changeset 0:6eae14751768 draft

planemo upload for repository https://github.com/phac-nml/mykrobe-parser commit 0b64469b5d819a9c5b9ea85d07ccbc3b5fb6b25e-dirty
author nml
date Fri, 28 Sep 2018 16:01:47 -0400
parents
children 05ca0dbc9f46
files mykrobe_parser.R mykrobe_parser.xml test-data/output-jsondata.csv test-data/output-report.csv test-data/test-data.json
diffstat 5 files changed, 111658 insertions(+), 0 deletions(-) [+]
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/mykrobe_parser.R	Fri Sep 28 16:01:47 2018 -0400
@@ -0,0 +1,375 @@
+# Copyright Government of Canada 2018
+# 
+# Written by: National Microbiology Laboratory, Public Health Agency of Canada
+# 
+# Licensed under the Apache License, Version 2.0 (the "License"); you may not use
+# this work except in compliance with the License. You may obtain a copy of the
+# License at:
+#   
+#   http://www.apache.org/licenses/LICENSE-2.0
+# 
+# Unless required by applicable law or agreed to in writing, software distributed
+# under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR
+# CONDITIONS OF ANY KIND, either express or implied. See the License for the
+# specific language governing permissions and limitations under the License.
+
+
+# Parsing JSONs from Mykrobe Predict into CSV reports
+# Take the JSON output from Mykrobe, rearrange, output for LIMS
+# Adrian Zetner
+# August 2018
+
+# Libraries ####
+library(jsonlite, quietly = T)
+library(here, quietly = T)
+suppressMessages(library(dplyr, quietly = T))
+suppressMessages(library(purrr, quietly = T))
+library(tidyr, quietly = T)
+library(stringr, quietly = T)
+library(optparse, quietly = T)
+
+# Define custom functions, variables, and paths. Collect and use CL arguments ####
+
+# Here's a function to recreate that output table from the input JSON files
+
+getResults <- function(listelement){
+  # Define list levels for various elements of the json
+  species <- names(listelement[[1]][["phylogenetics"]][["species"]]) 
+  lineage <- names(listelement[[1]][["phylogenetics"]][["lineage"]])
+  phylo_group <- names(listelement[[1]][["phylogenetics"]][["phylo_group"]])
+  if("Non_tuberculosis_mycobacterium_complex" %in% phylo_group){
+    warning(paste("Non-tuberculosis mycobacteria detected in file ", names(listelement), ". Skipping.", sep = ""))
+    return()}
+    
+  # Start building a list of all your various elements
+  temp <- list(mykrobe_version = listelement[[1]][["version"]][["mykrobe-predictor"]],
+               file = names(listelement), # One element
+               plate_name = "test", # This probably needs changing
+               sample = "sequence_calls", # Likewise change this
+               phylo_group = phylo_group, # As above
+               species = species, # As above
+               lineage = lineage, # As above
+               # The following expressions drill down into the list elements and pull out what is needed. 
+               # It's inelegant and vulnerable to changes in the input formats but if they're consistent it'll work
+               phylo_group_per_covg = listelement[[1]][["phylogenetics"]][["phylo_group"]][[phylo_group]][["percent_coverage"]],
+               species_per_covg = listelement[[1]][["phylogenetics"]][["species"]][[species]][["percent_coverage"]],
+               lineage_per_covg = listelement[[1]][["phylogenetics"]][["lineage"]][[lineage]][["percent_coverage"]],
+               phylo_group_depth = listelement[[1]][["phylogenetics"]][["phylo_group"]][[phylo_group]][["median_depth"]],
+               species_depth = listelement[[1]][["phylogenetics"]][["species"]][[species]][["median_depth"]],
+               lineage_depth = listelement[[1]][["phylogenetics"]][["lineage"]][[lineage]][["median_depth"]],
+               Mykrobe_Resistance_probe_set = basename(listelement[[1]][["probe_sets"]][2]) # Is it always the second?
+  )
+  
+  # Super cool nested and vectorized (for SPEED!) functions to grab the predictions for drug sensitivity and gene variants
+  # Both produce character vectors of the same length as the number of drugs tested in the same order
+  # All of these also check if there are missing values in drug/susceptibility/variant elements and adds the column anyhow
+  
+  if(length(map_chr(listelement[[1]][["susceptibility"]],  "predict")) != 0){
+    temp$susceptibility <- map_chr(listelement[[1]][["susceptibility"]],  "predict")  
+  }else{
+    temp$susceptibility <- NA
+  }
+  
+  if(length(names(listelement[[1]][["susceptibility"]])) != 0){
+    temp$drug <- names(listelement[[1]][["susceptibility"]])  
+  }else{
+    temp$drug <- NA
+  }
+  
+  mapped.variants <- map(listelement[[1]][["susceptibility"]], # Dig into the lists, pull out variants and collapse into chr vector
+                       ~ imap(.x[["called_by"]],  # imap is shorthand for map2(x, names(x), ...), calling .y gets you the name / index of the current element
+                              ~ paste(.y, 
+                                      .x[["info"]][["coverage"]][["alternate"]][["median_depth"]],
+                                      .x[["info"]][["coverage"]][["reference"]][["median_depth"]],
+                                      .x[["info"]][["conf"]],
+                                      sep = ":"))) %>% 
+    map_chr(~ paste(.x, collapse = "__"))
+  
+  if(length(mapped.variants) != 0){
+    temp$`variants (gene:alt_depth:wt_depth:conf)` <- mapped.variants
+  }else{
+    temp$`variants (gene:alt_depth:wt_depth:conf)` <- NA
+  }
+  
+  temp$`genes (prot_mut-ref_mut:percent_covg:depth)` <- NA 
+  
+  # Take that list and mash all the elements together as columns in a tibble, recycling as needed to fill in space
+  # eg. phylo_group is repeated/recycled as many times as there are drugs tested
+  as_tibble(temp)
+}
+
+sink(stdout(), type = "message")
+
+suppressPackageStartupMessages({
+  library(jsonlite)
+  library(here)
+  library(dplyr)
+  library(purrr)
+  library(tidyr)
+  library(stringr)
+  library(optparse)
+})
+
+# Get command line arguments with optparse
+option_list = list(
+  make_option(c("-f", "--file"), 
+              type="character", 
+              default=NULL, 
+              help='dataset file name or quoted comma separated names: eg. "file1,file2,file3"', 
+              metavar="character"),
+  make_option(c("-d", "--dir"), 
+              type="character", 
+              default=NULL, 
+              help="directory location of json files", 
+              metavar="character"),
+  make_option(c("-v", "--version"), 
+              type="character", 
+              default="", 
+              help="Mykrobe Workflow Version", 
+              metavar="character"),
+  make_option(c("-D", "--depth"), 
+              type="integer", 
+              default=5, 
+              help="Minimum depth of coverage [default= %default]", 
+              metavar="integer"),
+  make_option(c("-c", "--conf"), 
+              type="integer", 
+              default=10, 
+              help="Minimum genotype confidence for variant genotyping [default= %default]", 
+              metavar="integer"),
+  make_option(c("-n", "--name"), 
+              type="character", 
+              default="", 
+              help="Name of the run", 
+              metavar="character")
+)
+
+opt_parser = OptionParser(option_list=option_list)
+opt = parse_args(opt_parser)
+
+if (is.null(opt$file) & is.null(opt$dir)){
+  print_help(opt_parser)
+  stop("At least one argument must be supplied to input file or directory", call.=FALSE)
+}
+
+# Parameters to take from Galaxy/CL as args or however works best
+params <- c("",  # Lims_Comment 
+            "",  # Lims_INTComment 
+            opt$version,  # Mykrobe_Workflow_Version
+            opt$depth,  # Mykrobe_min_depth_default_5
+            opt$conf,  # Mykrobe_min_conf_default_10
+            "",                             # LIMS_file - empty as it's an upload field in LIMS
+            opt$name)  # LIMS_filename
+
+names(params) <- c("Lims_Comment", 
+                   "Lims_INTComment",
+                   "Mykrobe_Workflow_Version",
+                   "Mykrobe_min_depth_default_5",
+                   "Mykrobe_min_conf_default_10", 
+                   "LIMS_file", 
+                   "LIMS_filename")
+
+
+# A default report in the order our LIMS requires
+
+# Make a default dataframe to combine the rest into and enforce column order / fill missing ones with NAs
+columns <- c("file",
+             "Mykrobe_fabG1",
+             "Mykrobe_katG",
+             "Mykrobe_ahpC",
+             "Mykrobe_inhA",
+             "Mykrobe_ndh",
+             "Isoniazid_R_mutations",
+             "Isoniazid_Prediction",
+             "Mykrobe_rpoB",
+             "Rifampicin_R_mutations",
+             "Rifampicin_Prediction",
+             "Mykrobe_embB",
+             "Mykrobe_embA",
+             "Ethambutol_R_mutations",
+             "Ethambutol_Prediction",
+             "Mykrobe_pncA",
+             "Mykrobe_rpsA",
+             "Pyrazinamide_R_mutations",
+             "Pyrazinamide_Prediction",
+             "Mykrobe_gyrA",
+             "Quinolones_R_mutations",
+             "Quinolones_Prediction",
+             "Mykrobe_rpsL",
+             "Mykrobe_Streptomycin_rrs",
+             "Mykrobe_Streptomycin_gid",
+             "Streptomycin_R_mutations",
+             "Streptomycin_Prediction",
+             "Mykrobe_Amikacin_rrs",
+             "Amikacin_R_mutations",
+             "Amikacin_Prediction",
+             "Mykrobe_Capreomycin_rrs",
+             "Mykrobe_Capreomycin_tlyA",
+             "Capreomycin_R_mutations",
+             "Capreomycin_Prediction",
+             "Mykrobe_Kanamycin_rrs",
+             "Mykrobe_Kanamycin_eis",
+             "Kanamycin_R_mutations",
+             "Kanamycin_Prediction",
+             "Lims_Comment",
+             "Lims_INTComment",
+             "Mykrobe_Workflow_Version",
+             "mykrobe_version",
+             "Mykrobe_Resistance_probe_set",
+             "Mykrobe_min_depth_default_5",
+             "Mykrobe_min_conf_default_10",
+             "LIMS_file",
+             "LIMS_filename")
+
+report <- setNames(data.frame(matrix("", ncol = length(columns), nrow = 1), stringsAsFactors = F), columns)
+
+
+# List of drugs that are tested
+all_drugs <- c("Isoniazid", 
+               "Rifampicin", 
+               "Ethambutol", 
+               "Pyrazinamide", 
+               "Moxifloxacin_Ofloxacin", 
+               "Streptomycin",
+               "Amikacin",
+               "Capreomycin",
+               "Kanamycin")
+
+# Do Stuff ####
+
+# Import all the JSON files into a list of lists format ####
+
+if (is.null(opt$file)){
+  # opt$dir is used to get the list of files, a vector of non-duplicated files is then passed to map
+  files <- list.files(path = opt$dir, 
+                      pattern = "*.json",
+                      full.names = T)
+}else{
+  files <- unlist(strsplit(opt$file, ","))
+}
+
+files <- files[!duplicated(basename(files))]
+
+list.of.json.files <- map(files, 
+                          ~ fromJSON(.x, simplifyDataFrame = F)
+)
+
+
+# Apply that getResults function to each element in your list then bash it together into a final report
+
+temp <- map(list.of.json.files, getResults) %>% 
+  bind_rows()
+
+
+# Predictions of resistance or susceptibility
+predictions.table <- 
+  temp %>%
+  select(file, drug, susceptibility) %>% 
+  mutate(drug = paste(drug, "_Prediction", sep = "")) %>% 
+  spread(drug, susceptibility, fill = "failed") %>% 
+  select(-starts_with("NA"))
+
+if (length(predictions.table) == 1){
+  print(predictions.table)
+  stop("No susceptibility results in files specified. Did the testing fail?", call.=FALSE)
+}
+
+# Variants
+# Multiple resistance mutations and confidence per drug in the X_R_mutations column
+# Actual protein changes in Mykrobe_X columns
+
+variants.temp <- 
+  temp %>% 
+  select(file, drug, variants = `variants (gene:alt_depth:wt_depth:conf)`) %>% 
+  mutate(variants = replace(variants, variants == "", NA)) %>% # Make missing data consistent...
+  filter(!is.na(variants)) %>% # ...Then get rid of it
+  mutate(tempcols = paste(drug, "R_mutations", sep = "_")) %>% 
+  mutate(R_mutations = variants) %>% 
+  mutate(variants = strsplit(variants, "__")) %>% # Split the mutations across rows (list first then split across rows)
+  unnest(variants) %>% 
+  separate(variants, c("gene", "mutation"), "_") %>% 
+  mutate(columnname = ifelse(gene %in% c("tlyA", "rrs", "gid"), # Check for columns that include the drug name or not and paste accordingly
+                             paste("Mykrobe", drug, gene, sep = "_"),
+                             paste("Mykrobe", gene, sep = "_"))) %>% 
+  # Extract out the mutation information with a regex that covers all potential genes
+  # This regex looks for whatever is ahead of the first colon and after the last hyphen
+  mutate(mutation = str_match(mutation, "(.*)-.*:")[,2]) %>%
+  select(file, tempcols, R_mutations, columnname, mutation)
+
+# Split each kind of variants into its own temp table then merge
+variants.1 <- 
+  variants.temp %>% 
+  select(file, tempcols, R_mutations) %>% 
+  distinct() %>% 
+  spread(tempcols, R_mutations)
+
+variants.2 <- 
+  variants.temp %>% 
+  select(file, columnname, mutation) %>% 
+  group_by(file, columnname) %>% 
+  summarise(mutation = paste(mutation, collapse = ";")) %>% 
+  spread(columnname, mutation)
+
+variants.table <- full_join(variants.1, variants.2, by = "file")
+
+# Make a report ####
+
+report <- 
+  temp %>% 
+  select(file, mykrobe_version, Mykrobe_Resistance_probe_set) %>% # Get important info from initial table
+  distinct() %>% # Drop duped rows and combine all the tables together
+  full_join(variants.table) %>% 
+  full_join(predictions.table) %>% 
+  bind_rows(report) %>% # Use bind_rows to add columns (eg. unteseted drugs) to the final output 
+  filter(file != "")
+
+# Only add the 'no mutation' replacement to the columns that actually have a result
+report <- 
+  report %>%
+  filter_at(vars(ends_with("_Prediction")), any_vars(. != "failed")) %>% 
+  mutate_at(vars(starts_with("Mykrobe_")), funs(replace(., is.na(.), "No Mutation"))) %>% 
+  full_join(anti_join(report, ., by = "file")) %>% 
+  select(columns) %>% 
+  rename(Moxifloxacin_Ofloxacin_R_mutations = Quinolones_R_mutations,
+         Moxifloxacin_Ofloxacin_Prediction = Quinolones_Prediction)
+  
+
+# Add in the parameters fed from Galaxy using named character vector
+report <- 
+  report %>% 
+  mutate(
+    Lims_Comment = params["Lims_Comment"],
+    Lims_INTComment = params["Lims_INTComment"],
+    Mykrobe_Workflow_Version = params["Mykrobe_Workflow_Version"],
+    Mykrobe_min_depth_default_5 = params["Mykrobe_min_depth_default_5"],
+    Mykrobe_min_conf_default_10 = params["Mykrobe_min_conf_default_10"],
+    LIMS_file = params["LIMS_file"],
+    LIMS_filename = params["LIMS_filename"]
+  )
+  
+
+#View(report)
+
+# Write some output
+# Report as is
+write.csv(report, "output-report.csv", row.names = F)
+print("Writing Susceptibility report to CSV as output-report.csv")
+
+# Select specific columns from temp and output them
+temp %>% 
+  select(file, 
+         phylo_group, 
+         species, 
+         lineage, 
+         phylo_group_per_covg, 
+         species_per_covg, 
+         lineage_per_covg, 
+         phylo_group_depth, 
+         species_depth, 
+         lineage_depth) %>%
+  distinct() %>%
+  write.csv("output-jsondata.csv", row.names = F)
+print("Writing JSON data to CSV as output-jsondata.txt")
+sink(NULL, type="message") # close the sink
+
+quit()
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/mykrobe_parser.xml	Fri Sep 28 16:01:47 2018 -0400
@@ -0,0 +1,136 @@
+<tool id="mykrobe_parseR" name="mykrobe_parseR" version="0.1.0">
+    <requirements>
+        <requirement type="package" version="3.4.1">r-base</requirement>
+        <requirement type="package" version="1.5.0">r-jsonlite</requirement>
+        <requirement type="package" version="0.1.0">r-here</requirement>
+        <requirement type="package" version="0.7.6">r-dplyr</requirement>
+        <requirement type="package" version="0.2.5">r-purrr</requirement>
+        <requirement type="package" version="0.8.1">r-tidyr</requirement>
+        <requirement type="package" version="1.6.0">r-optparse</requirement>
+	<requirement type="package" version="1.3.0">r-stringr</requirement>
+    </requirements>
+    <command detect_errors="exit_code"><![CDATA[
+        
+        #if $input.type == 'collection'
+            mkdir collection_files &&
+            #for $file in $input.collection
+                cp "$file" collection_files/"$file.name".json &&
+            #end for
+        #end if
+
+        Rscript "$__tool_directory__/mykrobe_parser.R"
+
+        #if $input.type =='single'
+            -f "$input.single"
+        #else
+            -d "collection_files"
+        #end if
+
+        #if $version
+            -v "$version"
+        #end if
+        #if $depth
+            -D "$depth"
+        #end if
+        #if $confidence
+            -c "$confidence"
+        #end if
+        #if $run_name
+            -n "$run_name"
+        #end if
+
+    ]]></command>
+    <inputs>
+    <conditional name="input">
+      <param name="type" type="select" label="Sequence Data Type">
+        <option value="single">Single JSON File</option>
+        <option value="collection">Collection of JSON Files</option>
+      </param>
+      <when value="single">
+        <param name="single"
+          type="data" format="json,txt"
+          optional="false"
+          label="Single JSON File (.JSON or .TXT)"
+          />
+      </when>
+      <when value="collection">
+        <param name="collection"
+          type="data_collection" format="json,txt"
+          optional="false"
+          label="Collection of JSON Files (.JSON or .TXT)"
+          />
+      </when>
+    </conditional>
+    <param name="version" type="text"
+        argument="-v"
+        optional="true"
+        label="Mykrobe Workflow Version"/>
+    <param name="depth" type="integer"
+        argument="-D"
+        optional="true"
+        label="Minimum depth of coverage"
+        help="Enter integer values only. Default is 5"/>
+    <param name="confidence" type="integer"
+        argument="-c"
+        optional="true"
+        label="Confidence"
+        help="Minimum genotype confidence for variant genotyping. Enter integer values only. Default is 10"/>
+    <param name="run_name" type="text"
+        argument="-n"
+        optional="true"
+        label="Name of Run"/>
+    </inputs>
+    <outputs>
+        <data name="output-jsondata" from_work_dir="output-jsondata.csv" format="csv" label="jsondata"/>
+        <data name="output-report" from_work_dir="output-report.csv" format="csv" label="report"/>
+    </outputs>
+    <tests>
+        <test>
+            <param name="type" value="single"/>
+            <param name="single" ftype="json" value="test-data.json"/>
+            <output name="output-jsondata" ftype="csv" value="output-jsondata.csv" compare="sim_size"/>
+            <output name="output-report" ftype="csv" value="output-report.csv" compare="sim_size"/>
+        </test>
+    </tests>
+    <help><![CDATA[
+==============
+Mykrobe Parser
+==============
+
+R Script to parse the results of mykrobe predictor and present them in a LIMS compatible format.
+
+=====
+Legal 
+=====
+
+Copyright Government of Canada 2018
+
+Written by: National Microbiology Laboratory, Public Health Agency of Canada
+
+Licensed under the Apache License, Version 2.0 (the "License"); you may not use
+this work except in compliance with the License. You may obtain a copy of the
+License at:
+
+http://www.apache.org/licenses/LICENSE-2.0
+
+Unless required by applicable law or agreed to in writing, software distributed
+under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR
+CONDITIONS OF ANY KIND, either express or implied. See the License for the
+specific language governing permissions and limitations under the License.
+
+=======
+Contact
+=======
+
+**Gary van Domselaar**: gary.vandomselaar@canada.ca
+
+    ]]></help>
+    <citations>
+        <citation type="bibtex">@ARTICLE{a1,
+            title = {R Script to parse the results of mykrobe predictor and present them in a LIMS compatible format.},
+            author = {Adrian Zetner},
+            url = {https://github.com/phac-nml/mykrobe-parser}
+            }
+        }</citation>
+    </citations>
+</tool>
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/output-jsondata.csv	Fri Sep 28 16:01:47 2018 -0400
@@ -0,0 +1,2 @@
+"file","phylo_group","species","lineage","phylo_group_per_covg","species_per_covg","lineage_per_covg","phylo_group_depth","species_depth","lineage_depth"
+"sample","Mycobacterium_tuberculosis_complex","Mycobacterium_tuberculosis","Beijing_East_Asia",99.636,97.727,100,17,14,16
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/output-report.csv	Fri Sep 28 16:01:47 2018 -0400
@@ -0,0 +1,2 @@
+"file","Mykrobe_fabG1","Mykrobe_katG","Mykrobe_ahpC","Mykrobe_inhA","Mykrobe_ndh","Isoniazid_R_mutations","Isoniazid_Prediction","Mykrobe_rpoB","Rifampicin_R_mutations","Rifampicin_Prediction","Mykrobe_embB","Mykrobe_embA","Ethambutol_R_mutations","Ethambutol_Prediction","Mykrobe_pncA","Mykrobe_rpsA","Pyrazinamide_R_mutations","Pyrazinamide_Prediction","Mykrobe_gyrA","Moxifloxacin_Ofloxacin_R_mutations","Moxifloxacin_Ofloxacin_Prediction","Mykrobe_rpsL","Mykrobe_Streptomycin_rrs","Mykrobe_Streptomycin_gid","Streptomycin_R_mutations","Streptomycin_Prediction","Mykrobe_Amikacin_rrs","Amikacin_R_mutations","Amikacin_Prediction","Mykrobe_Capreomycin_rrs","Mykrobe_Capreomycin_tlyA","Capreomycin_R_mutations","Capreomycin_Prediction","Mykrobe_Kanamycin_rrs","Mykrobe_Kanamycin_eis","Kanamycin_R_mutations","Kanamycin_Prediction","Lims_Comment","Lims_INTComment","Mykrobe_Workflow_Version","mykrobe_version","Mykrobe_Resistance_probe_set","Mykrobe_min_depth_default_5","Mykrobe_min_conf_default_10","LIMS_file","LIMS_filename"
+"sample","No Mutation","S315N","No Mutation","No Mutation","No Mutation","katG_S315N-S315N:15:0:99999996","R","S450L","rpoB_S450L-S450L:14:0:99999996","R","No Mutation","No Mutation",NA,"S","Q141P","No Mutation","pncA_Q141P-Q141P:14:0:99999996","R","No Mutation",NA,"S","K43R","No Mutation","No Mutation","rpsL_K43R-K43R:24:0:99999995","R","A1401G","rrs_A1401G-A1401G:17:0:99999996","R","A1401G","No Mutation","rrs_A1401G-A1401G:17:0:99999996","R","A1401G","No Mutation","rrs_A1401G-A1401G:17:0:99999996","R","","","","v0.5.6-0-gbd7923a-dirty","tb-walker-probe-set-feb-09-2017.fasta.gz","5","10","",""
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/test-data.json	Fri Sep 28 16:01:47 2018 -0400
@@ -0,0 +1,111143 @@
+{
+    "sample": {
+        "probe_sets": [
+            "/Drives/P/Galaxies/main_nml/galaxy-common/deps/_conda/envs/__mykrobe@0.5.6/lib/python3.5/site-packages/mykrobe/data/panels/tb-species-170421.fasta.gz",
+            "/Drives/P/Galaxies/main_nml/galaxy-common/deps/_conda/envs/__mykrobe@0.5.6/lib/python3.5/site-packages/mykrobe/data/panels/tb-walker-probe-set-feb-09-2017.fasta.gz"
+        ],
+        "sequence_calls": {},
+        "variant_calls": {
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+}