Mercurial > repos > bgruening > ctb_im_constrained_conf_gen

diff macros.xml @ 0:9c5121dd2fd4 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
author bgruening
date Tue, 21 Jul 2020 05:25:31 -0400
parents
children ac204d3f7312
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/macros.xml	Tue Jul 21 05:25:31 2020 -0400
@@ -0,0 +1,37 @@
+<macros>
+    <token name="@TOOL_VERSION@">1.1.3</token>
+    <xml name="requirements">
+        <requirements>
+            <requirement type="package" version="@TOOL_VERSION@">im-pipelines</requirement>
+        </requirements>
+    </xml>
+
+    <xml name="input">
+        <param name="infile" type="data" format="sdf" label="Input file" help="Input file in SDF or JSON format"/>
+    </xml>
+
+    <xml name="outputs" token_output_format="sdf" token_filetype="sdf">
+        <outputs>
+            <data name="outfile" format="@FILETYPE@" label="Output (@FILETYPE@) for ${tool.name}" from_work_dir="outp.@OUTPUT_FORMAT@"/>
+            <data name="logfile" format="txt" label="Logfile for ${tool.name}"/>
+        </outputs>
+    </xml>
+
+    <xml name="citations">
+        <citations>
+            <citation type="bibtex">
+                @article{rdkit,
+                    author = {Greg Landrum and others},
+                    title = {RDKit: Open-source cheminformatics},
+                    url = {http://www.rdkit.org}
+            }</citation>
+            <citation type="bibtex">
+                @article{im-pipelines,
+                    author = {Tim Dudgeon and others},
+                    title = {InformaticsMatters pipeline components for cheminformatics and computational chemistry.},
+                    url = {https://github.com/InformaticsMatters/pipelines}
+            }</citation>
+            <yield />
+        </citations>
+    </xml>
+</macros>