + } } diff --git a/R/krsa_sampling.R b/R/krsa_sampling.R index ccb1213..4cf5067 100644 --- a/R/krsa_sampling.R +++ b/R/krsa_sampling.R @@ -16,15 +16,13 @@ #' #' @examples #' TRUE +krsa_sampling <- function(x, CovFile, map, sum_num) { + CovFile %>% + dplyr::group_by(Kin) %>% + dplyr::summarise( + counts = sum(Substrates %in% sample(map$Substrates, sum_num)) + ) %>% + dplyr::mutate(itr = x) -> res - -krsa_sampling <- function(x,CovFile,map,sum_num) { - CovFile %>% - dplyr::group_by(Kin) %>% - dplyr::summarise( - counts = sum(Substrates %in% sample(map$Substrates,sum_num)) - ) %>% - dplyr::mutate(itr = x) -> res - - return(res) + return(res) } diff --git a/R/krsa_scaleModel.R b/R/krsa_scaleModel.R index c23a430..2ccac10 100644 --- a/R/krsa_scaleModel.R +++ b/R/krsa_scaleModel.R @@ -14,45 +14,44 @@ #' #' @examples #' TRUE - krsa_scaleModel <- function(df, pep, nobs_filter = 0) { + df %>% + dplyr::filter(Peptide %in% pep) %>% + dplyr::select(SampleName, Peptide, Group, Barcode, Signal, ExposureTime) %>% + tidyr::nest(-SampleName, -Peptide, -Group, -Barcode) %>% + dplyr::group_by(SampleName, Peptide) %>% + dplyr::mutate( + fit = purrr::map(data, ~ stats::lm(Signal ~ ExposureTime + 0, data = .x)), + coefs = purrr::map(fit, broom::tidy), + summary = purrr::map(fit, broom::glance), + # .default argument to replace NA/NaN values + slope = purrr::map_dbl(coefs, purrr::pluck, 2, .default = 0), + r.seq = purrr::map_dbl(summary, "r.squared"), + nobs = purrr::map_dbl(summary, "nobs") + ) %>% + dplyr::ungroup() %>% + dplyr::select(Group, Barcode, SampleName, Peptide, slope, r.seq, nobs) %>% + dplyr::mutate( + slope = log2(slope * 100), + slope = ifelse(slope < 0, NA, slope), + slope = ifelse(nobs >= nobs_filter, slope, NA), + r.seq = ifelse(nobs >= nobs_filter, r.seq, NA), + ) -> df_model - df %>% - dplyr::filter(Peptide %in% pep) %>% - dplyr::select(SampleName, Peptide, Group, Barcode, Signal, ExposureTime) %>% - tidyr::nest(-SampleName, -Peptide,-Group, -Barcode) %>% - dplyr::group_by(SampleName, Peptide) %>% - dplyr::mutate( - fit = purrr::map(data,~ stats::lm(Signal ~ ExposureTime + 0, data = .x)), - coefs = purrr::map(fit, broom::tidy), - summary = purrr::map(fit, broom::glance), - #.default argument to replace NA/NaN values - slope = purrr::map_dbl(coefs,purrr::pluck,2,.default = 0), - r.seq = purrr::map_dbl(summary, "r.squared"), - nobs = purrr::map_dbl(summary, "nobs") - ) %>% - dplyr::ungroup() %>% - dplyr::select(Group, Barcode, SampleName, Peptide, slope, r.seq,nobs) %>% - dplyr::mutate(slope = log2(slope*100), - slope = ifelse(slope < 0, NA, slope), - slope = ifelse(nobs >= nobs_filter, slope, NA), - r.seq = ifelse(nobs >= nobs_filter, r.seq, NA), - ) -> df_model - - df_model %>% - dplyr::group_by(Barcode, Peptide) %>% - dplyr::mutate(Mean = mean(slope, na.rm = TRUE)) %>% - dplyr::ungroup() %>% - dplyr::mutate( - slope = ifelse(Mean == 0, 0, slope/Mean) - ) -> df_model_norm - - df_model %>% - dplyr::group_by(Group, Peptide) %>% - dplyr::summarise( - slope = EnvStats::geoMean(slope, na.rm = TRUE), - r.seq=EnvStats::geoMean(r.seq,na.rm = TRUE)) -> df_model_grouped + df_model %>% + dplyr::group_by(Barcode, Peptide) %>% + dplyr::mutate(Mean = mean(slope, na.rm = TRUE)) %>% + dplyr::ungroup() %>% + dplyr::mutate( + slope = ifelse(Mean == 0, 0, slope / Mean) + ) -> df_model_norm - return(list(scaled = df_model, normalized = df_model_norm, grouped = df_model_grouped)) + df_model %>% + dplyr::group_by(Group, Peptide) %>% + dplyr::summarise( + slope = EnvStats::geoMean(slope, na.rm = TRUE), + r.seq = EnvStats::geoMean(r.seq, na.rm = TRUE) + ) -> df_model_grouped + return(list(scaled = df_model, normalized = df_model_norm, grouped = df_model_grouped)) } diff --git a/R/krsa_show_peptides.R b/R/krsa_show_peptides.R index bfcaf7c..abf93ce 100644 --- a/R/krsa_show_peptides.R +++ b/R/krsa_show_peptides.R @@ -13,15 +13,12 @@ #' #' @examples #' TRUE - - krsa_show_peptides <- function(sigPeps_list) { - purrr::map_df(sigPeps_list, pluckPeptides) %>% - dplyr::mutate(Method = names(sigPeps_list)) %>% - dplyr::select(2,1) + purrr::map_df(sigPeps_list, pluckPeptides) %>% + dplyr::mutate(Method = names(sigPeps_list)) %>% + dplyr::select(2, 1) } pluckPeptides <- function(x) { - dplyr::tibble(NumberOfPeptides = length(x) - ) + dplyr::tibble(NumberOfPeptides = length(x)) } diff --git a/R/krsa_top_hits.R b/R/krsa_top_hits.R index 338a3de..bbddb4c 100644 --- a/R/krsa_top_hits.R +++ b/R/krsa_top_hits.R @@ -13,13 +13,11 @@ #' #' @examples #' TRUE - - -krsa_top_hits <- function(zTable,z_thr) { - zTable %>% - dplyr::select(Kinase, AvgZ) %>% - dplyr::distinct() %>% - dplyr::filter(abs(AvgZ) >= z_thr) %>% - dplyr::pull(Kinase) %>% - unique() +krsa_top_hits <- function(zTable, z_thr) { + zTable %>% + dplyr::select(Kinase, AvgZ) %>% + dplyr::distinct() %>% + dplyr::filter(abs(AvgZ) >= z_thr) %>% + dplyr::pull(Kinase) %>% + unique() } diff --git a/R/krsa_violin_plot.R b/R/krsa_violin_plot.R index 976cab0..a38d9a4 100644 --- a/R/krsa_violin_plot.R +++ b/R/krsa_violin_plot.R @@ -19,25 +19,29 @@ #' #' @examples #' TRUE +krsa_violin_plot <- function(data, peptides, facet_factor, facet = T, samples = NULL, groups = NULL, show_legend = F) { + data %>% + dplyr::filter(Peptide %in% peptides) %>% + { + if (!is.null(samples)) dplyr::filter(., SampleName %in% samples) else . + } %>% + { + if (!is.null(groups)) dplyr::filter(., Group %in% groups) else . + } %>% + ggplot2::ggplot(ggplot2::aes(if (facet_factor == "Group") SampleName else Group, slope)) + + ggplot2::geom_violin(ggplot2::aes(fill = Group), show.legend = show_legend) + + ggplot2::geom_point(size = 1.5) + + ggplot2::geom_line(ggplot2::aes(group = Peptide), alpha = 1 / 2) + + ggplot2::labs( + x = "", + y = "Signal Intensity" + ) + + ggplot2::theme(axis.text.x = ggplot2::element_text(size = 6)) + + ggplot2::theme_bw() -> gg -krsa_violin_plot <- function(data, peptides,facet_factor,facet = T,samples = NULL, groups = NULL, show_legend = F) { - - data %>% - dplyr::filter(Peptide %in% peptides) %>% - {if(!is.null(samples)) dplyr::filter(.,SampleName %in% samples) else .} %>% - {if(!is.null(groups)) dplyr::filter(.,Group %in% groups) else .} %>% - ggplot2::ggplot(ggplot2::aes(if(facet_factor == "Group") SampleName else Group, slope)) + - ggplot2::geom_violin(ggplot2::aes(fill = Group), show.legend = show_legend) + - ggplot2::geom_point(size = 1.5)+ - ggplot2::geom_line(ggplot2::aes(group = Peptide), alpha = 1/2) + - ggplot2::labs( - x = "", - y = "Signal Intensity" - ) + - ggplot2::theme(axis.text.x = ggplot2::element_text(size = 6)) + - ggplot2::theme_bw() -> gg - - if(facet == T) {gg + ggplot2::facet_wrap(facet_factor, scales = "free")} - else {gg} - + if (facet == T) { + gg + ggplot2::facet_wrap(facet_factor, scales = "free") + } else { + gg + } } diff --git a/R/krsa_violin_plot_grouped.R b/R/krsa_violin_plot_grouped.R index 2e934a9..71d8b5c 100644 --- a/R/krsa_violin_plot_grouped.R +++ b/R/krsa_violin_plot_grouped.R @@ -23,54 +23,55 @@ #' #' @examples #' TRUE +krsa_violin_plot_grouped <- function(data, peptides, grp_comp = NULL, groups = NULL, test = F, test_method = "wilcox.test", + violin = TRUE, dots = FALSE, lines = FALSE, avg_line = T, ...) { + data %>% + dplyr::filter(Peptide %in% peptides) %>% + dplyr::filter(!is.na(slope)) %>% + { + if (!is.null(groups)) dplyr::filter(., Group %in% groups) else . + } -> data -krsa_violin_plot_grouped <- function(data, peptides,grp_comp = NULL,groups = NULL,test = F, test_method = "wilcox.test", - violin = TRUE, dots = FALSE, lines = FALSE, avg_line = T, ...) { - - data %>% - dplyr::filter(Peptide %in% peptides) %>% - dplyr::filter(!is.na(slope)) %>% - {if(!is.null(groups)) dplyr::filter(.,Group %in% groups) else .} -> data - - data %>% - ggplot2::ggplot(ggplot2::aes(Group, slope)) -> gg - - if(violin) { - gg <- gg + ggplot2::geom_violin(ggplot2::aes(fill = Group), show.legend = F, trim = F, width=0.4) - } + data %>% + ggplot2::ggplot(ggplot2::aes(Group, slope)) -> gg + if (violin) { + gg <- gg + ggplot2::geom_violin(ggplot2::aes(fill = Group), show.legend = F, trim = F, width = 0.4) + } - gg <- gg + ggplot2::geom_boxplot(ggplot2::aes(fill = Group),width=0.1, show.legend = F) - if(dots) { - gg <- gg + ggplot2::geom_dotplot(binaxis='y', stackdir='center', dotsize=1, alpha = 1/2) - } + gg <- gg + ggplot2::geom_boxplot(ggplot2::aes(fill = Group), width = 0.1, show.legend = F) - if(lines) { - gg <- gg + ggplot2::geom_line(ggplot2::aes(group = Peptide), alpha = 1/2) - } - if(test & !is.null(grp_comp)) { - gg <- gg + ggsignif::geom_signif( - comparisons = grp_comp, - test = test_method, - ... - ) - } + if (dots) { + gg <- gg + ggplot2::geom_dotplot(binaxis = "y", stackdir = "center", dotsize = 1, alpha = 1 / 2) + } - if(avg_line) { - data %>% - group_by(Group) %>% - summarise(slopeM = mean(slope)) -> avg_data + if (lines) { + gg <- gg + ggplot2::geom_line(ggplot2::aes(group = Peptide), alpha = 1 / 2) + } + if (test & !is.null(grp_comp)) { + gg <- gg + ggsignif::geom_signif( + comparisons = grp_comp, + test = test_method, + ... + ) + } - gg <- gg + ggplot2::geom_line(data = avg_data, ggplot2::aes(Group, slopeM, group = 1), - color = "black", size = 3) - } + if (avg_line) { + data %>% + group_by(Group) %>% + summarise(slopeM = mean(slope)) -> avg_data - gg + - ggplot2::labs( - x = "", - y = "Signal Intensity" - ) + - ggplot2::theme_bw() + gg <- gg + ggplot2::geom_line( + data = avg_data, ggplot2::aes(Group, slopeM, group = 1), + color = "black", size = 3 + ) + } + gg + + ggplot2::labs( + x = "", + y = "Signal Intensity" + ) + + ggplot2::theme_bw() } diff --git a/R/krsa_waterfall.R b/R/krsa_waterfall.R index 19c6e7e..eb3c52a 100644 --- a/R/krsa_waterfall.R +++ b/R/krsa_waterfall.R @@ -16,53 +16,46 @@ #' #' @examples #' TRUE - - -krsa_waterfall <- function(data, lfc_thr, byChip = T, sd_thr =Inf) { - - if(byChip == T) { - - data %>% - dplyr::filter(LFC_SD <= sd_thr) -> data - - data$colMean <- cut(data$totalMeanLFC, breaks = c(-Inf,-1*lfc_thr, lfc_thr, Inf), labels = c("red", "black", "red")) - data$colFC <- cut(data$LFC, breaks = c(-Inf,-1*lfc_thr, lfc_thr, Inf), labels = c("black", "gray", "black")) - - } - else { - data$colFC <- cut(data$LFC, breaks = c(-Inf,-1*lfc_thr, lfc_thr, Inf), labels = c("red", "black", "red")) - } - - ggplot2::ggplot(data) -> gg - - - - if(byChip == T) { - gg <- gg + - ggplot2::geom_point(ggplot2::aes(LFC, stats::reorder(Peptide,LFC)), color = data$colFC, size = 0.75) + - ggplot2::geom_point(ggplot2::aes(totalMeanLFC, stats::reorder(Peptide,totalMeanLFC)), color = data$colMean, size = 2) + - ggplot2::geom_line(ggplot2::aes(LFC, stats::reorder(Peptide,totalMeanLFC)), alpha = 1/3) - } - - else { - gg <- gg + - ggplot2::geom_segment(ggplot2::aes(x=0, xend= LFC, y= stats::reorder(Peptide,LFC), yend= stats::reorder(Peptide,LFC)), color="grey") + - ggplot2::geom_point(ggplot2::aes(LFC, stats::reorder(Peptide,LFC)), color = data$colFC, size = 2) - } - - - - - gg + - ggplot2::geom_vline(xintercept = 0) + - ggplot2::geom_vline(xintercept = -1 * lfc_thr,linetype="dashed") + - ggplot2::geom_vline(xintercept = lfc_thr,linetype="dashed")+ - ggplot2::labs(x = "Log2 Fold Change", - y="" - ) + - ggplot2::theme( - plot.title = ggplot2::element_text(size = 7), - axis.text.y = ggplot2::element_text(size= 5) - ) + - ggplot2::theme_bw() +krsa_waterfall <- function(data, lfc_thr, byChip = T, sd_thr = Inf) { + if (byChip == T) { + data %>% + dplyr::filter(LFC_SD <= sd_thr) -> data + + data$colMean <- cut(data$totalMeanLFC, breaks = c(-Inf, -1 * lfc_thr, lfc_thr, Inf), labels = c("red", "black", "red")) + data$colFC <- cut(data$LFC, breaks = c(-Inf, -1 * lfc_thr, lfc_thr, Inf), labels = c("black", "gray", "black")) + } else { + data$colFC <- cut(data$LFC, breaks = c(-Inf, -1 * lfc_thr, lfc_thr, Inf), labels = c("red", "black", "red")) + } + + ggplot2::ggplot(data) -> gg + + + + if (byChip == T) { + gg <- gg + + ggplot2::geom_point(ggplot2::aes(LFC, stats::reorder(Peptide, LFC)), color = data$colFC, size = 0.75) + + ggplot2::geom_point(ggplot2::aes(totalMeanLFC, stats::reorder(Peptide, totalMeanLFC)), color = data$colMean, size = 2) + + ggplot2::geom_line(ggplot2::aes(LFC, stats::reorder(Peptide, totalMeanLFC)), alpha = 1 / 3) + } else { + gg <- gg + + ggplot2::geom_segment(ggplot2::aes(x = 0, xend = LFC, y = stats::reorder(Peptide, LFC), yend = stats::reorder(Peptide, LFC)), color = "grey") + + ggplot2::geom_point(ggplot2::aes(LFC, stats::reorder(Peptide, LFC)), color = data$colFC, size = 2) + } + + + + + gg + + ggplot2::geom_vline(xintercept = 0) + + ggplot2::geom_vline(xintercept = -1 * lfc_thr, linetype = "dashed") + + ggplot2::geom_vline(xintercept = lfc_thr, linetype = "dashed") + + ggplot2::labs( + x = "Log2 Fold Change", + y = "" + ) + + ggplot2::theme( + plot.title = ggplot2::element_text(size = 7), + axis.text.y = ggplot2::element_text(size = 5) + ) + + ggplot2::theme_bw() } diff --git a/R/krsa_zscores_plot.R b/R/krsa_zscores_plot.R index 55ab2e0..5d9701d 100644 --- a/R/krsa_zscores_plot.R +++ b/R/krsa_zscores_plot.R @@ -13,33 +13,32 @@ #' #' @examples #' TRUE - - krsa_zscores_plot <- function(Ztable) { - Ztable %>% - dplyr::filter(!Kinase %in% c("VRK2", "BARK1")) %>% - dplyr::mutate( - breaks = cut( - abs(AvgZ), - breaks = c(0, 1, 1.5, 2, Inf), - right = F, - labels = c("Z <= 1", "1 >= Z < 1.5", "1.5 >= Z < 2", "Z >= 2") - )) %>% - ggplot2::ggplot() + - ggplot2::geom_line(ggplot2::aes(Z, stats::reorder(Kinase,AvgZ)), alpha = 1/3) + - ggplot2::geom_point(ggplot2::aes(Z, stats::reorder(Kinase,AvgZ)), color = "grey", size = 1) + - ggplot2::geom_point(ggplot2::aes(AvgZ, stats::reorder(Kinase,AvgZ), color = breaks), size = 2) + - ggplot2::geom_vline(xintercept = 0) + - ggplot2::geom_vline(xintercept = c(-1, -1.5, -2, 1, 1.5, 2),linetype="dashed") + - ggplot2::scale_color_brewer(palette="Reds", drop = F, guide = ggplot2::guide_legend(reverse=TRUE, title = "")) + - ggplot2::labs( - x = "Z", - y="", - shape = "cutoff" - ) + - ggplot2::theme( - plot.title = ggplot2::element_text(size = 7), - axis.text.y = ggplot2::element_text(size= 6) - ) + - ggplot2::theme_bw() + Ztable %>% + dplyr::filter(!Kinase %in% c("VRK2", "BARK1")) %>% + dplyr::mutate( + breaks = cut( + abs(AvgZ), + breaks = c(0, 1, 1.5, 2, Inf), + right = F, + labels = c("Z <= 1", "1 >= Z < 1.5", "1.5 >= Z < 2", "Z >= 2") + ) + ) %>% + ggplot2::ggplot() + + ggplot2::geom_line(ggplot2::aes(Z, stats::reorder(Kinase, AvgZ)), alpha = 1 / 3) + + ggplot2::geom_point(ggplot2::aes(Z, stats::reorder(Kinase, AvgZ)), color = "grey", size = 1) + + ggplot2::geom_point(ggplot2::aes(AvgZ, stats::reorder(Kinase, AvgZ), color = breaks), size = 2) + + ggplot2::geom_vline(xintercept = 0) + + ggplot2::geom_vline(xintercept = c(-1, -1.5, -2, 1, 1.5, 2), linetype = "dashed") + + ggplot2::scale_color_brewer(palette = "Reds", drop = F, guide = ggplot2::guide_legend(reverse = TRUE, title = "")) + + ggplot2::labs( + x = "Z", + y = "", + shape = "cutoff" + ) + + ggplot2::theme( + plot.title = ggplot2::element_text(size = 7), + axis.text.y = ggplot2::element_text(size = 6) + ) + + ggplot2::theme_bw() } diff --git a/R/parse_BN_crosstabFile.R b/R/parse_BN_crosstabFile.R index a68a934..de72850 100644 --- a/R/parse_BN_crosstabFile.R +++ b/R/parse_BN_crosstabFile.R @@ -11,51 +11,48 @@ #' #' @examples #' TRUE - parse_BN_crosstabFile <- function(file_path, type = c("Signal", "SignalSaturation")) { - # Parse a BN crosstab file - # Created 2020-02-14 - # Last Updated 2020-02-14 - - df <- utils::read.csv(file_path, - sep = "\t", header = F, stringsAsFactors = F) - - meta_rows <- which(df[,1] == "") - epmty_col <- which(df[meta_rows[1],] == "") + # Parse a BN crosstab file + # Created 2020-02-14 + # Last Updated 2020-02-14 - meta_info <- df[meta_rows,(epmty_col[length(epmty_col)]+1):ncol(df)] + df <- utils::read.csv(file_path, + sep = "\t", header = F, stringsAsFactors = F + ) - rows_end <- nrow(df) - rows_start <- meta_rows[(length(meta_rows))]+2 + meta_rows <- which(df[, 1] == "") + epmty_col <- which(df[meta_rows[1], ] == "") - data <- df[rows_start:rows_end,] - data <- data[,c(1,(epmty_col[length(epmty_col)]+2):ncol(data))] + meta_info <- df[meta_rows, (epmty_col[length(epmty_col)] + 1):ncol(df)] - df2 <- data.frame(t(data[-1]), stringsAsFactors = F) - colnames(df2) <- data[, 1] - colnames(df2) <- make.unique(colnames(df2)) + rows_end <- nrow(df) + rows_start <- meta_rows[(length(meta_rows))] + 2 - df3 <- data.frame(t(meta_info[-1]), stringsAsFactors = F) - colnames(df3) <- meta_info[, 1] - cbind(df3,df2) -> df4 + data <- df[rows_start:rows_end, ] + data <- data[, c(1, (epmty_col[length(epmty_col)] + 2):ncol(data))] - df4 %>% - tidyr::pivot_longer(cols = (length(meta_rows)+1):ncol(.), names_to = "Peptide", values_to = type) -> tidydata + df2 <- data.frame(t(data[-1]), stringsAsFactors = F) + colnames(df2) <- data[, 1] + colnames(df2) <- make.unique(colnames(df2)) - tidydata$`Exposure time` <- as.numeric(tidydata$`Exposure time`) - tidydata$Cycle <- as.numeric(tidydata$Cycle) + df3 <- data.frame(t(meta_info[-1]), stringsAsFactors = F) + colnames(df3) <- meta_info[, 1] + cbind(df3, df2) -> df4 - if(type == "Signal") { - tidydata$Signal <- as.numeric(tidydata$Signal) - } + df4 %>% + tidyr::pivot_longer(cols = (length(meta_rows) + 1):ncol(.), names_to = "Peptide", values_to = type) -> tidydata - else { - tidydata$SignalSaturation <- as.numeric(tidydata$SignalSaturation) - } + tidydata$`Exposure time` <- as.numeric(tidydata$`Exposure time`) + tidydata$Cycle <- as.numeric(tidydata$Cycle) - tidydata %>% - dplyr::rename(SampleName = `Sample name`,ExposureTime = `Exposure time`) -> tidydata + if (type == "Signal") { + tidydata$Signal <- as.numeric(tidydata$Signal) + } else { + tidydata$SignalSaturation <- as.numeric(tidydata$SignalSaturation) + } - return(tidydata) + tidydata %>% + dplyr::rename(SampleName = `Sample name`, ExposureTime = `Exposure time`) -> tidydata + return(tidydata) } From d66eabf7acbbed687a9aec6f434d4045e5926200 Mon Sep 17 00:00:00 2001 From: Ali Sajid Imami <395482+AliSajid@users.noreply.github.com> Date: Sun, 23 Jun 2024 22:59:48 -0400 Subject: [PATCH 06/12] =?UTF-8?q?Bump=20version:=201.99.4=20=E2=86=92=201.?= =?UTF-8?q?99.5?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- .bumpversion.cfg | 2 +- DESCRIPTION | 2 +- codemeta.json | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/.bumpversion.cfg b/.bumpversion.cfg index 9767191..2397f44 100644 --- a/.bumpversion.cfg +++ b/.bumpversion.cfg @@ -1,5 +1,5 @@ [bumpversion] -current_version = 1.99.4 +current_version = 1.99.5 commit = True commit_args = --no-verify tag = True diff --git a/DESCRIPTION b/DESCRIPTION index 6eb0cc5..525354d 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -1,6 +1,6 @@ Package: KRSA Title: KRSA: Kinome Random Sampling Analyzer -Version: 1.99.4 +Version: 1.99.5 Authors@R: c(person(c("Ali", "Sajid"), "Imami", , "Ali.Sajid.Imami@gmail.com", role = c("aut", "cre"), comment = c(ORCID = "0000-0003-3684-3539")), diff --git a/codemeta.json b/codemeta.json index 567ce56..5f5f616 100644 --- a/codemeta.json +++ b/codemeta.json @@ -7,7 +7,7 @@ "codeRepository": "https://github.com/CogDisResLab/KRSA", "issueTracker": "https://github.com/CogDisResLab/KRSA/issues", "license": "https://spdx.org/licenses/MIT", - "version": "1.99.4", + "version": "1.99.5", "programmingLanguage": { "@type": "ComputerLanguage", "name": "R", From 0a1ae314f62d880da25410f9215daebae894c7b4 Mon Sep 17 00:00:00 2001 From: Ali Sajid Imami <395482+AliSajid@users.noreply.github.com> Date: Sun, 23 Jun 2024 23:23:29 -0400 Subject: [PATCH 07/12] feat: update the stored datasets Signed-off-by: Ali Sajid Imami <395482+AliSajid@users.noreply.github.com> --- DESCRIPTION | 1 + R/data.R | 27 ++++++++++++------ R/enrichr_lib_call.R | 9 ++++-- R/parse_BN_crosstabFile.R | 13 +++++++-- codemeta.json | 2 +- data-raw/data_process.R | 22 +++++++------- data/KRSA_Mapping_PTK_PamChip_86402_v1.rda | Bin 3126 -> 3144 bytes data/KRSA_Mapping_STK_PamChip_87102_v1.rda | Bin 3131 -> 3120 bytes data/KRSA_coverage_PTK_PamChip_86402_v1.rda | Bin 3573 -> 3555 bytes data/KRSA_coverage_STK_PamChip_87102_v1.rda | Bin 5154 -> 5166 bytes data/KRSA_coverage_STK_PamChip_87102_v2.rda | Bin 5162 -> 5156 bytes data/KRSA_layout_PTK_PamChip_86402_v1.rda | Bin 10222 -> 10506 bytes data/KRSA_layout_STK_PamChip_87102_v1.rda | Bin 9500 -> 9640 bytes .../KRSA_uka_mapping_PTK_PamChip_86402_v1.rda | Bin 8720 -> 8718 bytes .../KRSA_uka_mapping_STK_PamChip_87102_v1.rda | Bin 14607 -> 14611 bytes data/ballModel_edges.rda | Bin 1681 -> 1687 bytes data/ballModel_nodes.rda | Bin 900 -> 909 bytes inst/WORDLIST | 1 + man/KRSA_Mapping_PTK_PamChip_86402_v1.Rd | 3 +- man/KRSA_Mapping_STK_PamChip_87102_v1.Rd | 3 +- man/krsa_extractEndPoint.Rd | 3 +- man/krsa_extractEndPointMaxExp.Rd | 3 +- 22 files changed, 57 insertions(+), 30 deletions(-) diff --git a/DESCRIPTION b/DESCRIPTION index 525354d..f5113c7 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -53,3 +53,4 @@ Config/testthat/edition: 3 Config/testthat/parallel: TRUE Roxygen: list(markdown = TRUE) RoxygenNote: 7.3.1 +LazyData: false diff --git a/R/data.R b/R/data.R index e1b591e..917ff83 100644 --- a/R/data.R +++ b/R/data.R @@ -27,7 +27,8 @@ #' KRSA kinase coverage file for PamChip 86402 PTK (v1 mapping) #' -#' A data frame of the built-in KRSA kinase coverage file for PamChip 86402 PTK (v1 mapping) +#' A data frame of the built-in KRSA kinase coverage file for PamChip +#' 86402 PTK (v1 mapping) #' #' @format A data frame with 1278 rows and 2 variables: #' \describe{ @@ -39,7 +40,8 @@ #' KRSA kinase coverage file for PamChip 87102 STK (v1 mapping) #' -#' A data frame of the built-in KRSA kinase coverage file for PamChip 87102 STK (v1 mapping) +#' A data frame of the built-in KRSA kinase coverage file for PamChip +#' 87102 STK (v1 mapping) #' #' @format A data frame with 2423 rows and 2 variables: #' \describe{ @@ -49,9 +51,11 @@ #' "KRSA_coverage_STK_PamChip_87102_v1" -#' KRSA kinase coverage file for PamChip 87102 STK (v2 mapping, removed PDK kinase) +#' KRSA kinase coverage file for PamChip 87102 STK (v2 mapping, +#' removed PDK kinase) #' -#' A data frame of the built-in KRSA kinase coverage file for PamChip 87102 STK (v2 mapping) +#' A data frame of the built-in KRSA kinase coverage file for +#' PamChip 87102 STK (v2 mapping) #' #' @format A data frame with 2423 rows and 2 variables: #' \describe{ @@ -64,12 +68,14 @@ #' Protein-Protein Interactions based on PhosphositePlus database #' -#' A data frame of the known Protein-Protein Interactions based on PhosphositePlus database +#' A data frame of the known Protein-Protein Interactions based on +#' PhosphositePlus database #' #' @format A data frame with 179 rows and 2 variables: #' \describe{ #' \item{FinName}{Kinase Family Name} -#' \item{count}{Number of collapsed kinases under that kinase family, it's not used in package} +#' \item{count}{Number of collapsed kinases under that kinase family, +#' it's not used in package} #' } #' "ballModel_nodes" @@ -77,7 +83,8 @@ #' Protein-Protein Interactions based on PhosphositePlus database #' -#' A data frame of the known Protein-Protein Interactions based on PhosphositePlus database +#' A data frame of the known Protein-Protein Interactions based on +#' PhosphositePlus database #' #' @format A data frame with 592 rows and 2 variables: #' \describe{ @@ -89,7 +96,8 @@ #' CDRL Complete mapping of peptides to HGNC symbols (STK PamChip 87102) #' -#' A data frame of CDRL Complete mapping CDRL Complete mapping of peptides to HGNC symbols (STK PamChip 87102) +#' A data frame of CDRL Complete mapping CDRL Complete mapping of peptides +#' to HGNC symbols (STK PamChip 87102) #' #' @format A data frame with 141 rows and 2 variables: #' \describe{ @@ -99,7 +107,8 @@ #' CDRL Complete mapping of peptides to HGNC symbols (PTK PamChip 86402) #' -#' A data frame of CDRL Complete mapping CDRL Complete mapping of peptides to HGNC symbols (PTK PamChip 86402) +#' A data frame of CDRL Complete mapping CDRL Complete mapping of peptides to +#' HGNC symbols (PTK PamChip 86402) #' #' @format A data frame with 193 rows and 2 variables: #' \describe{ diff --git a/R/enrichr_lib_call.R b/R/enrichr_lib_call.R index cf14994..3ff382a 100644 --- a/R/enrichr_lib_call.R +++ b/R/enrichr_lib_call.R @@ -1,6 +1,8 @@ #' Runs enrichr api (single GET call for a geneset library) #' -#' This function takes in the geneset library name from Enrichr and userListId (id created by enrichr api) sand retruns tidy dataframe of all geneset terms in that library +#' This function takes in the geneset library name from Enrichr and +#' userListId (id created by enrichr api) sand retruns tidy dataframe of +#' all geneset terms in that library #' #' @param lib geneset library name from Enrichr #' @param userListId id created by the POST enrichr api call @@ -29,7 +31,10 @@ enrichr_lib_call <- function(lib, userListId) { base::message(base::paste0(lib, " ...")) - res <- base::suppressMessages(jsonlite::fromJSON(httr::content(httr::GET(full_link), as = "text"))) + res <- base::suppressMessages(jsonlite::fromJSON(httr::content( + httr::GET(full_link), + as = "text" + ))) purrr::map(res[[1]], process_output) %>% purrr::map_df(dplyr::bind_rows) %>% diff --git a/R/parse_BN_crosstabFile.R b/R/parse_BN_crosstabFile.R index de72850..ad3f2a8 100644 --- a/R/parse_BN_crosstabFile.R +++ b/R/parse_BN_crosstabFile.R @@ -1,6 +1,7 @@ #' Parse bionavigator crosstab files #' -#' Main function that parses bionavigator crosstab view files. Takes in path to file and type (either Signal or SignalSaturation) +#' Main function that parses bionavigator crosstab view files. Takes in path +#' to file and type (either Signal or SignalSaturation) #' #' @param file_path path to BN crosstab file #' @param type Name of the value (either Signal or SignalSaturation) @@ -11,7 +12,10 @@ #' #' @examples #' TRUE -parse_BN_crosstabFile <- function(file_path, type = c("Signal", "SignalSaturation")) { +parse_BN_crosstabFile <- function(file_path, type = c( + "Signal", + "SignalSaturation" + )) { # Parse a BN crosstab file # Created 2020-02-14 # Last Updated 2020-02-14 @@ -52,7 +56,10 @@ parse_BN_crosstabFile <- function(file_path, type = c("Signal", "SignalSaturatio } tidydata %>% - dplyr::rename(SampleName = `Sample name`, ExposureTime = `Exposure time`) -> tidydata + dplyr::rename( + SampleName = `Sample name`, + ExposureTime = `Exposure time` + ) -> tidydata return(tidydata) } diff --git a/codemeta.json b/codemeta.json index 5f5f616..ba09623 100644 --- a/codemeta.json +++ b/codemeta.json @@ -363,7 +363,7 @@ "applicationCategory": "Proteomics", "isPartOf": "https://cdrlprojects.org/", "keywords": ["Kinase", "Phosphatases", "PamChip", "Kinome", "RandomSampling", "PermutationAnalysis", "rstats", "r-package", "r"], - "fileSize": "4987.039KB", + "fileSize": "4195.574KB", "readme": "https://github.com/CogDisResLab/KRSA/blob/devel/README.md", "contIntegration": ["https://github.com/CogDisResLab/KRSA/actions/workflows/R-CMD-check.yaml", "https://github.com/CogDisResLab/KRSA/actions/workflows/pkgdown.yml"], "developmentStatus": ["https://www.tidyverse.org/lifecycle/#experimental", "https://www.repostatus.org/#active"] diff --git a/data-raw/data_process.R b/data-raw/data_process.R index 2ed4dfe..4b67191 100644 --- a/data-raw/data_process.R +++ b/data-raw/data_process.R @@ -1,26 +1,26 @@ library(tidyverse) -KRSA_Mapping_STK_PamChip_87102_v1 <- read_csv("KRSA_Mapping_STK_PamChip_87102_v1.csv") +KRSA_Mapping_STK_PamChip_87102_v1 <- read_csv("data-raw/KRSA_Mapping_STK_PamChip_87102_v1.csv") -KRSA_Mapping_PTK_PamChip_86402_v1 <- read_csv("KRSA_Mapping_PTK_PamChip_86402_v1.csv") +KRSA_Mapping_PTK_PamChip_86402_v1 <- read_csv("data-raw/KRSA_Mapping_PTK_PamChip_86402_v1.csv") -KRSA_coverage_STK_PamChip_87102_v1 <- readRDS("KRSA_coverage_STK_PamChip_87102_v1.rds") +KRSA_coverage_STK_PamChip_87102_v1 <- readRDS("data-raw/KRSA_coverage_STK_PamChip_87102_v1.rds") -KRSA_layout_STK_PamChip_87102_v1 <- readr::read_tsv("STK-87102-Array-Layout.txt") +KRSA_layout_STK_PamChip_87102_v1 <- readr::read_tsv("data-raw/STK-87102-Array-Layout.txt") -KRSA_layout_PTK_PamChip_86402_v1 <- readr::read_tsv("PTK-86402-Array-Layout.txt") +KRSA_layout_PTK_PamChip_86402_v1 <- readr::read_tsv("data-raw/PTK-86402-Array-Layout.txt") -KRSA_uka_mapping_PTK_PamChip_86402_v1 <- readr::read_csv("uka_pep2kinase_PTK.csv") +KRSA_uka_mapping_PTK_PamChip_86402_v1 <- readr::read_csv("data-raw/uka_pep2kinase_PTK.csv") -KRSA_uka_mapping_STK_PamChip_87102_v1 <- readr::read_csv("uka_pep2kinase_STK.csv") +KRSA_uka_mapping_STK_PamChip_87102_v1 <- readr::read_csv("data-raw/uka_pep2kinase_STK.csv") # removed pdk KRSA_coverage_STK_PamChip_87102_v1 %>% dplyr::filter(Kin != "PDK") -> KRSA_coverage_STK_PamChip_87102_v2 -KRSA_coverage_PTK_PamChip_86402_v1 <- readRDS("KRSA_coverage_PTK_PamChip_86402_v1.rds") +KRSA_coverage_PTK_PamChip_86402_v1 <- readRDS("data-raw/KRSA_coverage_PTK_PamChip_86402_v1.rds") -ballModel_nodes <- readRDS("FinNodes_Final_FF.rds") -ballModel_edges <- readRDS("FinEdges_Final_FF.rds") +ballModel_nodes <- readRDS("data-raw/FinNodes_Final_FF.rds") +ballModel_edges <- readRDS("data-raw/FinEdges_Final_FF.rds") usethis::use_data(KRSA_Mapping_STK_PamChip_87102_v1, KRSA_Mapping_PTK_PamChip_86402_v1, @@ -33,5 +33,5 @@ usethis::use_data(KRSA_Mapping_STK_PamChip_87102_v1, KRSA_uka_mapping_STK_PamChip_87102_v1, ballModel_nodes, ballModel_edges, - overwrite = T + overwrite = TRUE ) diff --git a/data/KRSA_Mapping_PTK_PamChip_86402_v1.rda b/data/KRSA_Mapping_PTK_PamChip_86402_v1.rda index 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Content-Transfer-Encoding: 8bit --- .bumpversion.cfg | 2 +- DESCRIPTION | 2 +- codemeta.json | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/.bumpversion.cfg b/.bumpversion.cfg index 2397f44..8040c95 100644 --- a/.bumpversion.cfg +++ b/.bumpversion.cfg @@ -1,5 +1,5 @@ [bumpversion] -current_version = 1.99.5 +current_version = 1.99.6 commit = True commit_args = --no-verify tag = True diff --git a/DESCRIPTION b/DESCRIPTION index f5113c7..a8b9dd1 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -1,6 +1,6 @@ Package: KRSA Title: KRSA: Kinome Random Sampling Analyzer -Version: 1.99.5 +Version: 1.99.6 Authors@R: c(person(c("Ali", "Sajid"), "Imami", , "Ali.Sajid.Imami@gmail.com", role = c("aut", "cre"), comment = c(ORCID = "0000-0003-3684-3539")), diff --git a/codemeta.json b/codemeta.json index ba09623..58aec78 100644 --- a/codemeta.json +++ b/codemeta.json @@ -7,7 +7,7 @@ "codeRepository": "https://github.com/CogDisResLab/KRSA", "issueTracker": "https://github.com/CogDisResLab/KRSA/issues", "license": "https://spdx.org/licenses/MIT", - "version": "1.99.5", + "version": "1.99.6", "programmingLanguage": { "@type": "ComputerLanguage", "name": "R", From bcf30ba0170b9ba3f8166fafeb3f6ef984b4d52e Mon Sep 17 00:00:00 2001 From: Ali Sajid Imami <395482+AliSajid@users.noreply.github.com> Date: Sun, 23 Jun 2024 23:38:31 -0400 Subject: [PATCH 09/12] ci: fixed the neurogenomics workflow Signed-off-by: Ali Sajid Imami <395482+AliSajid@users.noreply.github.com> --- .github/workflows/rworkflows.yml | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/.github/workflows/rworkflows.yml b/.github/workflows/rworkflows.yml index 2844511..590421e 100644 --- a/.github/workflows/rworkflows.yml +++ b/.github/workflows/rworkflows.yml @@ -38,13 +38,13 @@ jobs: steps: - uses: neurogenomics/rworkflows@master with: - run_bioccheck: ${{ true }} - run_rcmdcheck: ${{ true }} + run_bioccheck: ${{ false }} + run_rcmdcheck: ${{ false }} as_cran: ${{ true }} - run_vignettes: ${{ true }} - has_testthat: ${{ true }} - run_covr: ${{ true }} - run_pkgdown: ${{ true }} + run_vignettes: ${{ false }} + has_testthat: ${{ false }} + run_covr: ${{ false }} + run_pkgdown: ${{ false }} has_runit: ${{ false }} has_latex: ${{ false }} GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} From a774ca03f226c4b529109a342a85603c70000672 Mon Sep 17 00:00:00 2001 From: Ali Sajid Imami <395482+AliSajid@users.noreply.github.com> Date: Sun, 23 Jun 2024 23:38:31 -0400 Subject: [PATCH 10/12] =?UTF-8?q?Bump=20version:=201.99.6=20=E2=86=92=201.?= =?UTF-8?q?99.7?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- .bumpversion.cfg | 2 +- DESCRIPTION | 2 +- codemeta.json | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/.bumpversion.cfg b/.bumpversion.cfg index 8040c95..c567d20 100644 --- a/.bumpversion.cfg +++ b/.bumpversion.cfg @@ -1,5 +1,5 @@ [bumpversion] -current_version = 1.99.6 +current_version = 1.99.7 commit = True commit_args = --no-verify tag = True diff --git a/DESCRIPTION b/DESCRIPTION index a8b9dd1..35c1857 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -1,6 +1,6 @@ Package: KRSA Title: KRSA: Kinome Random Sampling Analyzer -Version: 1.99.6 +Version: 1.99.7 Authors@R: c(person(c("Ali", "Sajid"), "Imami", , "Ali.Sajid.Imami@gmail.com", role = c("aut", "cre"), comment = c(ORCID = "0000-0003-3684-3539")), diff --git a/codemeta.json b/codemeta.json index 58aec78..2531cec 100644 --- a/codemeta.json +++ b/codemeta.json @@ -7,7 +7,7 @@ "codeRepository": "https://github.com/CogDisResLab/KRSA", "issueTracker": "https://github.com/CogDisResLab/KRSA/issues", "license": "https://spdx.org/licenses/MIT", - "version": "1.99.6", + "version": "1.99.7", "programmingLanguage": { "@type": "ComputerLanguage", "name": "R", From 07955c738fae4e92aa6de77c79f98fd0ba4d89e6 Mon Sep 17 00:00:00 2001 From: Ali Sajid Imami <395482+AliSajid@users.noreply.github.com> Date: Sun, 23 Jun 2024 23:45:01 -0400 Subject: [PATCH 11/12] ci: install missing packages Signed-off-by: Ali Sajid Imami <395482+AliSajid@users.noreply.github.com> --- .github/workflows/rworkflows.yml | 2 ++ 1 file changed, 2 insertions(+) diff --git a/.github/workflows/rworkflows.yml b/.github/workflows/rworkflows.yml index 590421e..f8f8dc6 100644 --- a/.github/workflows/rworkflows.yml +++ b/.github/workflows/rworkflows.yml @@ -36,6 +36,8 @@ jobs: bioc: release r: auto steps: + - run: apt-get update && apt-get install -y rsync qpdf + if: runner.os == 'Linux' - uses: neurogenomics/rworkflows@master with: run_bioccheck: ${{ false }} From fbd15a62c91a5b8817463f0edc97c7fa00a52ee4 Mon Sep 17 00:00:00 2001 From: Ali Sajid Imami <395482+AliSajid@users.noreply.github.com> Date: Sun, 23 Jun 2024 23:45:01 -0400 Subject: [PATCH 12/12] =?UTF-8?q?Bump=20version:=201.99.7=20=E2=86=92=201.?= =?UTF-8?q?99.8?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- .bumpversion.cfg | 2 +- DESCRIPTION | 2 +- codemeta.json | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/.bumpversion.cfg b/.bumpversion.cfg index c567d20..7b2e7f7 100644 --- a/.bumpversion.cfg +++ b/.bumpversion.cfg @@ -1,5 +1,5 @@ [bumpversion] -current_version = 1.99.7 +current_version = 1.99.8 commit = True commit_args = --no-verify tag = True diff --git a/DESCRIPTION b/DESCRIPTION index 35c1857..f91678c 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -1,6 +1,6 @@ Package: KRSA Title: KRSA: Kinome Random Sampling Analyzer -Version: 1.99.7 +Version: 1.99.8 Authors@R: c(person(c("Ali", "Sajid"), "Imami", , "Ali.Sajid.Imami@gmail.com", role = c("aut", "cre"), comment = c(ORCID = "0000-0003-3684-3539")), diff --git a/codemeta.json b/codemeta.json index 2531cec..d1db4c5 100644 --- a/codemeta.json +++ b/codemeta.json @@ -7,7 +7,7 @@ "codeRepository": "https://github.com/CogDisResLab/KRSA", "issueTracker": "https://github.com/CogDisResLab/KRSA/issues", "license": "https://spdx.org/licenses/MIT", - "version": "1.99.7", + "version": "1.99.8", "programmingLanguage": { "@type": "ComputerLanguage", "name": "R",

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