diff t/hmdb_managerTest.pl @ 9:c32280662103 draft

Master branch Updating - - Fxx

--- a/t/hmdb_managerTest.pl	Sat Jan 20 17:36:51 2018 -0500
+++ b/t/hmdb_managerTest.pl	Wed Sep 19 11:09:30 2018 -0400
@@ -130,6 +130,78 @@
 	is_deeply ( parse_hmdb_csv_resultsTest ( [], [] ),
 		[],
 		'Method \'parse_hmdb_csv_results\' works with a empty csv output/mz list and returns an empty but well formatted array' ) ;
+
+	## Other example... from mz 265.0567515
+	print "\n** Test $current_test parse_hmdb_csv_results with mz 265.0567515 and the correct inputs for hmdb outputs parsing (csv format) **\n" ; $current_test++;
+	is_deeply ( parse_hmdb_csv_resultsTest (
+		[
+        'query_mass,compound_id,compound_name,kegg_id,formula,monoisotopic_mass,adduct,adduct_type,adduct_m/z,delta(ppm)',
+		'265.0567515,HMDB0059667,3-Methylsulfolene,n/a,C5H8O2S,132.02450019,2M+H,+,265.056276,2',
+		'265.0567515,HMDB0038767,Camelliaside b,n/a,C32H38O19,726.200729034,M+3Na,+,265.056128,2',
+		'265.0567515,HMDB0039759,Kaempferol 3-(2g-apiosylrobinobioside),n/a,C32H38O19,726.200729034,M+3Na,+,265.056128,2',
+		'265.0567515,HMDB0040875,Isoschaftoside 4\'-glucoside,n/a,C32H38O19,726.200729034,M+3Na,+,265.056128,2',
+		'265.0567515,HMDB0040878,Schaftoside 4\'-glucoside,n/a,C32H38O19,726.200729034,M+3Na,+,265.056128,2',
+		'265.0567515,HMDB0059600,erythro-5-Phosphonooxy-L-lysine,C03366,C6H15N2O6P,242.066772734,M+Na,+,265.055991,3',
+		'265.0567515,HMDB0061174,"2,4-Imidazolidinedione, 3-ethyl-5-(4-hydroxyphenyl)-",n/a,C11H12N2O3,220.08479226,M+2Na-H,+,265.055952,3',
+		'265.0567515,HMDB0015571,Oxitriptan,C00643,C11H12N2O3,220.08479226,M+2Na-H,+,265.055952,3',
+		'265.0567515,HMDB0000472,5-hydroxy-l-tryptophan,C01017,C11H12N2O3,220.08479226,M+2Na-H,+,265.055952,3',
+		'265.0567515,HMDB0030584,Silidianin,n/a,C25H24O10,484.136946988,M+2Na,+,265.057691,4',
+        ],
+        ['265.0567515'],
+        5
+	),
+		[
+          [
+            {
+              'ENTRY_DELTA' => '2',
+              'ENTRY_FORMULA' => 'C5H8O2S',
+              'ENTRY_ENTRY_ID' => 'HMDB0059667',
+              'ENTRY_ADDUCT_MZ' => '265.056276',
+              'ENTRY_ADDUCT_TYPE' => '+',
+              'ENTRY_CPD_MZ' => '132.02450019',
+              'ENTRY_ADDUCT' => '2M+H'
+            },
+            {
+              'ENTRY_ADDUCT_MZ' => '265.056128',
+              'ENTRY_ENTRY_ID' => 'HMDB0038767',
+              'ENTRY_ADDUCT_TYPE' => '+',
+              'ENTRY_CPD_MZ' => '726.200729034',
+              'ENTRY_ADDUCT' => 'M+3Na',
+              'ENTRY_DELTA' => '2',
+              'ENTRY_FORMULA' => 'C32H38O19'
+            },
+            {
+              'ENTRY_DELTA' => '2',
+              'ENTRY_FORMULA' => 'C32H38O19',
+              'ENTRY_ENTRY_ID' => 'HMDB0039759',
+              'ENTRY_ADDUCT_MZ' => '265.056128',
+              'ENTRY_ADDUCT_TYPE' => '+',
+              'ENTRY_CPD_MZ' => '726.200729034',
+              'ENTRY_ADDUCT' => 'M+3Na'
+            },
+            {
+              'ENTRY_FORMULA' => 'C32H38O19',
+              'ENTRY_DELTA' => '2',
+              'ENTRY_ADDUCT_TYPE' => '+',
+              'ENTRY_ADDUCT_MZ' => '265.056128',
+              'ENTRY_ENTRY_ID' => 'HMDB0040875',
+              'ENTRY_CPD_MZ' => '726.200729034',
+              'ENTRY_ADDUCT' => 'M+3Na'
+            },
+            {
+              'ENTRY_ADDUCT_TYPE' => '+',
+              'ENTRY_ENTRY_ID' => 'HMDB0040878',
+              'ENTRY_ADDUCT_MZ' => '265.056128',
+              'ENTRY_ADDUCT' => 'M+3Na',
+              'ENTRY_CPD_MZ' => '726.200729034',
+              'ENTRY_FORMULA' => 'C32H38O19',
+              'ENTRY_DELTA' => '2'
+            }
+          ]
+        ],
+		'Method \'parse_hmdb_csv_results\' works with a well-formated csv output and returns a a well formated array' ) ;	
+		
+	
 }