# HG changeset patch
# User tomnl
# Date 1560950555 14400
# Node ID 736f8fd48db2a940f9b63df201fffdd5d6fd4406
# Parent  a4801f212cdf9ff7e19edc2512819ccd5cdf5742
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a1a069e7537aa4594974c74a08fb6e81e527203d

diff -r a4801f212cdf -r 736f8fd48db2 test-data/combineAnnotations_combined_annotations.sqlite
Binary file test-data/combineAnnotations_combined_annotations.sqlite has changed
diff -r a4801f212cdf -r 736f8fd48db2 test-data/combineAnnotations_input_sirus_csifingerid.tsv
--- a/test-data/combineAnnotations_input_sirus_csifingerid.tsv	Tue Jun 18 14:34:36 2019 -0400
+++ b/test-data/combineAnnotations_input_sirus_csifingerid.tsv	Wed Jun 19 09:22:35 2019 -0400
@@ -1,3 +1,3 @@
-UID	grpid	InChIkey2D	InChI	molecularFormula	Rank	Score	Name	smiles	xlogp	pubchemids	links
+UID	grpid	inchikey2D	InChI	molecularFormula	Rank	Score	Name	smiles	xlogp	pubchemids	links
 2	1	RWRDLPDLKQPQOW	InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2	C4H9N	1	-136.145462142446	Azolidine	C1CCNC1		31268;3613359;11062297;12196044;12196046;12196049;12196050;18440991;20463768;53660610;57608708;57608709;57608710;57750053;60135501;90927493;91312985	HMDB:(31641);Natural Products:(UNPD154562);CHEBI:(33135 52145);HSDB:(123-75-1);Plantcyc:(PYRROLIDINE);Biocyc:(PYRROLIDINE)
 9	2	IAZDPXIOMUYVGZ	InChI=1S/C2H6OS/c1-4(2)3/h1-2H3	C2H6OS	1	-86.7917484507212	Demasorb	CS(=O)C		679;75151;10103116;12206145;12264368;18594457;20151975;21022526;22345572;57247813;71309204;76973052;90811807;90817578	HMDB:(2151);Natural Products:(UNPD148866);CHEBI:(28262);Maconda:(CON00016);HSDB:(67-68-5);KEGG:(C11143);Plantcyc:(DMSO);Biocyc:(DOH-ISO-VAL DMSO)
diff -r a4801f212cdf -r 736f8fd48db2 test-data/createDatabase_output.sqlite
Binary file test-data/createDatabase_output.sqlite has changed
diff -r a4801f212cdf -r 736f8fd48db2 test-data/createDatabase_output_eic.sqlite
Binary file test-data/createDatabase_output_eic.sqlite has changed