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changeset 4:59eea7d0d720 draft

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"planemo upload for repository https://github.com/chembl/chembl_webresource_client commit f5c316339ed36a0469f4862d00fa0e5cafebc041"
author bgruening
date Tue, 19 May 2020 05:34:34 -0400
parents 8b6ba267714b
children 1ade252ebe08
files chembl.py chembl.xml test-data/in1.smi
diffstat 3 files changed, 6 insertions(+), 5 deletions(-) [+]
line wrap: on
line diff
--- a/chembl.py	Wed Apr 01 07:04:25 2020 -0400
+++ b/chembl.py	Tue May 19 05:34:34 2020 -0400
@@ -5,7 +5,7 @@
 
 def open_file(filename):
     with open(filename) as f:
-        return f.readline()
+        return f.readline().split()[0]
 
 def get_smiles(res):
     """
--- a/chembl.xml	Wed Apr 01 07:04:25 2020 -0400
+++ b/chembl.xml	Tue May 19 05:34:34 2020 -0400
@@ -1,10 +1,11 @@
-<tool id="chembl" name="Search ChEMBL database" version="@VERSION@">
+<tool id="chembl" name="Search ChEMBL database" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
     <macros>
-        <token name="@VERSION@">0.10.1</token>
+        <token name="@TOOL_VERSION@">0.10.1</token>
+        <token name="@GALAXY_VERSION@">1</token>
     </macros>
     <description>for compounds which are similar to a SMILES string</description>
     <requirements>
-        <requirement type="package" version="@VERSION@">chembl_webresource_client</requirement>
+        <requirement type="package" version="@TOOL_VERSION@">chembl_webresource_client</requirement>
     </requirements>
     <command detect_errors="exit_code"><![CDATA[
         python -W ignore '$__tool_directory__/chembl.py'
--- a/test-data/in1.smi	Wed Apr 01 07:04:25 2020 -0400
+++ b/test-data/in1.smi	Tue May 19 05:34:34 2020 -0400
@@ -1,1 +1,1 @@
-CN1CCC[C@H]1c2cccnc2
+CN1CCC[C@H]1c2cccnc2	test