annotate t/hmdb_managerTest.pl @ 20:b5a1d5e43685 draft

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author fgiacomoni
date Wed, 23 Jan 2019 07:49:34 -0500
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children 2d8a310e86ce
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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
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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
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60 # '175.01,HMDB0060293,Hydroxidodioxidosulfidosulfate,C05529,H2O3S2,113.94453531,M+IsoProp+H,+,175.009875,1',
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61 # '175.01,HMDB0003745,Mesna,C03576,C2H6O3S2,141.975835438,M+CH3OH+H,+,175.009324,4',
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62 # '175.01,HMDB0031436,Silicic acid,n/a,H4O4Si,95.987885149,M+DMSO+H,+,175.009105,5',
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63 # '175.01,HMDB0033657,De-o-methylsterigmatocystin,C03683,C17H10O6,310.047738052,M+H+K,+,175.009086,5',
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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',
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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',
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66 # '420.16,HMDB0060836,N-Desmethyl O-hydroxyrosiglitazone,n/a,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,2',
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67 ## Update results - 2018-09-20... HMDBv4
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68 #'query_mass,compound_id,compound_name,kegg_id,formula,monoisotopic_mass,adduct,adduct_type,adduct_m/z,delta(ppm)',
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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',
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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',
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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',
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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',
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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',
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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',
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75 '175.01,HMDB0000257,Thiosulfate,C05529,H2O3S2,113.94453531,M+IsoProp+H,+,175.009875,1',
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76 '175.01,HMDB0060293,Thiosulfate,C05529,H2O3S2,113.94453531,M+IsoProp+H,+,175.009875,1',
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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',
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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',
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79 '175.01,HMDB0135622,{4-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acid,n/a,C15H12O5S,304.04054466,M+2Na,+,175.00949,3',
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80 '175.01,HMDB0135448,{3-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acid,n/a,C15H12O5S,304.04054466,M+2Na,+,175.00949,3',
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81 '175.01,HMDB0240280,Methanesulfonic acid,C11145,CH4O3S,95.988114684,M+DMSO+H,+,175.009335,4',
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82 '175.01,HMDB0003745,Coenzyme m,C03576,C2H6O3S2,141.975835438,M+CH3OH+H,+,175.009324,4',
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83 '175.01,HMDB0142159,[2-hydroxy-2-(2-hydroxyphenyl)-1-phenylethoxy]sulfonic acid,n/a,C14H14O6S,310.051109345,M+H+K,+,175.010772,4',
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84 '175.01,HMDB0142160,[2-hydroxy-1-(2-hydroxyphenyl)-2-phenylethoxy]sulfonic acid,n/a,C14H14O6S,310.051109345,M+H+K,+,175.010772,4',
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85 '175.01,HMDB0142162,"[3-(1,2-dihydroxy-2-phenylethyl)phenyl]oxidanesulfonic acid",n/a,C14H14O6S,310.051109345,M+H+K,+,175.010772,4',
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86 '175.01,HMDB0142166,"[4-(1,2-dihydroxy-2-phenylethyl)phenyl]oxidanesulfonic acid",n/a,C14H14O6S,310.051109345,M+H+K,+,175.010772,4',
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87 '175.01,HMDB0142164,[2-hydroxy-1-(3-hydroxyphenyl)-2-phenylethoxy]sulfonic acid,n/a,C14H14O6S,310.051109345,M+H+K,+,175.010772,4',
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88 '175.01,HMDB0142163,[2-hydroxy-2-(3-hydroxyphenyl)-1-phenylethoxy]sulfonic acid,n/a,C14H14O6S,310.051109345,M+H+K,+,175.010772,4',
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89 '175.01,HMDB0142167,[2-hydroxy-2-(4-hydroxyphenyl)-1-phenylethoxy]sulfonic acid,n/a,C14H14O6S,310.051109345,M+H+K,+,175.010772,4',
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90 '175.01,HMDB0142168,[2-hydroxy-1-(4-hydroxyphenyl)-2-phenylethoxy]sulfonic acid,n/a,C14H14O6S,310.051109345,M+H+K,+,175.010772,4',
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91 '175.01,HMDB0129951,"{3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl}oxidanesulfonic acid",n/a,C14H14O6S,310.051109345,M+H+K,+,175.010772,4',
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92 '175.01,HMDB0031436,Silicic acid,n/a,H4O4Si,95.987885149,M+DMSO+H,+,175.009105,5',
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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',
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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',
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95 '175.01,HMDB0155176,5-Hydroxy-6-hydrouracil,n/a,C4H6N2O3,130.037842061,M+2Na-H,+,175.009002,6',
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96 '420.16,HMDB0060838,N-Desmethyl-p-hydroxyrosiglitazone,n/a,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,2',
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97 '420.16,HMDB0060836,N-Desmethyl-O-hydroxy rosiglitazone,n/a,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,2',
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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',
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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',
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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',
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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',
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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 [
4
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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 ],
4
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141 ['175.01', '238.19', '420.16'],
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142 10
1
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143 ),
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144 [
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145 [
4
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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'}
1
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151 ],
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152 [],
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153 [
4
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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'}
1
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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
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169
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170 ## Other example... from mz 265.0567515
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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++;
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172 is_deeply ( parse_hmdb_csv_resultsTest (
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173 [
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174 'query_mass,compound_id,compound_name,kegg_id,formula,monoisotopic_mass,adduct,adduct_type,adduct_m/z,delta(ppm)',
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175 '265.0567515,HMDB0059667,3-Methylsulfolene,n/a,C5H8O2S,132.02450019,2M+H,+,265.056276,2',
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176 '265.0567515,HMDB0038767,Camelliaside b,n/a,C32H38O19,726.200729034,M+3Na,+,265.056128,2',
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177 '265.0567515,HMDB0039759,Kaempferol 3-(2g-apiosylrobinobioside),n/a,C32H38O19,726.200729034,M+3Na,+,265.056128,2',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
178 '265.0567515,HMDB0040875,Isoschaftoside 4\'-glucoside,n/a,C32H38O19,726.200729034,M+3Na,+,265.056128,2',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
179 '265.0567515,HMDB0040878,Schaftoside 4\'-glucoside,n/a,C32H38O19,726.200729034,M+3Na,+,265.056128,2',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
180 '265.0567515,HMDB0059600,erythro-5-Phosphonooxy-L-lysine,C03366,C6H15N2O6P,242.066772734,M+Na,+,265.055991,3',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
181 '265.0567515,HMDB0061174,"2,4-Imidazolidinedione, 3-ethyl-5-(4-hydroxyphenyl)-",n/a,C11H12N2O3,220.08479226,M+2Na-H,+,265.055952,3',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
182 '265.0567515,HMDB0015571,Oxitriptan,C00643,C11H12N2O3,220.08479226,M+2Na-H,+,265.055952,3',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
183 '265.0567515,HMDB0000472,5-hydroxy-l-tryptophan,C01017,C11H12N2O3,220.08479226,M+2Na-H,+,265.055952,3',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
184 '265.0567515,HMDB0030584,Silidianin,n/a,C25H24O10,484.136946988,M+2Na,+,265.057691,4',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
185 ],
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fgiacomoni
parents: 4
diff changeset
186 ['265.0567515'],
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
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187 5
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
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188 ),
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fgiacomoni
parents: 4
diff changeset
189 [
c32280662103 Master branch Updating - - Fxx
fgiacomoni
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190 [
c32280662103 Master branch Updating - - Fxx
fgiacomoni
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191 {
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
192 'ENTRY_DELTA' => '2',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
193 'ENTRY_FORMULA' => 'C5H8O2S',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
194 'ENTRY_ENTRY_ID' => 'HMDB0059667',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
195 'ENTRY_ADDUCT_MZ' => '265.056276',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
196 'ENTRY_ADDUCT_TYPE' => '+',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
197 'ENTRY_CPD_MZ' => '132.02450019',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
198 'ENTRY_ADDUCT' => '2M+H'
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
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199 },
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
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200 {
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
201 'ENTRY_ADDUCT_MZ' => '265.056128',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
202 'ENTRY_ENTRY_ID' => 'HMDB0038767',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
203 'ENTRY_ADDUCT_TYPE' => '+',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
204 'ENTRY_CPD_MZ' => '726.200729034',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
205 'ENTRY_ADDUCT' => 'M+3Na',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
206 'ENTRY_DELTA' => '2',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
207 'ENTRY_FORMULA' => 'C32H38O19'
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
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208 },
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
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209 {
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
210 'ENTRY_DELTA' => '2',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
211 'ENTRY_FORMULA' => 'C32H38O19',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
212 'ENTRY_ENTRY_ID' => 'HMDB0039759',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
213 'ENTRY_ADDUCT_MZ' => '265.056128',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
214 'ENTRY_ADDUCT_TYPE' => '+',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
215 'ENTRY_CPD_MZ' => '726.200729034',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
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216 'ENTRY_ADDUCT' => 'M+3Na'
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
217 },
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
218 {
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
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219 'ENTRY_FORMULA' => 'C32H38O19',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
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220 'ENTRY_DELTA' => '2',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
221 'ENTRY_ADDUCT_TYPE' => '+',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
222 'ENTRY_ADDUCT_MZ' => '265.056128',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
223 'ENTRY_ENTRY_ID' => 'HMDB0040875',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
224 'ENTRY_CPD_MZ' => '726.200729034',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
225 'ENTRY_ADDUCT' => 'M+3Na'
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
226 },
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
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227 {
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
228 'ENTRY_ADDUCT_TYPE' => '+',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
229 'ENTRY_ENTRY_ID' => 'HMDB0040878',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
230 'ENTRY_ADDUCT_MZ' => '265.056128',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
231 'ENTRY_ADDUCT' => 'M+3Na',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
232 'ENTRY_CPD_MZ' => '726.200729034',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
233 'ENTRY_FORMULA' => 'C32H38O19',
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
234 'ENTRY_DELTA' => '2'
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
235 }
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
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236 ]
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
237 ],
c32280662103 Master branch Updating - - Fxx
fgiacomoni
parents: 4
diff changeset
238 'Method \'parse_hmdb_csv_results\' works with a well-formated csv output and returns a a well formated array' ) ;
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239
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240
1
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241 }
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259 ## END of the script