Mercurial > repos > artbio > gsc_high_dimensions_visualisation
changeset 5:569334568afa draft
"planemo upload for repository https://github.com/ARTbio/tools-artbio/tree/master/tools/gsc_high_dimension_visualization commit 1b98c85982a2a9f9df4b318f672b9b68cff66a93"
author | artbio |
---|---|
date | Mon, 02 Sep 2019 04:39:20 -0400 |
parents | 8e17c31c536a |
children | 19bef589f876 |
files | high_dim_visu.R high_dim_visu.xml test-data/hcpc.cluster_description.1.tab test-data/hcpc.cluster_description.4.tab test-data/hcpc.cluster_description.5.tab test-data/hcpc.cluster_description.tab |
diffstat | 6 files changed, 4845 insertions(+), 35 deletions(-) [+] |
line wrap: on
line diff
--- a/high_dim_visu.R Thu Jul 11 12:31:28 2019 -0400 +++ b/high_dim_visu.R Mon Sep 02 04:39:20 2019 -0400 @@ -2,7 +2,6 @@ options( show.error.messages=F, error = function () { cat( geterrmessage(), file=stderr() ); q( "no", 1, F ) } ) loc <- Sys.setlocale("LC_MESSAGES", "en_US.UTF-8") -requiredPackages = c('optparse', 'Rtsne', 'ggplot2', 'ggfortify') warnings() library(optparse) library(FactoMineR) @@ -12,6 +11,7 @@ library(ggfortify) library(RColorBrewer) library(ClusterR) +library(data.table) # Arguments option_list = list( @@ -161,9 +161,9 @@ ), make_option( "--HCPC_metric", - default = 'euclidian', + default = 'euclidean', type = 'character', - help = "Metric to be used for calculating dissimilarities between observations, available 'euclidian' or 'manhattan' [default : '%default' ]" + help = "Metric to be used for calculating dissimilarities between observations, available 'euclidean' or 'manhattan' [default : '%default' ]" ), make_option( "--HCPC_method", @@ -209,7 +209,7 @@ ), make_option( "--HCPC_kk", - default = -1, + default = Inf, type = 'numeric', help = "The maximum number of iterations for the consolidation [default :'%default']" ), @@ -220,10 +220,16 @@ help = "Output result of HCPC clustering : two column table (cell identifiers and clusters) [default :'%default']" ), make_option( - "--mutual_info", + "--HCPC_mutual_info", default = "", type = "character", help = "Output file of external validation of HCPC clustering with factor levels [default :'%default']" + ), + make_option( + "--HCPC_cluster_description", + default = "", + type = "character", + help = "Output file with variables most contributing to clustering [default :'%default']" ) ) @@ -436,7 +442,7 @@ col = factorColors$color, pch = 16, bty = 'n', xjust = 1, cex=0.7) ## Normalized Mutual Information - sink(opt$mutual_info) + sink(opt$HCPC_mutual_info) res <- external_validation( true_labels = as.numeric(contrasting_factor$factor), clusters = as.numeric(res.hcpc$data.clust$clust), @@ -448,6 +454,7 @@ legend.col(col = rev(brewer.pal(n = 11, name = "RdYlGn")), lev = cut(contrasting_factor$factor, 11, label = FALSE)) } } + ## Clusters to which individual observations belong # used ? # Clust <- data.frame(Cluster = res.hcpc$data.clust[, (nrow(data) + 1)], # Observation = rownames(res.hcpc$data.clust)) @@ -484,6 +491,31 @@ } +# Description of cluster by most contributing variables / gene expressions + +# first transform list of vectors in a list of dataframes +extract_description <- lapply(res.hcpc$desc.var$quanti, as.data.frame) +# second, transfer rownames (genes) to column in the dataframe, before rbinding +extract_description_w_genes <- Map(cbind, + extract_description, + genes= lapply(extract_description, rownames) + ) +# Then use data.table to collapse all generated dataframe, with the cluster id in first column +# using the {data.table} rbindlist function +cluster_description <- rbindlist(extract_description_w_genes, idcol = "cluster_id") +cluster_description = cluster_description[ ,c(8, 1, 2, 3,4,5,6,7)] # reorganize columns + + +# Finally, output cluster description data frame +write.table( + cluster_description, + file = opt$HCPC_cluster_description, + sep = "\t", + quote = F, + col.names = T, + row.names = F + ) + } ## Return coordinates file to user @@ -509,15 +541,4 @@ col.names = T, row.names = F ) -} - - - - - - - - - - - +}
--- a/high_dim_visu.xml Thu Jul 11 12:31:28 2019 -0400 +++ b/high_dim_visu.xml Mon Sep 02 04:39:20 2019 -0400 @@ -1,4 +1,4 @@ -<tool id="high_dimensions_visualisation" name="Generate PCA, tSNE and HCPC" version="0.9.4"> +<tool id="high_dimensions_visualisation" name="Generate PCA, tSNE and HCPC" version="0.9.5"> <description>from highly dimensional expression data</description> <requirements> <requirement type="package" version="1.6.2=r35h6115d3f_0">r-optparse</requirement> @@ -7,6 +7,7 @@ <requirement type="package" version="0.15=r351he1b5a44_0">r-rtsne</requirement> <requirement type="package" version="0.4.7=r351h6115d3f_0">r-ggfortify</requirement> <requirement type="package" version="1.1.9=r351h0357c0b_0">r-clusterr</requirement> + <!--<requirement type="package" version="1.11.6=r351hc070d10_0">r-data.table</requirement>--> </requirements> <stdio> <exit_code range="1:" level="fatal" description="Tool exception" /> @@ -53,6 +54,7 @@ --HCPC_max '$visualisation.HCPC_max' --HCPC_clusterCA '$visualisation.HCPC_clusterCA' --HCPC_kk '$visualisation.HCPC_kk' + --HCPC_cluster_description '$HCPC_cluster_description' #if $visualisation.res_clustering == "yes": --HCPC_clust '$HCPC_clust' #end if @@ -65,7 +67,7 @@ #end if #if $visualisation.visu_choice == "HCPC" and $factor_condition.factor_choice == "Yes": - --mutual_info '$mutual_info' + --HCPC_mutual_info '$HCPC_mutual_info' #end if --pdf_out '$pdf_out' @@ -134,34 +136,43 @@ <param name="HCPC_npc" value="5" type="integer" label="Number of principal components to keep" help="The number of dimensions which are kept for HCPC analysis (default=5)" /> <param name="HCPC_ncluster" value="-1" type="integer" label="Number of clusters in Hierar. Clustering" - help="nb.clust, the number of clusters to consider in the hierarchical clustering. (default : -1, let HCPC to optimize the number)" /> - <param name="HCPC_metric" type="select" label="Dissimilarity metric" help="Metric to be used for calculating dissimilarities between observations, available 'euclidian' or 'manhattan'? " > - <option value="euclidian" selected="true">euclidian</option> + help="nb.clust - an integer. If 0, the tree is cut at the level the user clicks on (not working in Galaxy). If -1, the tree is + automatically cut at the suggested level (see details). If a (positive) integer, the tree is cut with nb.cluters clusters." /> + <param name="HCPC_metric" type="select" label="Dissimilarity metric" help="Metric to be used for calculating dissimilarities between observations, can be 'euclidean' or 'manhattan' " > + <option value="euclidean" selected="true">euclidean</option> <option value="manhattan">manhattan</option> </param> - <param name="HCPC_method" type="select" label="Clustering method" help="Clustering method between 'ward', 'average', 'single', 'complete', 'weighted' " > + <param name="HCPC_method" type="select" label="Clustering method" help="character string defining the clustering method. + The four methods implemented are 'average' ([unweighted pair-]group [arithMetic] average method, aka ‘UPGMA’), + 'single' (single linkage), 'complete' (complete linkage), and 'ward' (Ward's method). + The default with this Galaxy tool is is 'ward'." > <option value="ward" selected="true">ward</option> <option value="average">average</option> <option value="single">single</option> <option value="complete">complete</option> - <option value="weighted">weighted</option> </param> - <param name="HCPC_consol" type="select" label="k-means consolidation" help="If TRUE, a k-means consolidation is performed" > + <param name="HCPC_consol" type="select" label="k-means consolidation" help="a boolean. If TRUE, a k-means consolidation is performed + (consolidation cannot be performed if kk is used and equals a number)." > <option value="TRUE" selected="true">Yes</option> <option value="FALSE">False</option> </param> <param name="HCPC_itermax" value="10" type="integer" label="Maximum number of iterations for consolidation" - help=" (default=10)" /> + help="An integer. The maximum number of iterations for the consolidation. (default=10)" /> <param name="HCPC_min" value="3" type="integer" label="min number of clusters" - help=" The least possible number of clusters suggested (default=3)" /> + help="an integer. The least possible number of clusters suggested. (default=3)" /> <param name="HCPC_max" value="-1" type="text" label="max number of clusters" - help=" The higher possible number of clusters suggested, by default the minimum between 10 and the number of individuals divided by 2. (default=-1)" /> - <param name="HCPC_clusterCA" type="select" label="clusterCA, Clustering against rows or columns" help="default(rows)" > + help="The higher possible number of clusters suggested, by default the minimum between 10 and the number of individuals divided by 2. (default=-1)" /> + <param name="HCPC_clusterCA" type="select" label="cluster.CA, Clustering against rows or columns" + help="A string equals to 'rows' or 'columns' for the clustering of Correspondence Analysis results.default(rows)"> <option value="rows" selected="true">Rows</option> <option value="cols">Columns</option> </param> - <param name="HCPC_kk" value="-1" type="text" label="kk, Number of clusters used in a Kmeans preprocessing " - help="No k-means consolidation is done if a kk value is provided (default=-1)" /> + <param name="HCPC_kk" value="Inf" type="text" label="kk, Number of clusters used in a Kmeans preprocessing " + help="An integer corresponding to the number of clusters used in a Kmeans preprocessing before the + hierarchical clustering; the top of the hierarchical tree is then constructed from this partition. + This is very useful if the number of individuals is high. Note that consolidation cannot be performed + if kk is different from Inf and some graphics are not drawn. Inf is used by default and no preprocessing + is done, all the graphical outputs are then given." /> <param label="Return HCPC clustering table" name="res_clustering" type="select"> <option value="no" selected="True">No</option> <option value="yes">Yes</option> @@ -184,14 +195,18 @@ <data name="table_coordinates" format="tabular" label="Scatter plot coordinates from ${visualisation.visu_choice} of ${on_string}" > <filter>coord == 'yes'</filter> </data> - <data name="mutual_info" format="txt" label="External validation of clustering from ${visualisation.visu_choice} of ${on_string}" > + <data name="HCPC_mutual_info" format="txt" label="External validation of clustering from ${visualisation.visu_choice} of ${on_string}" > <filter>visualisation['visu_choice'] == 'HCPC' and factor_condition['factor_choice'] == 'Yes'</filter> </data> <data name="HCPC_clust" format="tabular" label="Clustering table from ${visualisation.visu_choice} of ${on_string}" > <filter>visualisation['visu_choice'] == 'HCPC' and visualisation['res_clustering'] == 'yes'</filter> </data> + <data name="HCPC_cluster_description" format="tabular" label="Cluster information from ${visualisation.visu_choice}" > + <filter>visualisation['visu_choice'] == 'HCPC' </filter> + </data> </outputs> <tests> + <!-- test first (for developpers) --> <!-- test PCA --> <test> <param name="input" value="cpm_input.tsv" ftype="txt"/> @@ -271,6 +286,7 @@ <param name="HCPC_npc" value="5"/> <param name="HCPC_ncluster" value="-1"/> <output name="pdf_out" file="hcpc.labels.pdf" compare="sim_size" ftype="pdf"/> + <output name="HCPC_cluster_description" file="hcpc.cluster_description.1.tab" ftype="tabular"/> </test> <!-- test factor contrasting on HCPC --> <test> @@ -283,8 +299,9 @@ <param name="factor_choice" value="Yes" /> <param name="factor" value="factor.tsv" ftype="txt"/> <output name="pdf_out" file="hcpc.nolabels.factor.pdf" compare="sim_size" ftype="pdf"/> - <output name="mutual_info" file="hcpc.factor.extval.txt" ftype="txt"/> + <output name="HCPC_mutual_info" file="hcpc.factor.extval.txt" ftype="txt"/> <output name="HCPC_clust" file="hcpc.clusters.tab" ftype="tabular"/> + <output name="HCPC_cluster_description" file="hcpc.cluster_description.1.tab" ftype="tabular"/> </test> <test> <param name="input" value="cpm_input.tsv" ftype="txt"/> @@ -293,6 +310,7 @@ <param name="HCPC_ncluster" value="-1"/> <param name="visu_choice" value="HCPC" /> <output name="pdf_out" file="hcpc.nolabels.pdf" compare="sim_size" ftype="pdf"/> + <output name="HCPC_cluster_description" file="hcpc.cluster_description.1.tab" ftype="tabular"/> </test> <test> <param name="input" value="cpm_input.tsv" ftype="txt"/> @@ -304,6 +322,7 @@ <param name="HCPC_npc" value="4" /> <output name="pdf_out" file="hcpc-2.labels.pdf" ftype="pdf"/> <output name="table_coordinates" file="hcpc-2.coord.tab" ftype="tabular"/> + <output name="HCPC_cluster_description" file="hcpc.cluster_description.4.tab" ftype="tabular"/> </test> <test> <param name="input" value="cpm_input.tsv" ftype="txt"/> @@ -311,11 +330,12 @@ <param name="visu_choice" value="HCPC" /> <param name="coord" value="yes" /> <param name="HCPC_method" value="single"/> - <param name="HCPC_metric" value="euclidian"/> + <param name="HCPC_metric" value="euclidean"/> <param name="HCPC_npc" value="4" /> <param name="HCPC_clusterCA" value="cols" /> <output name="pdf_out" file="hcpc-3.labels.pdf" compare="sim_size" ftype="pdf"/> <output name="table_coordinates" file="hcpc-3.coord.tab" ftype="tabular"/> + <output name="HCPC_cluster_description" file="hcpc.cluster_description.5.tab" ftype="tabular"/> </test> <!-- test t-SNE --> <test>
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/hcpc.cluster_description.1.tab Mon Sep 02 04:39:20 2019 -0400 @@ -0,0 +1,1180 @@ +genes cluster_id v.test Mean in category Overall mean sd in category Overall sd p.value +TUSC3 1 11.8890897711964 2.02149769035256 0.820349274023337 3.81496317321131 2.61166315266037 1.34868362907211e-32 +USMG5 1 8.61018275981449 5.36922025791415 4.36307228245837 3.30870030072204 3.02077642160404 7.29441907532539e-18 +TM4SF1 1 6.8501233340706 2.60299136171499 1.64679530949995 4.48210676849274 3.60842472917828 7.37863458923549e-12 +WASF3 1 3.81082062029984 2.72810637690025 2.23304493116436 3.8140236890506 3.35822425701289 0.000138506246351441 +RPS29 1 3.69248178150784 4.44076026507806 4.10483867741957 2.71626848553352 2.35173643708298 0.000222076254209972 +ATP6V0C 1 2.85728617185022 4.1147659118381 3.86757641424506 2.68387039140677 2.23637881955919 0.00427280416431219 +RPS6 1 2.28645686432482 8.05369460415472 7.77324497980439 3.51400575835216 3.1707422903076 0.0222275449023515 +ADD3 1 -2.03898945313383 2.67200952180054 2.97075160954821 3.99658342916655 3.78748156266524 0.04145108017794 +ZNF620 1 -2.09339320365175 0.269607305499926 0.403867056232137 1.45402896093331 1.65792210375095 0.0363140686205794 +AGMO 1 -2.16542265853872 0.550187878554447 0.736036212379138 2.0807096254801 2.21863106726791 0.030355332385656 +ZNF815 1 -2.33839574702057 0.133962973147947 0.246326932456439 1.01648773391031 1.24216164846543 0.0193667281609244 +SNORD116-26 1 -2.40369126298929 0.326022774081065 0.462953397156306 1.3861980093835 1.4726210173554 0.0162304741865377 +ELP4 1 -2.40849812960999 0.974148047514188 1.23114458089402 2.6360911416134 2.75835428689567 0.0160183083673185 +APBB2 1 -2.41667816437009 1.24105212802172 1.52250967335125 2.87073537301846 3.01067012234566 0.0156628589394647 +RYK 1 -2.47171547161999 0.824118979184263 1.06171807888193 2.36953231938935 2.48493715467498 0.0134466490391557 +PRADC1 1 -2.48046576244539 1.14207696618551 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+ATP1A3 1 -2.73870881202368 0.162426144112341 0.289113068628839 0.90568885226386 1.19579030792616 0.00616809771090977 +CDYL 1 -2.74950588213968 0.948755812856688 1.21874162823553 2.48898715444354 2.53837270703711 0.00596851916139442 +C11orf95 1 -2.75271584151799 0.201272678652178 0.36670211607124 1.26561795452585 1.55353308134087 0.00591031717167873 +LRRC37B 1 -2.75645408913395 0.430147445567389 0.639731413421163 1.78964084524244 1.96551512360064 0.00584318149839236 +ARID3B 1 -2.77139122842724 0.13567672674334 0.281948740024639 1.03648156492496 1.36437105082851 0.00558173175028376 +STX2 1 -2.83088173246747 1.11241017928898 1.41308526331391 2.70073561840279 2.74564769283462 0.00464198818823589 +CCDC163P 1 -2.8340985159593 0.307788589687561 0.509243236341225 1.53259005866322 1.83751732036673 0.00459551624555987 +RPS18 1 -2.902994689542 8.38921855977543 8.64191423816786 2.877729925673 2.25019765786645 0.00369612904490891 +MASP2 1 -2.92108579293095 0.257935169716606 0.412019090856802 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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/hcpc.cluster_description.4.tab Mon Sep 02 04:39:20 2019 -0400 @@ -0,0 +1,1231 @@ +genes cluster_id v.test Mean in category Overall mean sd in category Overall sd p.value +TUSC3 1 9.64226245491482 1.58846421413198 0.820349274023337 3.47195156241725 2.61166315266037 5.30066060421869e-22 +USMG5 1 5.75087525581821 4.89295851056519 4.36307228245837 3.37773714868832 3.02077642160404 8.87826071601112e-09 +TM4SF1 1 4.30513402655702 2.12063826557369 1.64679530949995 4.15092195695276 3.60842472917828 1.66884668352345e-05 +WASF3 1 2.3686373498309 2.47567150728554 2.23304493116436 3.69290575886789 3.35822425701289 0.0178537498791563 +RPS6 1 -2.02142946490481 7.57774368453375 7.77324497980439 3.69929873265015 3.1707422903076 0.0432353271268453 +STOX2 1 -2.03230776521167 0.456131537141282 0.575761068032365 1.83974078909003 1.92982896728664 0.0421225088463805 +ZNF815 1 -2.05822775838923 0.168343625205738 0.246326932456439 1.13094339680922 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2.27141963717322e-11 +TUSC3 3 -7.69762398316331 0 0.820349274023337 0 2.61166315266037 1.38619567506484e-14 +TM4SF1 3 -8.01222518697363 0.467029676227031 1.64679530949995 1.86648693610858 3.60842472917828 1.12651355511703e-15
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/hcpc.cluster_description.5.tab Mon Sep 02 04:39:20 2019 -0400 @@ -0,0 +1,1178 @@ +genes cluster_id v.test Mean in category Overall mean sd in category Overall sd p.value +TUSC3 1 11.9142858023152 2.02648904267441 0.820349274023337 3.81834581414514 2.61166315266037 9.97169617739689e-33 +USMG5 1 8.39755631476141 5.34636759612311 4.36307228245837 3.3204661574193 3.02077642160404 4.55865936650362e-17 +TM4SF1 1 6.88218287090609 2.60941850087972 1.64679530949995 4.48576784413717 3.60842472917828 5.89422778470414e-12 +WASF3 1 3.78804329877795 2.7261473017572 2.23304493116436 3.81852542872013 3.35822425701289 0.00015183839224081 +RPS29 1 3.36197375608184 4.41131394198962 4.10483867741957 2.7351913375762 2.35173643708298 0.000773874782658214 +ATP6V0C 1 2.64343334249021 4.09672975637321 3.86757641424506 2.6906858747661 2.23637881955919 0.00820699234409541 +RPS6 1 1.9777744504986 8.01632550667148 7.77324497980439 3.52255161003573 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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/hcpc.cluster_description.tab Mon Sep 02 04:39:20 2019 -0400 @@ -0,0 +1,1180 @@ +genes cluster_id v.test Mean in category Overall mean sd in category Overall sd p.value +TUSC3 1 11.8890897711964 2.02149769035256 0.820349274023337 3.81496317321131 2.61166315266037 1.34868362907211e-32 +USMG5 1 8.61018275981449 5.36922025791415 4.36307228245837 3.30870030072204 3.02077642160404 7.29441907532539e-18 +TM4SF1 1 6.8501233340706 2.60299136171499 1.64679530949995 4.48210676849274 3.60842472917828 7.37863458923549e-12 +WASF3 1 3.81082062029984 2.72810637690025 2.23304493116436 3.8140236890506 3.35822425701289 0.000138506246351441 +RPS29 1 3.69248178150784 4.44076026507806 4.10483867741957 2.71626848553352 2.35173643708298 0.000222076254209972 +ATP6V0C 1 2.85728617185022 4.1147659118381 3.86757641424506 2.68387039140677 2.23637881955919 0.00427280416431219 +RPS6 1 2.28645686432482 8.05369460415472 7.77324497980439 3.51400575835216 3.1707422903076 0.0222275449023515 +ADD3 1 -2.03898945313383 2.67200952180054 2.97075160954821 3.99658342916655 3.78748156266524 0.04145108017794 +ZNF620 1 -2.09339320365175 0.269607305499926 0.403867056232137 1.45402896093331 1.65792210375095 0.0363140686205794 +AGMO 1 -2.16542265853872 0.550187878554447 0.736036212379138 2.0807096254801 2.21863106726791 0.030355332385656 +ZNF815 1 -2.33839574702057 0.133962973147947 0.246326932456439 1.01648773391031 1.24216164846543 0.0193667281609244 +SNORD116-26 1 -2.40369126298929 0.326022774081065 0.462953397156306 1.3861980093835 1.4726210173554 0.0162304741865377 +ELP4 1 -2.40849812960999 0.974148047514188 1.23114458089402 2.6360911416134 2.75835428689567 0.0160183083673185 +APBB2 1 -2.41667816437009 1.24105212802172 1.52250967335125 2.87073537301846 3.01067012234566 0.0156628589394647 +RYK 1 -2.47171547161999 0.824118979184263 1.06171807888193 2.36953231938935 2.48493715467498 0.0134466490391557 +PRADC1 1 -2.48046576244539 1.14207696618551 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