Mercurial > repos > computational-metabolomics > dimspy_align_samples
comparison align_samples.xml @ 2:7b6f148bd99f draft default tip
"planemo upload for repository https://github.com/computational-metabolomics/dimspy-galaxy commit 80069808371b58f45da0c8133c27d67ac1a5b448"
author | computational-metabolomics |
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date | Wed, 17 Feb 2021 10:57:52 +0000 |
parents | c72868b80c29 |
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1:c72868b80c29 | 2:7b6f148bd99f |
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1 <tool id="dimspy_align_samples" name="Align Samples" version="@TOOL_VERSION@+galaxy@GALAXY_TOOL_VERSION@"> | 1 <tool id="dimspy_align_samples" name="Align Samples" version="@TOOL_VERSION@+galaxy1"> |
2 <description> - Align peaks across Peaklists</description> | 2 <description> - Align peaks across Peaklists</description> |
3 <macros> | 3 <macros> |
4 <import>macros.xml</import> | 4 <import>macros.xml</import> |
5 </macros> | 5 </macros> |
6 <expand macro="requirements" /> | 6 <expand macro="requirements" /> |
11 --output '$hdf5_file_out' | 11 --output '$hdf5_file_out' |
12 #if $filelist | 12 #if $filelist |
13 --filelist '$filelist' | 13 --filelist '$filelist' |
14 #end if | 14 #end if |
15 --ppm $ppm | 15 --ppm $ppm |
16 --ncpu \${GALAXY_SLOTS:-1} | |
17 --block-size $adv.block_size | |
16 #if $hdf5_to_txt.standard | 18 #if $hdf5_to_txt.standard |
17 && | 19 && |
18 @HDF5_PM_TO_TXT@ | 20 @HDF5_PM_TO_TXT@ |
19 #end if | 21 #end if |
20 #if $hdf5_to_txt.comprehensive | 22 #if $hdf5_to_txt.comprehensive |
27 <param name="hdf5_file_in" argument="--input" type="data" format="h5" label="Peaklists (HDF5 file)" help="" /> | 29 <param name="hdf5_file_in" argument="--input" type="data" format="h5" label="Peaklists (HDF5 file)" help="" /> |
28 <param name="filelist" argument="--filelist" type="data" format="tsv,tabular" optional="true" label="Filelist / Samplelist" help="Only provide a filelist if you like to exclude Peaklists, update the metadata (e.g. classLabel), or if you have not provided a filelist for Process Scans or Replicate Filter." /> | 30 <param name="filelist" argument="--filelist" type="data" format="tsv,tabular" optional="true" label="Filelist / Samplelist" help="Only provide a filelist if you like to exclude Peaklists, update the metadata (e.g. classLabel), or if you have not provided a filelist for Process Scans or Replicate Filter." /> |
29 <param name="ppm" argument="--ppm" type="float" value="2.0" label="Ppm error tolerance" help="Maximum tolerated m/z deviation across samples in parts per million (ppm)." /> | 31 <param name="ppm" argument="--ppm" type="float" value="2.0" label="Ppm error tolerance" help="Maximum tolerated m/z deviation across samples in parts per million (ppm)." /> |
30 <param name="delimiter" argument="--delimiter" type="hidden" value="tab" /> | 32 <param name="delimiter" argument="--delimiter" type="hidden" value="tab" /> |
31 <expand macro="hdf5_pm_to_txt" /> | 33 <expand macro="hdf5_pm_to_txt" /> |
34 <section name="adv" title="Advanced options" expanded="False"> | |
35 <param name="block_size" argument="--block-size" type="integer" value="5000" label="Block size" help="The size of each block of peaks to perform clustering on." /> | |
36 </section> | |
32 </inputs> | 37 </inputs> |
33 <outputs> | 38 <outputs> |
34 <expand macro="outputs_peak_intensity_matrix" /> | 39 <expand macro="outputs_peak_intensity_matrix" /> |
35 </outputs> | 40 </outputs> |
36 <tests> | 41 <tests> |
42 <param name="standard" value="True"/> | 47 <param name="standard" value="True"/> |
43 <param name="comprehensive" value="False"/> | 48 <param name="comprehensive" value="False"/> |
44 <param name="samples_representations" value="rows"/> | 49 <param name="samples_representations" value="rows"/> |
45 <param name="matrix_attr" value="intensity"/> | 50 <param name="matrix_attr" value="intensity"/> |
46 </conditional> | 51 </conditional> |
52 <output name="hdf5_file_out" file="pm_as.h5" ftype="h5" compare="sim_size"/> | |
53 <output name="matrix_file_out" file="peak_matrix_as.txt" ftype="tsv"/> | |
54 </test> | |
55 <test> | |
56 <param name="hdf5_file_in" value="pls_rf.h5" ftype="h5"/> | |
57 <param name="ppm" value="2.0"/> | |
58 <param name="delimiter" value="tab"/> | |
59 <conditional name="hdf5_to_txt" > | |
60 <param name="standard" value="True"/> | |
61 <param name="comprehensive" value="False"/> | |
62 <param name="samples_representations" value="rows"/> | |
63 <param name="matrix_attr" value="intensity"/> | |
64 </conditional> | |
65 <section name="adv"> | |
66 <param name="block_size" value="10000"/> | |
67 </section> | |
47 <output name="hdf5_file_out" file="pm_as.h5" ftype="h5" compare="sim_size"/> | 68 <output name="hdf5_file_out" file="pm_as.h5" ftype="h5" compare="sim_size"/> |
48 <output name="matrix_file_out" file="peak_matrix_as.txt" ftype="tsv"/> | 69 <output name="matrix_file_out" file="peak_matrix_as.txt" ftype="tsv"/> |
49 </test> | 70 </test> |
50 <test> | 71 <test> |
51 <param name="hdf5_file_in" value="pls_rf.h5" ftype="h5"/> | 72 <param name="hdf5_file_in" value="pls_rf.h5" ftype="h5"/> |