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1 parent 9fc5696 commit 18dbed1Copy full SHA for 18dbed1
test_sdf_read.sh
@@ -1,8 +1,9 @@
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#!/bin/bash
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-#set -x # DEBUG
+set -x # DEBUG
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# check we parse correctly 10 3D molecules in a .sdf file
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rm -f data/chembl30_10mols.txt.curr
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-./sdf_read data/chembl30_10mols.sdf > data/chembl30_10mols.txt.curr
+_build/default/src/sdf_read.exe data/chembl30_10mols.sdf \
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+ > data/chembl30_10mols.txt.curr
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diff data/chembl30_10mols.txt.ref data/chembl30_10mols.txt.curr
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