| Previous changeset 3:8b6ba267714b (2020-04-01) Next changeset 5:1ade252ebe08 (2020-07-28) |
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Commit message:
"planemo upload for repository https://github.com/chembl/chembl_webresource_client commit f5c316339ed36a0469f4862d00fa0e5cafebc041" |
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modified:
chembl.py chembl.xml test-data/in1.smi |
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| diff -r 8b6ba267714b -r 59eea7d0d720 chembl.py --- a/chembl.py Wed Apr 01 07:04:25 2020 -0400 +++ b/chembl.py Tue May 19 05:34:34 2020 -0400 |
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| @@ -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): """ |
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| diff -r 8b6ba267714b -r 59eea7d0d720 chembl.xml --- a/chembl.xml Wed Apr 01 07:04:25 2020 -0400 +++ b/chembl.xml Tue May 19 05:34:34 2020 -0400 |
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| @@ -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' |
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| diff -r 8b6ba267714b -r 59eea7d0d720 test-data/in1.smi --- 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 |
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| @@ -1,1 +1,1 @@ -CN1CCC[C@H]1c2cccnc2 +CN1CCC[C@H]1c2cccnc2 test |