annotate MetaboliteAdductDecharger.xml @ 2:d37e3dc967b9 draft

planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit f608f41d45664d04d3124c6ebc791bf8a566b3c5
author galaxyp
date Wed, 15 May 2019 07:55:44 -0400
parents ca7fce38ea1f
children 68e3317532cb
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
0
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
1 <?xml version='1.0' encoding='UTF-8'?>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
2 <!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTDConverter.-->
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
3 <!--Proposed Tool Section: [Utilities]-->
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
4 <tool id="MetaboliteAdductDecharger" name="MetaboliteAdductDecharger" version="2.3.0">
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
5 <description>Decharges and merges different feature charge variants of the same metabolite.</description>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
6 <macros>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
7 <token name="@EXECUTABLE@">MetaboliteAdductDecharger</token>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
8 <import>macros.xml</import>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
9 </macros>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
10 <expand macro="references"/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
11 <expand macro="stdio"/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
12 <expand macro="requirements"/>
2
d37e3dc967b9 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit f608f41d45664d04d3124c6ebc791bf8a566b3c5
galaxyp
parents: 0
diff changeset
13 <command detect_errors="aggressive"><![CDATA[MetaboliteAdductDecharger
0
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
14
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
15 #if $param_in:
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
16 -in $param_in
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
17 #end if
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
18 #if $param_out_cm:
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
19 -out_cm $param_out_cm
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
20 #end if
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
21 #if $param_out_fm:
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
22 -out_fm $param_out_fm
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
23 #end if
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
24 #if $param_outpairs:
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
25 -outpairs $param_outpairs
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
26 #end if
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
27 #if $param_algorithm_MetaboliteFeatureDeconvolution_charge_min:
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
28 -algorithm:MetaboliteFeatureDeconvolution:charge_min $param_algorithm_MetaboliteFeatureDeconvolution_charge_min
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
29 #end if
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
30 #if $param_algorithm_MetaboliteFeatureDeconvolution_charge_max:
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
31 -algorithm:MetaboliteFeatureDeconvolution:charge_max $param_algorithm_MetaboliteFeatureDeconvolution_charge_max
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
32 #end if
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
33 #if $param_algorithm_MetaboliteFeatureDeconvolution_charge_span_max:
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
34 -algorithm:MetaboliteFeatureDeconvolution:charge_span_max $param_algorithm_MetaboliteFeatureDeconvolution_charge_span_max
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
35 #end if
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
36 #if $param_algorithm_MetaboliteFeatureDeconvolution_q_try:
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
37 -algorithm:MetaboliteFeatureDeconvolution:q_try
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
38 #if " " in str($param_algorithm_MetaboliteFeatureDeconvolution_q_try):
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
39 "$param_algorithm_MetaboliteFeatureDeconvolution_q_try"
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
40 #else
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
41 $param_algorithm_MetaboliteFeatureDeconvolution_q_try
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
42 #end if
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
43 #end if
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
44 #if $param_algorithm_MetaboliteFeatureDeconvolution_retention_max_diff:
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
45 -algorithm:MetaboliteFeatureDeconvolution:retention_max_diff $param_algorithm_MetaboliteFeatureDeconvolution_retention_max_diff
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
46 #end if
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
47 #if $param_algorithm_MetaboliteFeatureDeconvolution_retention_max_diff_local:
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
48 -algorithm:MetaboliteFeatureDeconvolution:retention_max_diff_local $param_algorithm_MetaboliteFeatureDeconvolution_retention_max_diff_local
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
49 #end if
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
50 #if $param_algorithm_MetaboliteFeatureDeconvolution_mass_max_diff:
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
51 -algorithm:MetaboliteFeatureDeconvolution:mass_max_diff $param_algorithm_MetaboliteFeatureDeconvolution_mass_max_diff
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
52 #end if
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
53
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
54 #if $rep_param_algorithm_MetaboliteFeatureDeconvolution_potential_adducts:
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
55 -algorithm:MetaboliteFeatureDeconvolution:potential_adducts
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
56 #for token in $rep_param_algorithm_MetaboliteFeatureDeconvolution_potential_adducts:
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
57 #if " " in str(token):
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
58 "$token.param_algorithm_MetaboliteFeatureDeconvolution_potential_adducts"
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
59 #else
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
60 $token.param_algorithm_MetaboliteFeatureDeconvolution_potential_adducts
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
61 #end if
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
62 #end for
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
63 #end if
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
64 #if $param_algorithm_MetaboliteFeatureDeconvolution_max_neutrals:
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
65 -algorithm:MetaboliteFeatureDeconvolution:max_neutrals $param_algorithm_MetaboliteFeatureDeconvolution_max_neutrals
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
66 #end if
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
67 #if $param_algorithm_MetaboliteFeatureDeconvolution_max_minority_bound:
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
68 -algorithm:MetaboliteFeatureDeconvolution:max_minority_bound $param_algorithm_MetaboliteFeatureDeconvolution_max_minority_bound
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
69 #end if
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
70 #if $param_algorithm_MetaboliteFeatureDeconvolution_min_rt_overlap:
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
71 -algorithm:MetaboliteFeatureDeconvolution:min_rt_overlap $param_algorithm_MetaboliteFeatureDeconvolution_min_rt_overlap
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
72 #end if
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
73 #if $param_algorithm_MetaboliteFeatureDeconvolution_intensity_filter:
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
74 -algorithm:MetaboliteFeatureDeconvolution:intensity_filter
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
75 #end if
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
76 #if $param_algorithm_MetaboliteFeatureDeconvolution_negative_mode:
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
77 -algorithm:MetaboliteFeatureDeconvolution:negative_mode "$param_algorithm_MetaboliteFeatureDeconvolution_negative_mode"
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
78 #end if
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
79 #if $adv_opts.adv_opts_selector=='advanced':
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
80 #if $adv_opts.param_force:
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
81 -force
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
82 #end if
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
83 #if $adv_opts.param_algorithm_MetaboliteFeatureDeconvolution_default_map_label:
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
84 -algorithm:MetaboliteFeatureDeconvolution:default_map_label "$adv_opts.param_algorithm_MetaboliteFeatureDeconvolution_default_map_label"
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
85 #end if
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
86 #if $adv_opts.param_algorithm_MetaboliteFeatureDeconvolution_verbose_level:
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
87 -algorithm:MetaboliteFeatureDeconvolution:verbose_level $adv_opts.param_algorithm_MetaboliteFeatureDeconvolution_verbose_level
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
88 #end if
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
89 #end if
2
d37e3dc967b9 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit f608f41d45664d04d3124c6ebc791bf8a566b3c5
galaxyp
parents: 0
diff changeset
90 ]]></command>
0
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
91 <inputs>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
92 <param name="param_in" type="data" format="featurexml" optional="False" label="input file" help="(-in) "/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
93 <param name="param_algorithm_MetaboliteFeatureDeconvolution_charge_min" type="integer" value="1" label="Minimal possible charge" help="(-charge_min) "/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
94 <param name="param_algorithm_MetaboliteFeatureDeconvolution_charge_max" type="integer" value="3" label="Maximal possible charge" help="(-charge_max) "/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
95 <param name="param_algorithm_MetaboliteFeatureDeconvolution_charge_span_max" type="integer" min="1" optional="True" value="3" label="Maximal range of charges for a single analyte, i.e" help="(-charge_span_max) observing q1=[5,6,7] implies span=3. Setting this to 1 will only find adduct variants of the same charge"/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
96 <param name="param_algorithm_MetaboliteFeatureDeconvolution_q_try" display="radio" type="select" optional="False" value="feature" label="Try different values of charge for each feature according to the above settings ('heuristic' [does not test all charges, just the likely ones] or 'all' ), or leave feature charge untouched ('feature')" help="(-q_try) ">
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
97 <option value="feature" selected="true">feature</option>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
98 <option value="heuristic">heuristic</option>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
99 <option value="all">all</option>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
100 </param>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
101 <param name="param_algorithm_MetaboliteFeatureDeconvolution_retention_max_diff" type="float" value="1.0" label="Maximum allowed RT difference between any two features if their relation shall be determined" help="(-retention_max_diff) "/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
102 <param name="param_algorithm_MetaboliteFeatureDeconvolution_retention_max_diff_local" type="float" value="1.0" label="Maximum allowed RT difference between between two co-features, after adduct shifts have been accounted for (if you do not have any adduct shifts, this value should be equal to 'retention_max_diff', otherwise it should be smaller!)" help="(-retention_max_diff_local) "/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
103 <param name="param_algorithm_MetaboliteFeatureDeconvolution_mass_max_diff" type="float" value="0.05" label="Maximum allowed mass difference [in Th] for a single feature" help="(-mass_max_diff) "/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
104 <repeat name="rep_param_algorithm_MetaboliteFeatureDeconvolution_potential_adducts" min="0" max="1" title="param_algorithm_MetaboliteFeatureDeconvolution_potential_adducts">
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
105 <param name="param_algorithm_MetaboliteFeatureDeconvolution_potential_adducts" type="text" size="30" value="K:+:0.1" label="Adducts used to explain mass differences in format: 'Element:Charge(+/-):Probability[:RTShift[:Label]]', i.e. the number of '+' or '-' indicate the charge," help="(-potential_adducts) e.g. 'Ca:++:0.5' indicates +2. Probabilites have to be in (0,1]. RTShift param is optional and indicates the expected RT shift caused by this adduct, e.g. '(2)H4H-4:0:1:-3' indicates a 4 deuterium label, which causes early elution by 3 seconds. As a fifth parameter you can add a label which is tagged on every feature which has this adduct. This also determines the map number in the consensus file">
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
106 <sanitizer>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
107 <valid initial="string.printable">
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
108 <remove value="'"/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
109 <remove value="&quot;"/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
110 </valid>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
111 </sanitizer>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
112 </param>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
113 </repeat>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
114 <param name="param_algorithm_MetaboliteFeatureDeconvolution_max_neutrals" type="integer" value="0" label="Maximal number of neutral adducts(q=0) allowed" help="(-max_neutrals) Add them in the 'potential_adducts' section!"/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
115 <param name="param_algorithm_MetaboliteFeatureDeconvolution_max_minority_bound" type="integer" min="0" optional="True" value="2" label="Maximum count of the least probable adduct (according to 'potential_adducts' param) within a charge variant" help="(-max_minority_bound) E.g. setting this to 2 will not allow an adduct composition of '1(H+),3(Na+)' if Na+ is the least probable adduct"/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
116 <param name="param_algorithm_MetaboliteFeatureDeconvolution_min_rt_overlap" type="float" min="0.0" max="1.0" optional="True" value="0.66" label="Minimum overlap of the convex hull' RT intersection measured against the union from two features (if CHs are given)" help="(-min_rt_overlap) "/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
117 <param name="param_algorithm_MetaboliteFeatureDeconvolution_intensity_filter" display="radio" type="boolean" truevalue="-algorithm:MetaboliteFeatureDeconvolution:intensity_filter" falsevalue="" checked="false" optional="True" label="Enable the intensity filter, which will only allow edges between two equally charged features if the intensity of the feature with less likely adducts is smaller than that of the other feature" help="(-intensity_filter) It is not used for features of different charge"/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
118 <param name="param_algorithm_MetaboliteFeatureDeconvolution_negative_mode" type="text" size="30" value="false" label="Enable negative ionization mode" help="(-negative_mode) ">
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
119 <sanitizer>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
120 <valid initial="string.printable">
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
121 <remove value="'"/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
122 <remove value="&quot;"/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
123 </valid>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
124 </sanitizer>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
125 </param>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
126 <expand macro="advanced_options">
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
127 <param name="param_force" display="radio" type="boolean" truevalue="-force" falsevalue="" checked="false" optional="True" label="Overwrite tool specific checks" help="(-force) "/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
128 <param name="param_algorithm_MetaboliteFeatureDeconvolution_default_map_label" type="text" size="30" value="decharged features" label="Label of map in output consensus file where all features are put by default" help="(-default_map_label) ">
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
129 <sanitizer>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
130 <valid initial="string.printable">
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
131 <remove value="'"/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
132 <remove value="&quot;"/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
133 </valid>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
134 </sanitizer>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
135 </param>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
136 <param name="param_algorithm_MetaboliteFeatureDeconvolution_verbose_level" type="integer" min="0" max="3" optional="True" value="0" label="Amount of debug information given during processing" help="(-verbose_level) "/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
137 </expand>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
138 </inputs>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
139 <outputs>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
140 <data name="param_out_cm" format="consensusxml"/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
141 <data name="param_out_fm" format="featurexml"/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
142 <data name="param_outpairs" format="consensusxml"/>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
143 </outputs>
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
144 <help>Decharges and merges different feature charge variants of the same metabolite.
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
145
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
146
2
d37e3dc967b9 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit f608f41d45664d04d3124c6ebc791bf8a566b3c5
galaxyp
parents: 0
diff changeset
147 For more information, visit https://abibuilder.informatik.uni-tuebingen.de/archive/openms/Documentation/release/2.3.0/html/UTILS_MetaboliteAdductDecharger.html</help>
0
ca7fce38ea1f planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b
galaxyp
parents:
diff changeset
148 </tool>