Mercurial > repos > fgiacomoni > hmdb_ms_search

annotate t/hmdb_managerTest.pl @ 27:144e4a8ad000 draft

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master branch Updating with tag :CI_COMMIT_TAG - - Fxx
author fgiacomoni
date Mon, 06 Nov 2023 17:32:31 +0000
parents 2d8a310e86ce
children
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1
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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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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
1
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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( getMatchesFromHmdb5WithUATest(
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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 [
23
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51 'query_mass,compound_id,compound_name,formula,monoisotopic_mass,adduct,adduct_type,adduct_m/z,"delta(ppm),",ccs_value',
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52 '175.01,HMDB0259477,"S-(N,N-Diethyldithiocarbamoyl)-N-acetyl-L-cysteine",C10H18N2O3S3,310.04795597,M+H+K,+,175.009195,5,',
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53 '175.01,HMDB0258038,9-(Formyloxymethyl)-9H-fluorene-2-sulfonic acid,C15H12O5S,304.04054466,M+2Na,+,175.00949,3,',
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54 '175.01,HMDB0257737,"4,5-Dihydroxy-3-methyl-1H-imidazol-2-one",C4H6N2O3,130.037842061,M+2Na-H,+,175.009002,6,',
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55 '175.01,HMDB0240502,Dihydroresveratrol 4\'-sulfate,C14H14O6S,310.051109345,M+H+K,+,175.010772,4,',
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56 '175.01,HMDB0240500,Dihydroresveratrol 3-sulfate,C14H14O6S,310.051109345,M+H+K,+,175.010772,4,',
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57 '175.01,HMDB0246744,"5-Amino-1,3,4-thiadiazole-2-thiol",C2H3N3S2,132.976839457,M+ACN+H,+,175.010662,4,',
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58 '175.01,HMDB0252977,Phosphoaminophosphonic acid-guanylate ester,C10H17N6O13P3,522.006645625,M+3H,+,175.009491,3,',
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59 '175.01,HMDB0246800,5-Hydroxy-1-methylhydantoin,C4H6N2O3,130.037842061,M+2Na-H,+,175.009002,6,',
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60 '175.01,HMDB0258677,Tafamidis,C14H7Cl2NO3,306.980298509,M+ACN+2H,+,175.010699,4,',
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61 '175.01,HMDB0240280,Mesylate,CH4O3S,95.988114684,M+DMSO+H,+,175.009335,4,',
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62 '175.01,HMDB0000257,Thiosulfate,H2O3S2,113.94453531,M+IsoProp+H,+,175.009875,1,',
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63 '175.01,HMDB0035230,Aurantricholide B,C17H10O6,310.047738052,M+H+K,+,175.009086,5,',
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64 '175.01,HMDB0033657,De-O-methylsterigmatocystin,C17H10O6,310.047738052,M+H+K,+,175.009086,5,',
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65 '175.01,HMDB0003745,Mesna,C2H6O3S2,141.975835438,M+CH3OH+H,+,175.009324,4,',
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66 '420.16,HMDB0250452,Core oligosaccharide,C27H48O24,756.253552426,M+2ACN+2H,+,420.160599,1,',
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67 '420.16,HMDB0245742,"N-(6,8-Difluoro-2-methyl-4-quinolinyl)-N\'-[4-(dimethylamino)phenyl]urea",C19H18F2N4O,356.144867542,M+ACN+Na,+,420.160633,2,',
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68 '420.16,HMDB0256144,Pazopanib,C21H23N7O2S,437.163393705,M+H-H2O,+,420.160694,2,',
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69 '420.16,HMDB0060838,N-Desmethyl-p-hydroxyrosiglitazone,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,2,',
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70 '420.16,HMDB0060836,N-Desmethyl-O-hydroxy rosiglitazone,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,2,'
1
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71 ],
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72 'Method \'getMatchesFromHmdb5WithUA\' works again (API v5.0 compatible) with a well-formated string of mzs and return a complete csv from hmdb');
1
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73
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74 print "\n** Test $current_test test_matches_from_hmdb_ua to get hmdb status **\n" ; $current_test++;
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75 is_deeply (testMatchesFromHmdb5WithUATest (),
1
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76 \'200',
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77 'The HMDB server is available: returns successful HTTP requests' ) ;
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78
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79 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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80 is_deeply (check_state_from_hmdb_uaTest (\'200'),
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81 1,
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82 'The status 200 returns no error/warn' ) ;
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83
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84 print "\n** Test $current_test check_state_from_hmdb_ua to manage script execution with the hmdb server status **\n" ; $current_test++;
1
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85 throws_ok{ check_state_from_hmdb_uaTest(\'504')}
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86 qr/Gateway Timeout \(504\): The HMDB server was acting as a gateway or proxy and did not receive a timely response from the upstream server\. The Hmdb tool is stopped with error\./,
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87 'Method \'check_state_from_hmdb_ua\' detects HTTP error code returned by HMDB and died correctly' ;
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88
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89
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90 print "\n** Test $current_test parseHmdb5CSVResults (version 5.0) with the correct inputs for hmdb outputs parsing (csv format) **\n" ; $current_test++;
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91 is_deeply ( parseHmdb5CSVResultsTest (
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92 [
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93 'query_mass,compound_id,compound_name,formula,monoisotopic_mass,adduct,adduct_type,adduct_m/z,"delta(ppm),",ccs_value',
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94 '175.01,HMDB0259477,"S-(N,N-Diethyldithiocarbamoyl)-N-acetyl-L-cysteine",C10H18N2O3S3,310.04795597,M+H+K,+,175.009195,5,',
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95 '175.01,HMDB0258038,9-(Formyloxymethyl)-9H-fluorene-2-sulfonic acid,C15H12O5S,304.04054466,M+2Na,+,175.00949,3,',
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96 '175.01,HMDB0257737,"4,5-Dihydroxy-3-methyl-1H-imidazol-2-one",C4H6N2O3,130.037842061,M+2Na-H,+,175.009002,6,',
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97 '175.01,HMDB0240502,Dihydroresveratrol 4\'-sulfate,C14H14O6S,310.051109345,M+H+K,+,175.010772,4,',
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fgiacomoni
parents: 10
diff changeset
98 '175.01,HMDB0240500,Dihydroresveratrol 3-sulfate,C14H14O6S,310.051109345,M+H+K,+,175.010772,4,',
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fgiacomoni
parents: 10
diff changeset
99 '175.01,HMDB0246744,"5-Amino-1,3,4-thiadiazole-2-thiol",C2H3N3S2,132.976839457,M+ACN+H,+,175.010662,4,',
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fgiacomoni
parents: 10
diff changeset
100 '175.01,HMDB0252977,Phosphoaminophosphonic acid-guanylate ester,C10H17N6O13P3,522.006645625,M+3H,+,175.009491,3,',
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fgiacomoni
parents: 10
diff changeset
101 '175.01,HMDB0246800,5-Hydroxy-1-methylhydantoin,C4H6N2O3,130.037842061,M+2Na-H,+,175.009002,6,',
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fgiacomoni
parents: 10
diff changeset
102 '175.01,HMDB0258677,Tafamidis,C14H7Cl2NO3,306.980298509,M+ACN+2H,+,175.010699,4,',
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fgiacomoni
parents: 10
diff changeset
103 '175.01,HMDB0240280,Mesylate,CH4O3S,95.988114684,M+DMSO+H,+,175.009335,4,',
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fgiacomoni
parents: 10
diff changeset
104 '175.01,HMDB0000257,Thiosulfate,H2O3S2,113.94453531,M+IsoProp+H,+,175.009875,1,',
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fgiacomoni
parents: 10
diff changeset
105 '175.01,HMDB0035230,Aurantricholide B,C17H10O6,310.047738052,M+H+K,+,175.009086,5,',
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fgiacomoni
parents: 10
diff changeset
106 '175.01,HMDB0033657,De-O-methylsterigmatocystin,C17H10O6,310.047738052,M+H+K,+,175.009086,5,',
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fgiacomoni
parents: 10
diff changeset
107 '175.01,HMDB0003745,Mesna,C2H6O3S2,141.975835438,M+CH3OH+H,+,175.009324,4,',
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fgiacomoni
parents: 10
diff changeset
108 '420.16,HMDB0250452,Core oligosaccharide,C27H48O24,756.253552426,M+2ACN+2H,+,420.160599,1,',
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fgiacomoni
parents: 10
diff changeset
109 '420.16,HMDB0245742,"N-(6,8-Difluoro-2-methyl-4-quinolinyl)-N\'-[4-(dimethylamino)phenyl]urea",C19H18F2N4O,356.144867542,M+ACN+Na,+,420.160633,2,',
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fgiacomoni
parents: 10
diff changeset
110 '420.16,HMDB0256144,Pazopanib,C21H23N7O2S,437.163393705,M+H-H2O,+,420.160694,2,',
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fgiacomoni
parents: 10
diff changeset
111 '420.16,HMDB0060838,N-Desmethyl-p-hydroxyrosiglitazone,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,2,',
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fgiacomoni
parents: 10
diff changeset
112 '420.16,HMDB0060836,N-Desmethyl-O-hydroxy rosiglitazone,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,2,'
1
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113 ],
4
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114 ['175.01', '238.19', '420.16'],
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115 10
1
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116 ),
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117 [
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118 [
23
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119 { 'ENTRY_CPD_MZ' => '310.04795597', 'ENTRY_DELTA' => '5', 'ENTRY_FORMULA' => 'C10H18N2O3S3', 'ENTRY_ADDUCT' => 'M+H+K', 'ENTRY_ENTRY_NAME' => '"S-(N,N-Diethyldithiocarbamoyl)-N-acetyl-L-cysteine"', 'ENTRY_ENTRY_ID' => 'HMDB0259477', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_ADDUCT_MZ' => '175.009195' },
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120 { 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_ADDUCT_MZ' => '175.00949', 'ENTRY_ENTRY_ID' => 'HMDB0258038', 'ENTRY_ENTRY_NAME' => '9-(Formyloxymethyl)-9H-fluorene-2-sulfonic acid', 'ENTRY_FORMULA' => 'C15H12O5S', 'ENTRY_ADDUCT' => 'M+2Na', 'ENTRY_DELTA' => '3', 'ENTRY_CPD_MZ' => '304.04054466' },
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fgiacomoni
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121 { 'ENTRY_FORMULA' => 'C14H14O6S', 'ENTRY_ADDUCT' => 'M+H+K', 'ENTRY_ENTRY_NAME' => 'Dihydroresveratrol 4\'-sulfate', 'ENTRY_CPD_MZ' => '310.051109345', 'ENTRY_DELTA' => '4', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_ADDUCT_MZ' => '175.010772', 'ENTRY_ENTRY_ID' => 'HMDB0240502' },
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fgiacomoni
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122 { 'ENTRY_ADDUCT_MZ' => '175.010772', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_ENTRY_ID' => 'HMDB0240500', 'ENTRY_ADDUCT' => 'M+H+K', 'ENTRY_FORMULA' => 'C14H14O6S', 'ENTRY_ENTRY_NAME' => 'Dihydroresveratrol 3-sulfate', 'ENTRY_CPD_MZ' => '310.051109345', 'ENTRY_DELTA' => '4' },
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fgiacomoni
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123 { 'ENTRY_ENTRY_ID' => 'HMDB0246744', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_ADDUCT_MZ' => '175.010662', 'ENTRY_CPD_MZ' => '132.976839457', 'ENTRY_DELTA' => '4', 'ENTRY_ENTRY_NAME' => '"5-Amino-1,3,4-thiadiazole-2-thiol"', 'ENTRY_FORMULA' => 'C2H3N3S2', 'ENTRY_ADDUCT' => 'M+ACN+H' },
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124 { 'ENTRY_ENTRY_ID' => 'HMDB0252977', 'ENTRY_ADDUCT_MZ' => '175.009491', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_CPD_MZ' => '522.006645625', 'ENTRY_DELTA' => '3', 'ENTRY_ADDUCT' => 'M+3H', 'ENTRY_FORMULA' => 'C10H17N6O13P3', 'ENTRY_ENTRY_NAME' => 'Phosphoaminophosphonic acid-guanylate ester' },
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fgiacomoni
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125 { 'ENTRY_ENTRY_ID' => 'HMDB0258677', 'ENTRY_ADDUCT_MZ' => '175.010699', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_CPD_MZ' => '306.980298509', 'ENTRY_DELTA' => '4', 'ENTRY_ADDUCT' => 'M+ACN+2H', 'ENTRY_FORMULA' => 'C14H7Cl2NO3', 'ENTRY_ENTRY_NAME' => 'Tafamidis' },
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126 { 'ENTRY_ENTRY_ID' => 'HMDB0240280', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_ADDUCT_MZ' => '175.009335', 'ENTRY_DELTA' => '4', 'ENTRY_CPD_MZ' => '95.988114684', 'ENTRY_FORMULA' => 'CH4O3S', 'ENTRY_ADDUCT' => 'M+DMSO+H', 'ENTRY_ENTRY_NAME' => 'Mesylate' },
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127 { 'ENTRY_DELTA' => '1', 'ENTRY_CPD_MZ' => '113.94453531', 'ENTRY_FORMULA' => 'H2O3S2', 'ENTRY_ADDUCT' => 'M+IsoProp+H', 'ENTRY_ENTRY_NAME' => 'Thiosulfate', 'ENTRY_ENTRY_ID' => 'HMDB0000257', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_ADDUCT_MZ' => '175.009875' },
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128 { 'ENTRY_DELTA' => '5', 'ENTRY_CPD_MZ' => '310.047738052', 'ENTRY_ENTRY_NAME' => 'Aurantricholide B', 'ENTRY_FORMULA' => 'C17H10O6', 'ENTRY_ADDUCT' => 'M+H+K', 'ENTRY_ENTRY_ID' => 'HMDB0035230', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_ADDUCT_MZ' => '175.009086' }
1
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129 ],
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130 [],
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131 [
23
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132 { 'ENTRY_ADDUCT_MZ' => '420.160599', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_ENTRY_ID' => 'HMDB0250452', 'ENTRY_ADDUCT' => 'M+2ACN+2H', 'ENTRY_FORMULA' => 'C27H48O24', 'ENTRY_ENTRY_NAME' => 'Core oligosaccharide', 'ENTRY_CPD_MZ' => '756.253552426', 'ENTRY_DELTA' => '1' },
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133 { 'ENTRY_CPD_MZ' => '356.144867542', 'ENTRY_DELTA' => '2', 'ENTRY_ENTRY_NAME' => '"N-(6,8-Difluoro-2-methyl-4-quinolinyl)-N\'-[4-(dimethylamino)phenyl]urea"', 'ENTRY_FORMULA' => 'C19H18F2N4O', 'ENTRY_ADDUCT' => 'M+ACN+Na', 'ENTRY_ENTRY_ID' => 'HMDB0245742', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_ADDUCT_MZ' => '420.160633' },
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134 { 'ENTRY_ADDUCT_MZ' => '420.159317', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_ENTRY_ID' => 'HMDB0060838', 'ENTRY_ADDUCT' => 'M+IsoProp+H', 'ENTRY_FORMULA' => 'C17H17N3O4S', 'ENTRY_ENTRY_NAME' => 'N-Desmethyl-p-hydroxyrosiglitazone', 'ENTRY_CPD_MZ' => '359.093976737', 'ENTRY_DELTA' => '2' },
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fgiacomoni
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135 { 'ENTRY_ADDUCT_MZ' => '420.159317', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_ENTRY_ID' => 'HMDB0060836', 'ENTRY_ADDUCT' => 'M+IsoProp+H', 'ENTRY_FORMULA' => 'C17H17N3O4S', 'ENTRY_ENTRY_NAME' => 'N-Desmethyl-O-hydroxy rosiglitazone', 'ENTRY_DELTA' => '2', 'ENTRY_CPD_MZ' => '359.093976737' }
1
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136 ]
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137 ],
23
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138 'Method \'parseHmdb5CSVResults\' works with a well-formated csv output and returns a a well formated array' ) ;
1
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139
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140
23
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141 # 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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142 # is_deeply ( parse_hmdb_csv_resultsTest ( [], ['175.01', '238.19', '420.16'] ),
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143 # [ [], [], [] ],
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144 # 'Method \'parse_hmdb_csv_results\' works with a empty csv output and returns an empty but well formatted array' ) ;
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145 #
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146 # 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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147 # is_deeply ( parse_hmdb_csv_resultsTest ( [], [] ),
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148 # [],
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149 # 'Method \'parse_hmdb_csv_results\' works with a empty csv output/mz list and returns an empty but well formatted array' ) ;
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150 #
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151 # ## Other example... from mz 265.0567515
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152 # 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++;
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153 # is_deeply ( parse_hmdb_csv_resultsTest (
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154 # [
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155 # 'query_mass,compound_id,compound_name,kegg_id,formula,monoisotopic_mass,adduct,adduct_type,adduct_m/z,delta(ppm)',
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156 # '265.0567515,HMDB0059667,3-Methylsulfolene,n/a,C5H8O2S,132.02450019,2M+H,+,265.056276,2',
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fgiacomoni
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157 # '265.0567515,HMDB0038767,Camelliaside b,n/a,C32H38O19,726.200729034,M+3Na,+,265.056128,2',
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fgiacomoni
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158 # '265.0567515,HMDB0039759,Kaempferol 3-(2g-apiosylrobinobioside),n/a,C32H38O19,726.200729034,M+3Na,+,265.056128,2',
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fgiacomoni
parents: 10
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159 # '265.0567515,HMDB0040875,Isoschaftoside 4\'-glucoside,n/a,C32H38O19,726.200729034,M+3Na,+,265.056128,2',
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fgiacomoni
parents: 10
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160 # '265.0567515,HMDB0040878,Schaftoside 4\'-glucoside,n/a,C32H38O19,726.200729034,M+3Na,+,265.056128,2',
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fgiacomoni
parents: 10
diff changeset
161 # '265.0567515,HMDB0059600,erythro-5-Phosphonooxy-L-lysine,C03366,C6H15N2O6P,242.066772734,M+Na,+,265.055991,3',
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fgiacomoni
parents: 10
diff changeset
162 # '265.0567515,HMDB0061174,"2,4-Imidazolidinedione, 3-ethyl-5-(4-hydroxyphenyl)-",n/a,C11H12N2O3,220.08479226,M+2Na-H,+,265.055952,3',
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fgiacomoni
parents: 10
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163 # '265.0567515,HMDB0015571,Oxitriptan,C00643,C11H12N2O3,220.08479226,M+2Na-H,+,265.055952,3',
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fgiacomoni
parents: 10
diff changeset
164 # '265.0567515,HMDB0000472,5-hydroxy-l-tryptophan,C01017,C11H12N2O3,220.08479226,M+2Na-H,+,265.055952,3',
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fgiacomoni
parents: 10
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165 # '265.0567515,HMDB0030584,Silidianin,n/a,C25H24O10,484.136946988,M+2Na,+,265.057691,4',
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166 # ],
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167 # ['265.0567515'],
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168 # 5
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169 # ),
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170 # [
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171 # [
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172 # {
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173 # 'ENTRY_DELTA' => '2',
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174 # 'ENTRY_FORMULA' => 'C5H8O2S',
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175 # 'ENTRY_ENTRY_ID' => 'HMDB0059667',
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176 # 'ENTRY_ADDUCT_MZ' => '265.056276',
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177 # 'ENTRY_ADDUCT_TYPE' => '+',
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178 # 'ENTRY_CPD_MZ' => '132.02450019',
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179 # 'ENTRY_ADDUCT' => '2M+H'
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180 # },
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181 # {
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182 # 'ENTRY_ADDUCT_MZ' => '265.056128',
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183 # 'ENTRY_ENTRY_ID' => 'HMDB0038767',
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184 # 'ENTRY_ADDUCT_TYPE' => '+',
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185 # 'ENTRY_CPD_MZ' => '726.200729034',
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186 # 'ENTRY_ADDUCT' => 'M+3Na',
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187 # 'ENTRY_DELTA' => '2',
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188 # 'ENTRY_FORMULA' => 'C32H38O19'
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189 # },
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190 # {
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191 # 'ENTRY_DELTA' => '2',
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192 # 'ENTRY_FORMULA' => 'C32H38O19',
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193 # 'ENTRY_ENTRY_ID' => 'HMDB0039759',
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194 # 'ENTRY_ADDUCT_MZ' => '265.056128',
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195 # 'ENTRY_ADDUCT_TYPE' => '+',
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196 # 'ENTRY_CPD_MZ' => '726.200729034',
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197 # 'ENTRY_ADDUCT' => 'M+3Na'
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198 # },
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199 # {
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200 # 'ENTRY_FORMULA' => 'C32H38O19',
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201 # 'ENTRY_DELTA' => '2',
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202 # 'ENTRY_ADDUCT_TYPE' => '+',
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203 # 'ENTRY_ADDUCT_MZ' => '265.056128',
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204 # 'ENTRY_ENTRY_ID' => 'HMDB0040875',
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205 # 'ENTRY_CPD_MZ' => '726.200729034',
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206 # 'ENTRY_ADDUCT' => 'M+3Na'
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207 # },
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208 # {
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209 # 'ENTRY_ADDUCT_TYPE' => '+',
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210 # 'ENTRY_ENTRY_ID' => 'HMDB0040878',
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211 # 'ENTRY_ADDUCT_MZ' => '265.056128',
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212 # 'ENTRY_ADDUCT' => 'M+3Na',
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213 # 'ENTRY_CPD_MZ' => '726.200729034',
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214 # 'ENTRY_FORMULA' => 'C32H38O19',
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215 # 'ENTRY_DELTA' => '2'
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216 # }
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217 # ]
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218 # ],
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219 # 'Method \'parse_hmdb_csv_results\' works with a well-formated csv output and returns a a well formated array' ) ;
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220 #
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221 #
1
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222
23
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223 }
1
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224 ## END of the script