Mercurial > repos > fgiacomoni > hmdb_ms_search
comparison t/hmdb_managerTest.pl @ 9:c32280662103 draft
Master branch Updating - - Fxx
author | fgiacomoni |
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date | Wed, 19 Sep 2018 11:09:30 -0400 |
parents | 6091a80df951 |
children | 4eb2de7c24d1 |
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8:97788e4bf3fc | 9:c32280662103 |
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128 | 128 |
129 print "\n** Test $current_test parse_hmdb_csv_results with a void hmdb output and a void mz list **\n" ; $current_test++; | 129 print "\n** Test $current_test parse_hmdb_csv_results with a void hmdb output and a void mz list **\n" ; $current_test++; |
130 is_deeply ( parse_hmdb_csv_resultsTest ( [], [] ), | 130 is_deeply ( parse_hmdb_csv_resultsTest ( [], [] ), |
131 [], | 131 [], |
132 'Method \'parse_hmdb_csv_results\' works with a empty csv output/mz list and returns an empty but well formatted array' ) ; | 132 'Method \'parse_hmdb_csv_results\' works with a empty csv output/mz list and returns an empty but well formatted array' ) ; |
133 | |
134 ## Other example... from mz 265.0567515 | |
135 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++; | |
136 is_deeply ( parse_hmdb_csv_resultsTest ( | |
137 [ | |
138 'query_mass,compound_id,compound_name,kegg_id,formula,monoisotopic_mass,adduct,adduct_type,adduct_m/z,delta(ppm)', | |
139 '265.0567515,HMDB0059667,3-Methylsulfolene,n/a,C5H8O2S,132.02450019,2M+H,+,265.056276,2', | |
140 '265.0567515,HMDB0038767,Camelliaside b,n/a,C32H38O19,726.200729034,M+3Na,+,265.056128,2', | |
141 '265.0567515,HMDB0039759,Kaempferol 3-(2g-apiosylrobinobioside),n/a,C32H38O19,726.200729034,M+3Na,+,265.056128,2', | |
142 '265.0567515,HMDB0040875,Isoschaftoside 4\'-glucoside,n/a,C32H38O19,726.200729034,M+3Na,+,265.056128,2', | |
143 '265.0567515,HMDB0040878,Schaftoside 4\'-glucoside,n/a,C32H38O19,726.200729034,M+3Na,+,265.056128,2', | |
144 '265.0567515,HMDB0059600,erythro-5-Phosphonooxy-L-lysine,C03366,C6H15N2O6P,242.066772734,M+Na,+,265.055991,3', | |
145 '265.0567515,HMDB0061174,"2,4-Imidazolidinedione, 3-ethyl-5-(4-hydroxyphenyl)-",n/a,C11H12N2O3,220.08479226,M+2Na-H,+,265.055952,3', | |
146 '265.0567515,HMDB0015571,Oxitriptan,C00643,C11H12N2O3,220.08479226,M+2Na-H,+,265.055952,3', | |
147 '265.0567515,HMDB0000472,5-hydroxy-l-tryptophan,C01017,C11H12N2O3,220.08479226,M+2Na-H,+,265.055952,3', | |
148 '265.0567515,HMDB0030584,Silidianin,n/a,C25H24O10,484.136946988,M+2Na,+,265.057691,4', | |
149 ], | |
150 ['265.0567515'], | |
151 5 | |
152 ), | |
153 [ | |
154 [ | |
155 { | |
156 'ENTRY_DELTA' => '2', | |
157 'ENTRY_FORMULA' => 'C5H8O2S', | |
158 'ENTRY_ENTRY_ID' => 'HMDB0059667', | |
159 'ENTRY_ADDUCT_MZ' => '265.056276', | |
160 'ENTRY_ADDUCT_TYPE' => '+', | |
161 'ENTRY_CPD_MZ' => '132.02450019', | |
162 'ENTRY_ADDUCT' => '2M+H' | |
163 }, | |
164 { | |
165 'ENTRY_ADDUCT_MZ' => '265.056128', | |
166 'ENTRY_ENTRY_ID' => 'HMDB0038767', | |
167 'ENTRY_ADDUCT_TYPE' => '+', | |
168 'ENTRY_CPD_MZ' => '726.200729034', | |
169 'ENTRY_ADDUCT' => 'M+3Na', | |
170 'ENTRY_DELTA' => '2', | |
171 'ENTRY_FORMULA' => 'C32H38O19' | |
172 }, | |
173 { | |
174 'ENTRY_DELTA' => '2', | |
175 'ENTRY_FORMULA' => 'C32H38O19', | |
176 'ENTRY_ENTRY_ID' => 'HMDB0039759', | |
177 'ENTRY_ADDUCT_MZ' => '265.056128', | |
178 'ENTRY_ADDUCT_TYPE' => '+', | |
179 'ENTRY_CPD_MZ' => '726.200729034', | |
180 'ENTRY_ADDUCT' => 'M+3Na' | |
181 }, | |
182 { | |
183 'ENTRY_FORMULA' => 'C32H38O19', | |
184 'ENTRY_DELTA' => '2', | |
185 'ENTRY_ADDUCT_TYPE' => '+', | |
186 'ENTRY_ADDUCT_MZ' => '265.056128', | |
187 'ENTRY_ENTRY_ID' => 'HMDB0040875', | |
188 'ENTRY_CPD_MZ' => '726.200729034', | |
189 'ENTRY_ADDUCT' => 'M+3Na' | |
190 }, | |
191 { | |
192 'ENTRY_ADDUCT_TYPE' => '+', | |
193 'ENTRY_ENTRY_ID' => 'HMDB0040878', | |
194 'ENTRY_ADDUCT_MZ' => '265.056128', | |
195 'ENTRY_ADDUCT' => 'M+3Na', | |
196 'ENTRY_CPD_MZ' => '726.200729034', | |
197 'ENTRY_FORMULA' => 'C32H38O19', | |
198 'ENTRY_DELTA' => '2' | |
199 } | |
200 ] | |
201 ], | |
202 'Method \'parse_hmdb_csv_results\' works with a well-formated csv output and returns a a well formated array' ) ; | |
203 | |
204 | |
133 } | 205 } |
134 | 206 |
135 | 207 |
136 | 208 |
137 | 209 |