Mercurial > repos > recetox > matchms_filtering

annotate macros.xml @ 8:a4ff1b172ac4 draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
author recetox
date Tue, 27 Jun 2023 14:18:23 +0000
parents f10ca592f2c5
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
1
2f9c19fa4346 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
recetox
parents:
diff changeset
1 <macros>
8
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
2 <token name="@TOOL_VERSION@">0.20.0</token>
1
2f9c19fa4346 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
recetox
parents:
diff changeset
3
2f9c19fa4346 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
recetox
parents:
diff changeset
4 <xml name="creator">
2f9c19fa4346 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
recetox
parents:
diff changeset
5 <creator>
6
282815b0c7bd planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
recetox
parents: 5
diff changeset
6 <yield/>
1
2f9c19fa4346 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
recetox
parents:
diff changeset
7 <person
2f9c19fa4346 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
recetox
parents:
diff changeset
8 givenName="Helge"
2f9c19fa4346 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
recetox
parents:
diff changeset
9 familyName="Hecht"
2f9c19fa4346 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
recetox
parents:
diff changeset
10 url="https://github.com/hechth"
2f9c19fa4346 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
recetox
parents:
diff changeset
11 identifier="0000-0001-6744-996X" />
4
a1eb173cab5d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit ca44513d50b29a4706e2a2db96c23ef6688b7c2d
recetox
parents: 2
diff changeset
12 <person
5
97c405041116 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 5661cf2406e0616d7b2f4bee1b57ec43716088de
recetox
parents: 4
diff changeset
13 givenName="Maksym"
97c405041116 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 5661cf2406e0616d7b2f4bee1b57ec43716088de
recetox
parents: 4
diff changeset
14 familyName="Skoryk"
97c405041116 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 5661cf2406e0616d7b2f4bee1b57ec43716088de
recetox
parents: 4
diff changeset
15 url="https://github.com/maximskorik"
97c405041116 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 5661cf2406e0616d7b2f4bee1b57ec43716088de
recetox
parents: 4
diff changeset
16 identifier="0000-0003-2056-8018" />
97c405041116 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 5661cf2406e0616d7b2f4bee1b57ec43716088de
recetox
parents: 4
diff changeset
17 <person
4
a1eb173cab5d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit ca44513d50b29a4706e2a2db96c23ef6688b7c2d
recetox
parents: 2
diff changeset
18 givenName="Zargham"
a1eb173cab5d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit ca44513d50b29a4706e2a2db96c23ef6688b7c2d
recetox
parents: 2
diff changeset
19 familyName="Ahmad"
a1eb173cab5d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit ca44513d50b29a4706e2a2db96c23ef6688b7c2d
recetox
parents: 2
diff changeset
20 url="https://github.com/zargham-ahmad"
a1eb173cab5d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit ca44513d50b29a4706e2a2db96c23ef6688b7c2d
recetox
parents: 2
diff changeset
21 identifier="0000-0002-6096-224X" />
7
f10ca592f2c5 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 5888b20035c9c782b7c94495b0760134f82f4c2e
recetox
parents: 6
diff changeset
22 <person
f10ca592f2c5 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 5888b20035c9c782b7c94495b0760134f82f4c2e
recetox
parents: 6
diff changeset
23 givenName="Wudmir"
f10ca592f2c5 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 5888b20035c9c782b7c94495b0760134f82f4c2e
recetox
parents: 6
diff changeset
24 familyName="Rojas"
f10ca592f2c5 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 5888b20035c9c782b7c94495b0760134f82f4c2e
recetox
parents: 6
diff changeset
25 url="https://github.com/wverastegui"
f10ca592f2c5 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 5888b20035c9c782b7c94495b0760134f82f4c2e
recetox
parents: 6
diff changeset
26 identifier="0000-0001-7036-9987" />
1
2f9c19fa4346 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
recetox
parents:
diff changeset
27 <organization
2f9c19fa4346 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
recetox
parents:
diff changeset
28 url="https://www.recetox.muni.cz/"
2f9c19fa4346 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
recetox
parents:
diff changeset
29 email="GalaxyToolsDevelopmentandDeployment@space.muni.cz"
2f9c19fa4346 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
recetox
parents:
diff changeset
30 name="RECETOX MUNI" />
2f9c19fa4346 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
recetox
parents:
diff changeset
31 </creator>
2f9c19fa4346 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
recetox
parents:
diff changeset
32 </xml>
5
97c405041116 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 5661cf2406e0616d7b2f4bee1b57ec43716088de
recetox
parents: 4
diff changeset
33
8
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
34 <xml name="bio.tools">
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
35 <xrefs>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
36 <xref type="bio.tools">matchms</xref>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
37 </xrefs>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
38 </xml>
1
2f9c19fa4346 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
recetox
parents:
diff changeset
39
8
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
40 <xml name="similarity_metrics">
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
41 <option value="CosineGreedy" selected="true">CosineGreedy</option>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
42 <option value="CosineHungarian">CosineHungarian</option>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
43 <option value="ModifiedCosine">ModifiedCosine</option>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
44 <option value="NeutralLossesCosine">NeutralLossesCosine</option>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
45 </xml>
1
2f9c19fa4346 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
recetox
parents:
diff changeset
46
8
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
47 <xml name="similarity_algorithm_params">
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
48 <section name="algorithm" title="Algorithm Parameters" expanded="true">
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
49 <param label="tolerance [Da]" name="tolerance" type="float" value="0.1"
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
50 help="Peaks will be considered a match when less than tolerance apart. Absolute m/z value, not in ppm."/>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
51 <param label="mz_power" name="mz_power" type="float" value="0.0"
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
52 help="The power to raise mz to in the cosine function."/>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
53 <param label="intensity_power" name="intensity_power" type="float" value="1.0"
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
54 help="The power to raise intensity to in the cosine function."/>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
55 </section>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
56 </xml>
1
2f9c19fa4346 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
recetox
parents:
diff changeset
57
8
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
58 <xml name="input_param">
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
59 <conditional name="scores">
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
60 <param name="use_scores" label="Use Scores Object" type="boolean" truevalue="TRUE" falsevalue="FALSE"
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
61 checked="false"/>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
62 <when value="TRUE">
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
63 <param label="Scores object" name="scores_in" type="data" format="json"
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
64 help="Scores objects calculated previously using one of the matchms similarity tools." />
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
65 <param label="join type" name="join_type" type="select" display="radio"
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
66 help="The join type to use for appending scores - see [1] for details.">
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
67 <option value="left" selected="true">left</option>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
68 <option value="inner">inner</option>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
69 <option value="right">right</option>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
70 <option value="outer">outer</option>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
71 </param>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
72 </when>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
73 <when value="FALSE">
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
74 <param label="Queries spectra" name="queries" type="data" format="msp"
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
75 help="Query mass spectra to match against references."/>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
76 <param label="Reference spectra" name="references" type="data" format="msp"
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
77 help="Reference mass spectra to match against as library."/>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
78 </when>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
79 </conditional>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
80 </xml>
1
2f9c19fa4346 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
recetox
parents:
diff changeset
81
8
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
82 <xml name="citations">
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
83 <citations>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
84 <citation type="doi">10.5281/zenodo.7178586</citation>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
85 <citation type="doi">10.21105/joss.02411</citation>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
86 </citations>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
87 </xml>
6
282815b0c7bd planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
recetox
parents: 5
diff changeset
88
8
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
89 <token name="@init_scores@">
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
90 from matchms.importing import load_from_msp, scores_from_json
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
91 from matchms import Scores
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
92 #if $scores.use_scores
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
93 scores = scores_from_json("$scores_in")
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
94 join_type = "$scores.join_type"
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
95 #else
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
96 scores = Scores(references=list(load_from_msp("$references")), queries=list(load_from_msp("$queries")), is_symmetric=False)
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
97 join_type = "left"
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
98 #end if
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
99 </token>
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
100
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
101 <token name="@init_logger@">
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
102 from matchms import set_matchms_logger_level
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
103 set_matchms_logger_level("WARNING")
a4ff1b172ac4 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
recetox
parents: 7
diff changeset
104 </token>
1
2f9c19fa4346 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
recetox
parents:
diff changeset
105 </macros>