Mercurial > repos > fgiacomoni > downloader_bank_hmdb
diff lib/hmdb_api.pm @ 2:be504ccbc41c draft default tip
master branch Updating with tag :CI_COMMIT_TAG - - Fxx
| author | fgiacomoni |
|---|---|
| date | Wed, 30 Nov 2022 16:14:27 +0000 |
| parents | 7c9269bded0e |
| children |
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--- a/lib/hmdb_api.pm Tue Jan 21 16:09:45 2020 -0500 +++ b/lib/hmdb_api.pm Wed Nov 30 16:14:27 2022 +0000 @@ -214,7 +214,7 @@ $metabolites->{$id}{'[M-H]-'} = ( $tmp_mass - $proton_mass + $electron_mass) * $charge ; } else { - warn "No monisotopic_molecular_weight field exists with metabolite $id\n " ; + warn "No monoisotopic_molecular_weight field exists with metabolite $id - this entry is not added in dumped file\n " ; } } } @@ -226,7 +226,7 @@ $entry->{'MZ_[M-H]-'} = ( $tmp_mass - $proton_mass + $electron_mass) * $charge ; } else { - warn "No MZ_MONO field exists with metabolite $entry->{'HMDB_ID'}\n " ; + warn "No MZ_MONO field exists with metabolite $entry->{'HMDB_ID'} - this entry is not added in dumped file\n " ; } } } @@ -270,7 +270,11 @@ push (@tmp, $metabolites->{$id}{'inchikey'}) ; # merge - push (@metabolitesSorted, \@tmp) ; + + ## filter entry if no monisotopic_molecular_weight is present + if ($metabolites->{$id}{'monisotopic_molecular_weight'} ne '') { + push (@metabolitesSorted, \@tmp) ; + } } return (\@metabolitesSorted) ;