# HG changeset patch # User bgruening # Date 1557249919 14400 # Node ID 1abb6b6d959834c600b75e4ba2f4e34f14f0625c # Parent 437dbc3aab49485456c0e6362eae97bb623e85dc planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit ed9b6859de648aa5f7cde483732f5df20aaff90e diff -r 437dbc3aab49 -r 1abb6b6d9598 macros.xml --- a/macros.xml Mon Sep 03 16:37:13 2018 -0400 +++ b/macros.xml Tue May 07 13:25:19 2019 -0400 @@ -1,9 +1,10 @@ <macros> - <token name="@VERSION@">2.4.1</token> + <token name="@VERSION@">2.4.2</token> <xml name="requirements"> <requirements> <requirement type="package" version="2.4.1">openbabel</requirement> + <requirement type="package" version="3">python</requirement> <yield /> </requirements> </xml> @@ -37,6 +38,3 @@ </citations> </xml> </macros> - - - diff -r 437dbc3aab49 -r 1abb6b6d9598 ob_addh.xml --- a/ob_addh.xml Mon Sep 03 16:37:13 2018 -0400 +++ b/ob_addh.xml Tue May 07 13:25:19 2019 -0400 @@ -17,7 +17,7 @@ </command> <inputs> <expand macro="infile_all_types"/> - <param name="polar" type="boolean" truevalue="--polar" falsevalue="" label="Add hydrogens to polar atoms only"/> + <param name="polar" type="boolean" truevalue="--polar" falsevalue="" label="Add hydrogens to polar atoms only (i.e. not to carbon atoms)"/> <param name="pH_value" type="float" value="7.4" min="0" max="14" label="Specify pH value"/> </inputs> <outputs> diff -r 437dbc3aab49 -r 1abb6b6d9598 test-data/2_mol.dat --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/2_mol.dat Tue May 07 13:25:19 2019 -0400 @@ -0,0 +1,2 @@ +CC(=O)OC1=CC=CC=C1C(=O)[O-] +CC(=O)OC1=CC=CC=C1C(=O)[O-] diff -r 437dbc3aab49 -r 1abb6b6d9598 test-data/CO.smarts --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/CO.smarts Tue May 07 13:25:19 2019 -0400 @@ -0,0 +1,1 @@ +CO