Mercurial > repos > fgiacomoni > hmdb_ms_search
annotate t/hmdb_managerTest.pl @ 12:2203cb539e53 draft
Master branch Updating - - Fxx
author | fgiacomoni |
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date | Tue, 02 Oct 2018 04:42:27 -0400 |
parents | 4eb2de7c24d1 |
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1 #! perl |
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2 use diagnostics; |
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3 use warnings; |
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4 no warnings qw/void/; |
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5 use strict; |
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6 no strict "refs" ; |
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7 use Test::More qw( no_plan ); |
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8 use Test::Exception; |
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9 use FindBin ; |
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10 use Carp ; |
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11 |
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12 ## Specific Modules |
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13 use lib $FindBin::Bin ; |
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14 my $binPath = $FindBin::Bin ; |
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15 use lib::hmdbTest qw( :ALL ) ; |
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16 |
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17 |
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18 ## To launch the right sequence : API, MAPPER, THREADER, ... |
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19 #my $sequence = 'MAPPER' ; |
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20 my $sequence = 'MAIN' ; |
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21 my $current_test = 1 ; |
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22 |
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23 if ($sequence eq "MAIN") { |
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24 print "\n\t\t\t\t * * * * * * \n" ; |
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25 print "\t * * * - - - Test HMDB Main script - - - * * * \n\n" ; |
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26 |
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27 |
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28 print "\n** Test $current_test extract_sub_mz_lists with an empty list of mzs **\n" ; $current_test++; |
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29 |
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30 throws_ok{ extract_sub_mz_listsTest([], 3)} '/The provided mzs list is empty/', 'Method \'extract_sub_mz_lists\' detects empty argument and died correctly' ; |
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31 |
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32 print "\n** Test $current_test extract_sub_mz_lists with a list of mzs and a limit of 3 **\n" ; $current_test++; |
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33 is_deeply( extract_sub_mz_listsTest( |
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34 ['175.01', '238.19', '420.16', '780.32', '956.25', '1100.45' ], 3), |
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35 [ [ '175.01', '238.19', '420.16' ], [ '780.32', '956.25', '1100.45' ] ], |
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36 'Method \'extract_sub_mz_lists\' works with a list and return a well formated list of sublist of mzs'); |
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37 |
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38 print "\n** Test $current_test prepare_multi_masses_query with an empty list of mzs **\n" ; $current_test++; |
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39 throws_ok{ prepare_multi_masses_queryTest([])} '/The input method parameter mass list is empty/', 'Method \'prepare_multi_masses_query\' detects empty argument and died correctly' ; |
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40 |
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41 print "\n** Test $current_test prepare_multi_masses_query with a list of mzs **\n" ; $current_test++; |
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42 is_deeply( prepare_multi_masses_queryTest( |
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43 ['175.01', '238.19', '420.16', '780.32', '956.25', '1100.45' ] ), |
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44 '175.01%0D%0A238.19%0D%0A420.16%0D%0A780.32%0D%0A956.25%0D%0A1100.45%0D%0A', |
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45 'Method \'prepare_multi_masses_query\' works with a list of and return a well formated string for hmdb querying'); |
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46 |
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47 print "\n** Test $current_test get_matches_from_hmdb_ua with a well-formated string of mzs **\n" ; $current_test++; |
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48 is_deeply( get_matches_from_hmdb_uaTest( |
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49 '175.01%0D%0A420.16%0D%0A780.32%0D%0A956.25%0D%0A1100.45%0D%0A', 0.001, 'positive'), |
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50 [ |
4
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51 'query_mass,compound_id,compound_name,kegg_id,formula,monoisotopic_mass,adduct,adduct_type,adduct_m/z,delta(ppm)', |
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52 # '175.01,HMDB60293,H2O3S2,113.94453531,M+IsoProp+H,+,175.009875,0.000125', |
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53 # '175.01,HMDB03745,C2H6O3S2,141.975835438,M+CH3OH+H,+,175.009324,0.000676', |
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54 # '175.01,HMDB31436,H4O4Si,95.987885149,M+DMSO+H,+,175.009105,0.000895', |
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55 # '175.01,HMDB33657,C17H10O6,310.047738052,M+H+K,+,175.009086,0.000914', |
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56 # '175.01,HMDB35230,C17H10O6,310.047738052,M+H+K,+,175.009086,0.000914', |
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57 # '420.16,HMDB60838,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,0.000683', |
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58 # '420.16,HMDB60836,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,0.000683' |
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59 ## Update format - 2018-01-19... HMDB V04 |
10 | 60 # '175.01,HMDB0060293,Hydroxidodioxidosulfidosulfate,C05529,H2O3S2,113.94453531,M+IsoProp+H,+,175.009875,1', |
61 # '175.01,HMDB0003745,Mesna,C03576,C2H6O3S2,141.975835438,M+CH3OH+H,+,175.009324,4', | |
62 # '175.01,HMDB0031436,Silicic acid,n/a,H4O4Si,95.987885149,M+DMSO+H,+,175.009105,5', | |
63 # '175.01,HMDB0033657,De-o-methylsterigmatocystin,C03683,C17H10O6,310.047738052,M+H+K,+,175.009086,5', | |
64 # '175.01,HMDB0035230,"6,7-Dihydroxy-3-(4-hydroxyphenyl)furo[3,2-b]chromen-2-one",n/a,C17H10O6,310.047738052,M+H+K,+,175.009086,5', | |
65 # '420.16,HMDB0060838,"4-hydroxy-5-[(4-{2-[(5-hydroxy-1,2-dihydropyridin-2-ylidene)amino]ethoxy}phenyl)methyl]-2,5-dihydro-1,3-thiazol-2-one",n/a,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,2', | |
66 # '420.16,HMDB0060836,N-Desmethyl O-hydroxyrosiglitazone,n/a,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,2', | |
67 ## Update results - 2018-09-20... HMDBv4 | |
68 #'query_mass,compound_id,compound_name,kegg_id,formula,monoisotopic_mass,adduct,adduct_type,adduct_m/z,delta(ppm)', | |
69 '175.01,HMDB0149376,"2-{[5,6-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3-(sulfooxy)butanedioic acid",n/a,C19H16O14S,500.026076369,M+2H+Na,+,175.009949,0', | |
70 '175.01,HMDB0149375,"2-({5,6-dihydroxy-4-oxo-3-[4-(sulfooxy)phenyl]-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3-hydroxybutanedioic acid",n/a,C19H16O14S,500.026076369,M+2H+Na,+,175.009949,0', | |
71 '175.01,HMDB0149419,"2-{[5,8-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3-(sulfooxy)butanedioic acid",n/a,C19H16O14S,500.026076369,M+2H+Na,+,175.009949,0', | |
72 '175.01,HMDB0149418,"2-({5,8-dihydroxy-4-oxo-3-[4-(sulfooxy)phenyl]-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3-hydroxybutanedioic acid",n/a,C19H16O14S,500.026076369,M+2H+Na,+,175.009949,0', | |
73 '175.01,HMDB0149392,"2-{[3-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3-(sulfooxy)butanedioic acid",n/a,C19H16O14S,500.026076369,M+2H+Na,+,175.009949,0', | |
74 '175.01,HMDB0149391,"2-hydroxy-3-({5-hydroxy-3-[4-hydroxy-3-(sulfooxy)phenyl]-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)butanedioic acid",n/a,C19H16O14S,500.026076369,M+2H+Na,+,175.009949,0', | |
75 '175.01,HMDB0000257,Thiosulfate,C05529,H2O3S2,113.94453531,M+IsoProp+H,+,175.009875,1', | |
76 '175.01,HMDB0060293,Thiosulfate,C05529,H2O3S2,113.94453531,M+IsoProp+H,+,175.009875,1', | |
77 '175.01,HMDB0141391,{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}oxidanesulfonic acid,n/a,C15H12O5S,304.04054466,M+2Na,+,175.00949,3', | |
78 '175.01,HMDB0141389,{3-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}oxidanesulfonic acid,n/a,C15H12O5S,304.04054466,M+2Na,+,175.00949,3', | |
79 '175.01,HMDB0135622,{4-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acid,n/a,C15H12O5S,304.04054466,M+2Na,+,175.00949,3', | |
80 '175.01,HMDB0135448,{3-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acid,n/a,C15H12O5S,304.04054466,M+2Na,+,175.00949,3', | |
81 '175.01,HMDB0240280,Methanesulfonic acid,C11145,CH4O3S,95.988114684,M+DMSO+H,+,175.009335,4', | |
82 '175.01,HMDB0003745,Coenzyme m,C03576,C2H6O3S2,141.975835438,M+CH3OH+H,+,175.009324,4', | |
83 '175.01,HMDB0142159,[2-hydroxy-2-(2-hydroxyphenyl)-1-phenylethoxy]sulfonic acid,n/a,C14H14O6S,310.051109345,M+H+K,+,175.010772,4', | |
84 '175.01,HMDB0142160,[2-hydroxy-1-(2-hydroxyphenyl)-2-phenylethoxy]sulfonic acid,n/a,C14H14O6S,310.051109345,M+H+K,+,175.010772,4', | |
85 '175.01,HMDB0142162,"[3-(1,2-dihydroxy-2-phenylethyl)phenyl]oxidanesulfonic acid",n/a,C14H14O6S,310.051109345,M+H+K,+,175.010772,4', | |
86 '175.01,HMDB0142166,"[4-(1,2-dihydroxy-2-phenylethyl)phenyl]oxidanesulfonic acid",n/a,C14H14O6S,310.051109345,M+H+K,+,175.010772,4', | |
87 '175.01,HMDB0142164,[2-hydroxy-1-(3-hydroxyphenyl)-2-phenylethoxy]sulfonic acid,n/a,C14H14O6S,310.051109345,M+H+K,+,175.010772,4', | |
88 '175.01,HMDB0142163,[2-hydroxy-2-(3-hydroxyphenyl)-1-phenylethoxy]sulfonic acid,n/a,C14H14O6S,310.051109345,M+H+K,+,175.010772,4', | |
89 '175.01,HMDB0142167,[2-hydroxy-2-(4-hydroxyphenyl)-1-phenylethoxy]sulfonic acid,n/a,C14H14O6S,310.051109345,M+H+K,+,175.010772,4', | |
90 '175.01,HMDB0142168,[2-hydroxy-1-(4-hydroxyphenyl)-2-phenylethoxy]sulfonic acid,n/a,C14H14O6S,310.051109345,M+H+K,+,175.010772,4', | |
91 '175.01,HMDB0129951,"{3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl}oxidanesulfonic acid",n/a,C14H14O6S,310.051109345,M+H+K,+,175.010772,4', | |
92 '175.01,HMDB0031436,Silicic acid,n/a,H4O4Si,95.987885149,M+DMSO+H,+,175.009105,5', | |
93 '175.01,HMDB0033657,"11,15-Dihydroxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1(12),2(9),4,10,14,16,18-heptaen-13-one",C03683,C17H10O6,310.047738052,M+H+K,+,175.009086,5', | |
94 '175.01,HMDB0035230,"6,7-Dihydroxy-3-(4-hydroxyphenyl)-2H-furo[3,2-b]chromen-2-one",n/a,C17H10O6,310.047738052,M+H+K,+,175.009086,5', | |
95 '175.01,HMDB0155176,5-Hydroxy-6-hydrouracil,n/a,C4H6N2O3,130.037842061,M+2Na-H,+,175.009002,6', | |
96 '420.16,HMDB0060838,N-Desmethyl-p-hydroxyrosiglitazone,n/a,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,2', | |
97 '420.16,HMDB0060836,N-Desmethyl-O-hydroxy rosiglitazone,n/a,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,2', | |
98 '420.16,HMDB0160148,"6-[(5-carboxy-3-methylpentanoyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",n/a,C13H20O10,336.105646844,M+IsoProp+Na+H,+,420.160757,2', | |
99 '420.16,HMDB0160149,"6-[(5-carboxy-4-methylpentanoyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",n/a,C13H20O10,336.105646844,M+IsoProp+Na+H,+,420.160757,2', | |
100 '420.16,HMDB0165020,"6-{[2-(acetyloxy)-3-methylbutanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid",n/a,C13H20O10,336.105646844,M+IsoProp+Na+H,+,420.160757,2', | |
101 '420.16,HMDB0175397,"6-{[3-(acetyloxy)-3-methylbutanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid",n/a,C13H20O10,336.105646844,M+IsoProp+Na+H,+,420.160757,2', | |
102 '420.16,HMDB0184353,"6-[(4-carboxy-3,3-dimethylbutanoyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",n/a,C13H20O10,336.105646844,M+IsoProp+Na+H,+,420.160757,2' | |
1
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103 ], |
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104 'Method \'get_matches_from_hmdb_ua\' works with a well-formated string of mzs and return a complete csv from hmdb'); |
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105 |
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106 print "\n** Test $current_test test_matches_from_hmdb_ua to get hmdb status **\n" ; $current_test++; |
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107 is_deeply (test_matches_from_hmdb_uaTest (), |
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108 \'200', |
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109 'The HMDB server is available: returns successful HTTP requests' ) ; |
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110 |
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111 print "\n** Test $current_test check_state_from_hmdb_ua to manage script execution with the hmdb server status **\n" ; $current_test++; |
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112 is_deeply (check_state_from_hmdb_uaTest (\'200'), |
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113 1, |
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114 'The status 200 returns no error/warn' ) ; |
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115 |
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116 print "\n** Test $current_test prepare_multi_masses_query with an empty list of mzs **\n" ; $current_test++; |
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117 throws_ok{ check_state_from_hmdb_uaTest(\'504')} |
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118 '/Gateway Timeout: The HMDB server was acting as a gateway or proxy and did not receive a timely response from the upstream server/', |
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119 'Method \'check_state_from_hmdb_ua\' detects HTTP error code returned by HMDB and died correctly' ; |
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120 |
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121 print "\n** Test $current_test parse_hmdb_csv_results with the correct inputs for hmdb outputs parsing (csv format) **\n" ; $current_test++; |
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122 is_deeply ( parse_hmdb_csv_resultsTest ( |
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123 [ |
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124 'query_mass,compound_id,compound_name,kegg_id,formula,monoisotopic_mass,adduct,adduct_type,adduct_m/z,delta(ppm)', |
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125 # '175.01,HMDB60293,H2O3S2,113.94453531,M+IsoProp+H,+,175.009875,0.000125', |
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126 # '175.01,HMDB03745,C2H6O3S2,141.975835438,M+CH3OH+H,+,175.009324,0.000676', |
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127 # '175.01,HMDB31436,H4O4Si,95.987885149,M+DMSO+H,+,175.009105,0.000895', |
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128 # '175.01,HMDB33657,C17H10O6,310.047738052,M+H+K,+,175.009086,0.000914', |
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129 # '175.01,HMDB35230,C17H10O6,310.047738052,M+H+K,+,175.009086,0.000914', |
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130 # '420.16,HMDB60838,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,0.000683', |
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131 # '420.16,HMDB60836,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,0.000683' |
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132 ## Update format - 2018-01-19... HMDB V04 |
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133 '175.01,HMDB0060293,Hydroxidodioxidosulfidosulfate,C05529,H2O3S2,113.94453531,M+IsoProp+H,+,175.009875,1', |
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134 '175.01,HMDB0003745,Mesna,C03576,C2H6O3S2,141.975835438,M+CH3OH+H,+,175.009324,4', |
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135 '175.01,HMDB0031436,Silicic acid,n/a,H4O4Si,95.987885149,M+DMSO+H,+,175.009105,5', |
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136 '175.01,HMDB0033657,De-o-methylsterigmatocystin,C03683,C17H10O6,310.047738052,M+H+K,+,175.009086,5', |
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137 '175.01,HMDB0035230,"6,7-Dihydroxy-3-(4-hydroxyphenyl)furo[3,2-b]chromen-2-one",n/a,C17H10O6,310.047738052,M+H+K,+,175.009086,5', |
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138 '420.16,HMDB0060838,"4-hydroxy-5-[(4-{2-[(5-hydroxy-1,2-dihydropyridin-2-ylidene)amino]ethoxy}phenyl)methyl]-2,5-dihydro-1,3-thiazol-2-one",n/a,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,2', |
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139 '420.16,HMDB0060836,N-Desmethyl O-hydroxyrosiglitazone,n/a,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,2', |
1
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140 ], |
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141 ['175.01', '238.19', '420.16'], |
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142 10 |
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143 ), |
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144 [ |
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145 [ |
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146 { 'ENTRY_CPD_MZ' => '113.94453531', 'ENTRY_ENTRY_ID' => 'HMDB0060293', 'ENTRY_FORMULA' => 'H2O3S2', 'ENTRY_ADDUCT_MZ' => '175.009875', 'ENTRY_DELTA' => '1', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_ADDUCT' => 'M+IsoProp+H' }, |
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147 {'ENTRY_DELTA' => '4','ENTRY_ADDUCT_TYPE' => '+','ENTRY_ADDUCT' => 'M+CH3OH+H','ENTRY_CPD_MZ' => '141.975835438','ENTRY_ENTRY_ID' => 'HMDB0003745','ENTRY_FORMULA' => 'C2H6O3S2','ENTRY_ADDUCT_MZ' => '175.009324'}, |
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148 {'ENTRY_ENTRY_ID' => 'HMDB0031436','ENTRY_CPD_MZ' => '95.987885149','ENTRY_ADDUCT_MZ' => '175.009105','ENTRY_FORMULA' => 'H4O4Si','ENTRY_DELTA' => '5','ENTRY_ADDUCT_TYPE' => '+','ENTRY_ADDUCT' => 'M+DMSO+H'}, |
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149 {'ENTRY_ADDUCT_MZ' => '175.009086','ENTRY_FORMULA' => 'C17H10O6','ENTRY_ENTRY_ID' => 'HMDB0033657','ENTRY_CPD_MZ' => '310.047738052','ENTRY_ADDUCT' => 'M+H+K','ENTRY_ADDUCT_TYPE' => '+','ENTRY_DELTA' => '5'}, |
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150 {'ENTRY_ADDUCT_MZ' => '175.009086','ENTRY_FORMULA' => 'C17H10O6','ENTRY_ENTRY_ID' => 'HMDB0035230','ENTRY_CPD_MZ' => '310.047738052','ENTRY_ADDUCT_TYPE' => '+','ENTRY_ADDUCT' => 'M+H+K','ENTRY_DELTA' => '5'} |
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151 ], |
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152 [], |
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153 [ |
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154 {'ENTRY_FORMULA' => 'C17H17N3O4S','ENTRY_ADDUCT_MZ' => '420.159317','ENTRY_CPD_MZ' => '359.093976737','ENTRY_ENTRY_ID' => 'HMDB0060838','ENTRY_ADDUCT' => 'M+IsoProp+H','ENTRY_ADDUCT_TYPE' => '+','ENTRY_DELTA' => '2'}, |
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155 {'ENTRY_DELTA' => '2','ENTRY_ADDUCT_TYPE' => '+','ENTRY_ADDUCT' => 'M+IsoProp+H','ENTRY_ENTRY_ID' => 'HMDB0060836','ENTRY_CPD_MZ' => '359.093976737','ENTRY_ADDUCT_MZ' => '420.159317','ENTRY_FORMULA' => 'C17H17N3O4S'} |
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156 ] |
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157 ], |
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158 'Method \'parse_hmdb_csv_results\' works with a well-formated csv output and returns a a well formated array' ) ; |
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159 |
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160 print "\n** Test $current_test parse_hmdb_csv_results with a void hmdb output and a list of mzs **\n" ; $current_test++; |
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161 is_deeply ( parse_hmdb_csv_resultsTest ( [], ['175.01', '238.19', '420.16'] ), |
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162 [ [], [], [] ], |
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163 'Method \'parse_hmdb_csv_results\' works with a empty csv output and returns an empty but well formatted array' ) ; |
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164 |
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165 print "\n** Test $current_test parse_hmdb_csv_results with a void hmdb output and a void mz list **\n" ; $current_test++; |
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166 is_deeply ( parse_hmdb_csv_resultsTest ( [], [] ), |
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167 [], |
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168 'Method \'parse_hmdb_csv_results\' works with a empty csv output/mz list and returns an empty but well formatted array' ) ; |
9 | 169 |
170 ## Other example... from mz 265.0567515 | |
171 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++; | |
172 is_deeply ( parse_hmdb_csv_resultsTest ( | |
173 [ | |
174 'query_mass,compound_id,compound_name,kegg_id,formula,monoisotopic_mass,adduct,adduct_type,adduct_m/z,delta(ppm)', | |
175 '265.0567515,HMDB0059667,3-Methylsulfolene,n/a,C5H8O2S,132.02450019,2M+H,+,265.056276,2', | |
176 '265.0567515,HMDB0038767,Camelliaside b,n/a,C32H38O19,726.200729034,M+3Na,+,265.056128,2', | |
177 '265.0567515,HMDB0039759,Kaempferol 3-(2g-apiosylrobinobioside),n/a,C32H38O19,726.200729034,M+3Na,+,265.056128,2', | |
178 '265.0567515,HMDB0040875,Isoschaftoside 4\'-glucoside,n/a,C32H38O19,726.200729034,M+3Na,+,265.056128,2', | |
179 '265.0567515,HMDB0040878,Schaftoside 4\'-glucoside,n/a,C32H38O19,726.200729034,M+3Na,+,265.056128,2', | |
180 '265.0567515,HMDB0059600,erythro-5-Phosphonooxy-L-lysine,C03366,C6H15N2O6P,242.066772734,M+Na,+,265.055991,3', | |
181 '265.0567515,HMDB0061174,"2,4-Imidazolidinedione, 3-ethyl-5-(4-hydroxyphenyl)-",n/a,C11H12N2O3,220.08479226,M+2Na-H,+,265.055952,3', | |
182 '265.0567515,HMDB0015571,Oxitriptan,C00643,C11H12N2O3,220.08479226,M+2Na-H,+,265.055952,3', | |
183 '265.0567515,HMDB0000472,5-hydroxy-l-tryptophan,C01017,C11H12N2O3,220.08479226,M+2Na-H,+,265.055952,3', | |
184 '265.0567515,HMDB0030584,Silidianin,n/a,C25H24O10,484.136946988,M+2Na,+,265.057691,4', | |
185 ], | |
186 ['265.0567515'], | |
187 5 | |
188 ), | |
189 [ | |
190 [ | |
191 { | |
192 'ENTRY_DELTA' => '2', | |
193 'ENTRY_FORMULA' => 'C5H8O2S', | |
194 'ENTRY_ENTRY_ID' => 'HMDB0059667', | |
195 'ENTRY_ADDUCT_MZ' => '265.056276', | |
196 'ENTRY_ADDUCT_TYPE' => '+', | |
197 'ENTRY_CPD_MZ' => '132.02450019', | |
198 'ENTRY_ADDUCT' => '2M+H' | |
199 }, | |
200 { | |
201 'ENTRY_ADDUCT_MZ' => '265.056128', | |
202 'ENTRY_ENTRY_ID' => 'HMDB0038767', | |
203 'ENTRY_ADDUCT_TYPE' => '+', | |
204 'ENTRY_CPD_MZ' => '726.200729034', | |
205 'ENTRY_ADDUCT' => 'M+3Na', | |
206 'ENTRY_DELTA' => '2', | |
207 'ENTRY_FORMULA' => 'C32H38O19' | |
208 }, | |
209 { | |
210 'ENTRY_DELTA' => '2', | |
211 'ENTRY_FORMULA' => 'C32H38O19', | |
212 'ENTRY_ENTRY_ID' => 'HMDB0039759', | |
213 'ENTRY_ADDUCT_MZ' => '265.056128', | |
214 'ENTRY_ADDUCT_TYPE' => '+', | |
215 'ENTRY_CPD_MZ' => '726.200729034', | |
216 'ENTRY_ADDUCT' => 'M+3Na' | |
217 }, | |
218 { | |
219 'ENTRY_FORMULA' => 'C32H38O19', | |
220 'ENTRY_DELTA' => '2', | |
221 'ENTRY_ADDUCT_TYPE' => '+', | |
222 'ENTRY_ADDUCT_MZ' => '265.056128', | |
223 'ENTRY_ENTRY_ID' => 'HMDB0040875', | |
224 'ENTRY_CPD_MZ' => '726.200729034', | |
225 'ENTRY_ADDUCT' => 'M+3Na' | |
226 }, | |
227 { | |
228 'ENTRY_ADDUCT_TYPE' => '+', | |
229 'ENTRY_ENTRY_ID' => 'HMDB0040878', | |
230 'ENTRY_ADDUCT_MZ' => '265.056128', | |
231 'ENTRY_ADDUCT' => 'M+3Na', | |
232 'ENTRY_CPD_MZ' => '726.200729034', | |
233 'ENTRY_FORMULA' => 'C32H38O19', | |
234 'ENTRY_DELTA' => '2' | |
235 } | |
236 ] | |
237 ], | |
238 'Method \'parse_hmdb_csv_results\' works with a well-formated csv output and returns a a well formated array' ) ; | |
239 | |
240 | |
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259 ## END of the script |