Mercurial > repos > galaxyp > peptideshaker
diff searchgui.xml @ 47:44ca2967218c draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 69b2ae0ff05482e85ee086005462e7859b383064
author | galaxyp |
---|---|
date | Sat, 15 Sep 2018 08:51:12 -0400 |
parents | baeced706dbc |
children | 64e3a8cc8ffb |
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--- a/searchgui.xml Wed Jul 11 08:14:23 2018 -0400 +++ b/searchgui.xml Sat Sep 15 08:51:12 2018 -0400 @@ -6,11 +6,11 @@ <import>macros.xml</import> </macros> <requirements> - <requirement type="package" version="@SEARCHGUI_VERSION@">searchgui</requirement> - <requirement type="package" version="3.0">zip</requirement> + <requirement type="package" version="@SEARCHGUI_VERSION@">searchgui</requirement> + <requirement type="package" version="3.0">zip</requirement> </requirements> <expand macro="stdio" /> - <command> + <command use_shared_home="false"> <![CDATA[ #from datetime import datetime #set $exp_str = "Galaxy_Experiment_%s" % datetime.now().strftime("%Y%m%d%H%M%s") @@ -23,28 +23,40 @@ cwd=`pwd`; export HOME=\$cwd; - ## echo the search engines to run - echo "$search_engines_options.engines"; - echo "DB: ${input_database.display_name} sequences: ${input_database.metadata.sequences}"; + ## echo the search engines to run (single quotes important because X!Tandem) + echo '$search_engines_options.engines'; + echo 'DB: ${input_database.display_name} sequences: ${input_database.metadata.sequences}'; ##Create a searchgui.properties file for the version, which will be added to the searchgui_results if not already present - echo "searchgui.version=@SEARCHGUI_VERSION@" >> searchgui.properties; + echo 'searchgui.version=@SEARCHGUI_VERSION@' >> searchgui.properties; #for $mgf in $peak_lists: #set $input_name = $mgf.display_name.split('/')[-1].replace(".mgf", "") + ".mgf" ln -s -f '${mgf}' '${input_name}'; #set $encoded_id = $__app__.security.encode_id($mgf.id) - echo "Spectrums:${mgf.display_name}(API:${encoded_id}) "; + echo 'Spectrums:${mgf.display_name}(API:${encoded_id})'; #end for ##ln -s "${input_database}" input_database.fasta; cp "${input_database}" input_database.fasta; ########################################### + #### Set paths #### + ########################################### + echo 'Setting paths' && + searchgui eu.isas.searchgui.cmd.PathSettingsCLI + --exec_dir="\$cwd/${bin_dir}" + -temp_folder \$cwd + -log \$cwd/searchgui.log 2>> $temp_stderr && + + ########################################### #### Creating decoy database #### ########################################### #if $protein_database_options.create_decoy: - echo "Creating decoy database."; - searchgui eu.isas.searchgui.cmd.FastaCLI --exec_dir="\$cwd/${bin_dir}" -in input_database.fasta -decoy && + echo 'Creating decoy database.' && + searchgui eu.isas.searchgui.cmd.FastaCLI + --exec_dir="\$cwd/${bin_dir}" + -in input_database.fasta + -decoy 2>> $temp_stderr && rm input_database.fasta && cp input_database_concatenated_target_decoy.fasta input_database.fasta && ## ln -sf input_database_concatenated_target_decoy.fasta input_database.fasta; @@ -53,6 +65,7 @@ ##################################################### ## generate IdentificationParameters for SearchGUI ## ##################################################### + echo 'setting identification parameters' && (searchgui eu.isas.searchgui.cmd.IdentificationParametersCLI --exec_dir="\$cwd/${bin_dir}" -out SEARCHGUI_IdentificationParameters.par @@ -323,9 +336,9 @@ ################ ## Search CLI ## ################ + echo 'running search gui' && (searchgui -Djava.awt.headless=true eu.isas.searchgui.cmd.SearchCLI --exec_dir="\$cwd/${bin_dir}" - -temp_folder `pwd` -spectrum_files \$cwd -output_folder \$cwd/output -id_params SEARCHGUI_IdentificationParameters.par @@ -1097,7 +1110,7 @@ <param name="engines" value="X!Tandem,MSGF,MyriMatch,OMSSA,Comet"/> <param name="xtandem.xtandem_advanced" value="yes"/> <param name="xtandem_advanced.xtandem_refine_selector" value="yes"/> - <output name="output" file="tiny_searchgui_result1.zip" ftype="searchgui_archive" compare="sim_size" delta="30000" /> + <output name="searchgui_results" file="tiny_searchgui_result1.zip" ftype="searchgui_archive" compare="sim_size" delta="30000" /> </test> <!-- Test that search works with MSAmanda --> <test> @@ -1107,7 +1120,7 @@ <param name="min_charge" value="1"/> <param name="max_charge" value="3"/> <param name="engines" value="MS_Amanda"/> - <output name="output" file="tiny_searchgui_result_amandaonly.zip" ftype="searchgui_archive" compare="sim_size" delta="5000" /> + <output name="searchgui_results" file="tiny_searchgui_result_amandaonly.zip" ftype="searchgui_archive" compare="sim_size" delta="5000" /> </test> <!-- Test that specifying non-default search engines works using modifications -->