# HG changeset patch
# User galaxyp
# Date 1486435975 18000
# Node ID aa3728c18bd95c2ef0fced61b9e24f2eab603412
# Parent  ba5377754cce39af87655de65dbe3a5aa350d870
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit cb53f8e01ae0cc4dc7621f03ba209d040ef30312
diff -r ba5377754cce -r aa3728c18bd9 macros.xml
--- a/macros.xml	Wed Jan 25 15:37:31 2017 -0500
+++ b/macros.xml	Mon Feb 06 21:52:55 2017 -0500
@@ -8,109 +8,159 @@
         
     
     
-            -frag_tol "${fragment_tol}"
+            -frag_tol "${precursor_options.fragment_tol}"
             ### -frag_ppm
-            -prec_tol "${precursor_ion_tol}"
-            -prec_ppm "${precursor_ion_tol_units}"
-            ### -digestion
-            ### multiple enzymes?
-            -enzyme "${enzyme}"
-            ### -specificity
-            ### value per enzyme
-            -mc $missed_cleavages
-            #set $fixed_mods_str = $fixed_modifications or ''
-            #set $variable_mods_str = $variable_modifications or ''
+            -prec_tol "${precursor_options.precursor_ion_tol}"
+            -prec_ppm "${precursor_options.precursor_ion_tol_units}"
+
+            -min_charge $precursor_options.min_charge
+            -max_charge $precursor_options.max_charge
+            -fi $precursor_options.forward_ion
+            -ri $precursor_options.reverse_ion
+            -min_isotope ${precursor_options.min_isotope} 
+            -max_isotope ${precursor_options.max_isotope} 
+            #if $protein_digest_options.digestion.cleavage == 'default':
+              ## -enzyme "Trysin"
+              -mc $protein_digest_options.digestion.missed_cleavages
+            #elif $protein_digest_options.digestion.cleavage == '0' and len($protein_digest_options.digestion.digests) > 0:
+              #set $enzymes = []
+              #set $missed_cleavages = []
+              ## #set $specificities = []
+              #for $i, $digest in enumerate($protein_digest_options.digestion.digests):
+                  #silent $enzymes.append(str($digest.enzyme))
+                  #silent $missed_cleavages.append(str($digest.missed_cleavages))
+                  ## #silent $specificities.append(str($digest.specificity))
+              #end for    
+              -enzyme "#echo ','.join($enzymes)#"
+              -mc "#echo ','.join($missed_cleavages)#"
+              ## -specificity "#echo ','.join($specificities)#"
+            #else:
+               -digestion $protein_digest_options.digestion.cleavage
+            #end if
+
+            #set $fixed_mods_str = $protein_modification_options.fixed_modifications or ''
+            #set $variable_mods_str = $protein_modification_options.variable_modifications or ''
             #if $fixed_mods_str
                 -fixed_mods "$fixed_mods_str" 
             #end if
             #if $variable_mods_str
                 -variable_mods "$variable_mods_str"
             #end if
-            -min_charge $min_charge
-            -max_charge $max_charge
-            -fi $forward_ion
-            -ri $reverse_ion
-            -min_isotope ${min_isotope} 
-            -max_isotope ${max_isotope} 
 
     
     3
-    3.1.4
+    3.2.5
     
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diff -r ba5377754cce -r aa3728c18bd9 peptide_shaker.xml
--- a/peptide_shaker.xml	Wed Jan 25 15:37:31 2017 -0500
+++ b/peptide_shaker.xml	Mon Feb 06 21:52:55 2017 -0500
@@ -1,4 +1,4 @@
-
+
     
         Perform protein identification using various search engines based on results from SearchGUI
     
@@ -6,7 +6,7 @@
         macros.xml
     
     
-        peptide-shaker
+        peptide-shaker
     
     
     
@@ -82,7 +82,7 @@
             (peptide-shaker eu.isas.peptideshaker.cmd.MzidCLI
                 --exec_dir="\$cwd/${bin_dir}"
                 -in \$cwd/peptideshaker_output.zip
-                -output_file output.mzid
+                -output_file \$cwd/output.mzid
                 #if $contact_options.contact_options_selector == "yes":
                     -contact_first_name "$contact_options.contact_first_name"
                     -contact_last_name "$contact_options.contact_last_name"
@@ -337,7 +337,7 @@
             
             
             
-            
+