Mercurial > repos > guerler > spring_model

comparison macros.xml @ 0:7ec607bad681 draft

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"planemo upload commit 6158473dbced09024b0a805a7df2c93d47705d87"
author guerler
date Tue, 23 Mar 2021 13:55:00 +0000
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children 719931bce361
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-1:000000000000 0:7ec607bad681
1 <macros>
2 <xml name="requirements">
3 <requirements>
4 <requirement type="package" version="@TOOL_VERSION@">springsuite</requirement>
5 <yield />
6 </requirements>
7 </xml>
8 <token name="@TOOL_VERSION@">0.1</token>
9 <token name="@VERSION_SUFFIX@">0</token>
10
11 <xml name="ffindex_single_inputs">
12 <param name="ffdata" type="data" format="ffdata" label="PDB Database" help="Database Data file." />
13 <param name="ffindex" type="data" format="ffindex" label="PDB Database Index" help="Database Index file." />
14 </xml>
15
16 <xml name="ffindex_single_inputs_hhr">
17 <param name="ffdata" type="data" format="ffdata" label="HHR Database" help="Database Data file." />
18 <param name="ffindex" type="data" format="ffindex" label="HHR Database Index" help="Database Index file." />
19 </xml>
20
21 <xml name="citations">
22 <citations>
23 <citation type="doi">10.1021/ci300579r</citation>
24 </citations>
25 </xml>
26 <xml name="logfile">
27 <param name="logfile" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Output log file" />
28 </xml>
29
30 <xml name="pdb_source">
31 <conditional name="pdb_source">
32 <param name="pdb_source_selector" type="select" label="Custom or built-in PDB" help="Built-ins have been indexed using ffindex">
33 <option value="indexed" selected="true">Use a built-in index</option>
34 <option value="history">Use a PDB index from history</option>
35 </param>
36 <when value="indexed">
37 <param name="pdb" type="select" label="Select PDB database" help="">
38 <options from_data_table="ffindex_indices">
39 <filter type="sort_by" column="0" />
40 <filter type="static_value" column="3" value="pdb" />
41 <validator type="no_options" message="No indices are available" />
42 </options>
43 </param>
44 </when>
45 <when value="history">
46 <expand macro="ffindex_single_inputs" />
47 </when>
48 </conditional>
49 </xml>
50 <xml name="hhr_source">
51 <conditional name="hhr_source">
52 <param name="hhr_source_selector" type="select" label="Custom or built-in HHR index" help="Built-ins have been indexed using ffindex">
53 <option value="indexed" selected="true">Use a built-in index</option>
54 <option value="history">Use a HHR index from history</option>
55 </param>
56 <when value="indexed">
57 <param name="hhr" type="select" label="Select HHR database" help="">
58 <options from_data_table="ffindex_indices">
59 <filter type="sort_by" column="0" />
60 <filter type="static_value" column="3" value="hhr" />
61 <validator type="no_options" message="No indices are available" />
62 </options>
63 </param>
64 </when>
65 <when value="history">
66 <expand macro="ffindex_single_inputs_hhr" />
67 </when>
68 </conditional>
69 </xml>
70
71 <token name="@pdb_source@">
72 #if $pdb_source.pdb_source_selector == 'indexed':
73 -d '${pdb_source.pdb.fields.path}.ffdata'
74 -i '${pdb_source.pdb.fields.path}.ffindex'
75 #else
76 -d '$pdb_source.ffdata'
77 -i '$pdb_source.ffindex'
78 #end if
79 </token>
80 <token name="@hhr_source@">
81 #if $hhr_source.hhr_source_selector == 'indexed':
82 -dh '${hhr_source.hhr.fields.path}.ffdata'
83 -ih '${hhr_source.hhr.fields.path}.ffindex'
84 #else
85 -dh '$hhr_source.ffdata'
86 -ih '$hhr_source.ffindex'
87 #end if
88 </token>
89 </macros>