bio 1.3.1 → 1.4.0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- data/ChangeLog +2105 -3728
- data/KNOWN_ISSUES.rdoc +35 -3
- data/README.rdoc +8 -2
- data/RELEASE_NOTES.rdoc +166 -0
- data/bin/bioruby +4 -1
- data/bioruby.gemspec +146 -1
- data/bioruby.gemspec.erb +3 -1
- data/doc/ChangeLog-before-1.3.1 +3961 -0
- data/doc/Tutorial.rd +154 -22
- data/doc/Tutorial.rd.html +125 -68
- data/lib/bio.rb +21 -6
- data/lib/bio/appl/bl2seq/report.rb +11 -202
- data/lib/bio/appl/blast/format0.rb +0 -193
- data/lib/bio/appl/blast/report.rb +2 -147
- data/lib/bio/appl/blast/wublast.rb +0 -208
- data/lib/bio/appl/fasta.rb +4 -19
- data/lib/bio/appl/fasta/format10.rb +0 -14
- data/lib/bio/appl/genscan/report.rb +0 -176
- data/lib/bio/appl/hmmer.rb +1 -15
- data/lib/bio/appl/hmmer/report.rb +0 -100
- data/lib/bio/appl/meme/mast.rb +156 -0
- data/lib/bio/appl/meme/mast/report.rb +91 -0
- data/lib/bio/appl/meme/motif.rb +48 -0
- data/lib/bio/appl/psort.rb +0 -111
- data/lib/bio/appl/psort/report.rb +1 -45
- data/lib/bio/appl/pts1.rb +2 -4
- data/lib/bio/appl/sosui/report.rb +5 -54
- data/lib/bio/appl/targetp/report.rb +1 -104
- data/lib/bio/appl/tmhmm/report.rb +0 -36
- data/lib/bio/command.rb +94 -10
- data/lib/bio/data/aa.rb +1 -77
- data/lib/bio/data/codontable.rb +1 -95
- data/lib/bio/data/na.rb +1 -26
- data/lib/bio/db/aaindex.rb +1 -38
- data/lib/bio/db/fasta.rb +1 -134
- data/lib/bio/db/fasta/format_qual.rb +204 -0
- data/lib/bio/db/fasta/qual.rb +102 -0
- data/lib/bio/db/fastq.rb +645 -0
- data/lib/bio/db/fastq/fastq_to_biosequence.rb +40 -0
- data/lib/bio/db/fastq/format_fastq.rb +175 -0
- data/lib/bio/db/genbank/genbank.rb +1 -86
- data/lib/bio/db/gff.rb +0 -17
- data/lib/bio/db/go.rb +4 -72
- data/lib/bio/db/kegg/common.rb +112 -0
- data/lib/bio/db/kegg/compound.rb +29 -20
- data/lib/bio/db/kegg/drug.rb +74 -34
- data/lib/bio/db/kegg/enzyme.rb +26 -5
- data/lib/bio/db/kegg/genes.rb +128 -15
- data/lib/bio/db/kegg/genome.rb +3 -41
- data/lib/bio/db/kegg/glycan.rb +19 -24
- data/lib/bio/db/kegg/orthology.rb +16 -56
- data/lib/bio/db/kegg/reaction.rb +81 -28
- data/lib/bio/db/kegg/taxonomy.rb +1 -52
- data/lib/bio/db/litdb.rb +1 -16
- data/lib/bio/db/phyloxml/phyloxml.xsd +582 -0
- data/lib/bio/db/phyloxml/phyloxml_elements.rb +1174 -0
- data/lib/bio/db/phyloxml/phyloxml_parser.rb +954 -0
- data/lib/bio/db/phyloxml/phyloxml_writer.rb +228 -0
- data/lib/bio/db/prosite.rb +2 -95
- data/lib/bio/db/rebase.rb +5 -6
- data/lib/bio/db/sanger_chromatogram/abif.rb +120 -0
- data/lib/bio/db/sanger_chromatogram/chromatogram.rb +133 -0
- data/lib/bio/db/sanger_chromatogram/chromatogram_to_biosequence.rb +32 -0
- data/lib/bio/db/sanger_chromatogram/scf.rb +210 -0
- data/lib/bio/io/das.rb +0 -44
- data/lib/bio/io/ddbjxml.rb +1 -181
- data/lib/bio/io/flatfile.rb +1 -7
- data/lib/bio/io/flatfile/autodetection.rb +6 -0
- data/lib/bio/io/keggapi.rb +0 -442
- data/lib/bio/io/ncbirest.rb +130 -132
- data/lib/bio/io/ncbisoap.rb +2 -1
- data/lib/bio/io/pubmed.rb +0 -88
- data/lib/bio/location.rb +0 -73
- data/lib/bio/pathway.rb +0 -171
- data/lib/bio/sequence.rb +18 -1
- data/lib/bio/sequence/adapter.rb +3 -0
- data/lib/bio/sequence/format.rb +16 -0
- data/lib/bio/sequence/quality_score.rb +205 -0
- data/lib/bio/tree.rb +70 -5
- data/lib/bio/util/restriction_enzyme/single_strand.rb +3 -2
- data/lib/bio/util/sirna.rb +1 -23
- data/lib/bio/version.rb +1 -1
- data/sample/demo_aaindex.rb +67 -0
- data/sample/demo_aminoacid.rb +101 -0
- data/sample/demo_bl2seq_report.rb +220 -0
- data/sample/demo_blast_report.rb +285 -0
- data/sample/demo_codontable.rb +119 -0
- data/sample/demo_das.rb +105 -0
- data/sample/demo_ddbjxml.rb +212 -0
- data/sample/demo_fasta_remote.rb +51 -0
- data/sample/demo_fastaformat.rb +105 -0
- data/sample/demo_genbank.rb +132 -0
- data/sample/demo_genscan_report.rb +202 -0
- data/sample/demo_gff1.rb +49 -0
- data/sample/demo_go.rb +98 -0
- data/sample/demo_hmmer_report.rb +149 -0
- data/sample/demo_kegg_compound.rb +57 -0
- data/sample/demo_kegg_drug.rb +65 -0
- data/sample/demo_kegg_genome.rb +74 -0
- data/sample/demo_kegg_glycan.rb +72 -0
- data/sample/demo_kegg_orthology.rb +62 -0
- data/sample/demo_kegg_reaction.rb +66 -0
- data/sample/demo_kegg_taxonomy.rb +92 -0
- data/sample/demo_keggapi.rb +502 -0
- data/sample/demo_litdb.rb +42 -0
- data/sample/demo_locations.rb +99 -0
- data/sample/demo_ncbi_rest.rb +130 -0
- data/sample/demo_nucleicacid.rb +49 -0
- data/sample/demo_pathway.rb +196 -0
- data/sample/demo_prosite.rb +120 -0
- data/sample/demo_psort.rb +138 -0
- data/sample/demo_psort_report.rb +70 -0
- data/sample/demo_pubmed.rb +118 -0
- data/sample/demo_sirna.rb +63 -0
- data/sample/demo_sosui_report.rb +89 -0
- data/sample/demo_targetp_report.rb +135 -0
- data/sample/demo_tmhmm_report.rb +68 -0
- data/sample/pmfetch.rb +13 -4
- data/sample/pmsearch.rb +15 -4
- data/sample/test_phyloxml_big.rb +205 -0
- data/test/bioruby_test_helper.rb +61 -0
- data/test/data/KEGG/1.1.1.1.enzyme +935 -0
- data/test/data/KEGG/C00025.compound +102 -0
- data/test/data/KEGG/D00063.drug +104 -0
- data/test/data/KEGG/G00024.glycan +47 -0
- data/test/data/KEGG/G01366.glycan +18 -0
- data/test/data/KEGG/K02338.orthology +902 -0
- data/test/data/KEGG/R00006.reaction +14 -0
- data/test/data/fastq/README.txt +109 -0
- data/test/data/fastq/error_diff_ids.fastq +20 -0
- data/test/data/fastq/error_double_qual.fastq +22 -0
- data/test/data/fastq/error_double_seq.fastq +22 -0
- data/test/data/fastq/error_long_qual.fastq +20 -0
- data/test/data/fastq/error_no_qual.fastq +20 -0
- data/test/data/fastq/error_qual_del.fastq +20 -0
- data/test/data/fastq/error_qual_escape.fastq +20 -0
- data/test/data/fastq/error_qual_null.fastq +0 -0
- data/test/data/fastq/error_qual_space.fastq +21 -0
- data/test/data/fastq/error_qual_tab.fastq +21 -0
- data/test/data/fastq/error_qual_unit_sep.fastq +20 -0
- data/test/data/fastq/error_qual_vtab.fastq +20 -0
- data/test/data/fastq/error_short_qual.fastq +20 -0
- data/test/data/fastq/error_spaces.fastq +20 -0
- data/test/data/fastq/error_tabs.fastq +21 -0
- data/test/data/fastq/error_trunc_at_plus.fastq +19 -0
- data/test/data/fastq/error_trunc_at_qual.fastq +19 -0
- data/test/data/fastq/error_trunc_at_seq.fastq +18 -0
- data/test/data/fastq/error_trunc_in_plus.fastq +19 -0
- data/test/data/fastq/error_trunc_in_qual.fastq +20 -0
- data/test/data/fastq/error_trunc_in_seq.fastq +18 -0
- data/test/data/fastq/error_trunc_in_title.fastq +17 -0
- data/test/data/fastq/illumina_full_range_as_illumina.fastq +8 -0
- data/test/data/fastq/illumina_full_range_as_sanger.fastq +8 -0
- data/test/data/fastq/illumina_full_range_as_solexa.fastq +8 -0
- data/test/data/fastq/illumina_full_range_original_illumina.fastq +8 -0
- data/test/data/fastq/longreads_as_illumina.fastq +40 -0
- data/test/data/fastq/longreads_as_sanger.fastq +40 -0
- data/test/data/fastq/longreads_as_solexa.fastq +40 -0
- data/test/data/fastq/longreads_original_sanger.fastq +120 -0
- data/test/data/fastq/misc_dna_as_illumina.fastq +16 -0
- data/test/data/fastq/misc_dna_as_sanger.fastq +16 -0
- data/test/data/fastq/misc_dna_as_solexa.fastq +16 -0
- data/test/data/fastq/misc_dna_original_sanger.fastq +16 -0
- data/test/data/fastq/misc_rna_as_illumina.fastq +16 -0
- data/test/data/fastq/misc_rna_as_sanger.fastq +16 -0
- data/test/data/fastq/misc_rna_as_solexa.fastq +16 -0
- data/test/data/fastq/misc_rna_original_sanger.fastq +16 -0
- data/test/data/fastq/sanger_full_range_as_illumina.fastq +8 -0
- data/test/data/fastq/sanger_full_range_as_sanger.fastq +8 -0
- data/test/data/fastq/sanger_full_range_as_solexa.fastq +8 -0
- data/test/data/fastq/sanger_full_range_original_sanger.fastq +8 -0
- data/test/data/fastq/solexa_full_range_as_illumina.fastq +8 -0
- data/test/data/fastq/solexa_full_range_as_sanger.fastq +8 -0
- data/test/data/fastq/solexa_full_range_as_solexa.fastq +8 -0
- data/test/data/fastq/solexa_full_range_original_solexa.fastq +8 -0
- data/test/data/fastq/wrapping_as_illumina.fastq +12 -0
- data/test/data/fastq/wrapping_as_sanger.fastq +12 -0
- data/test/data/fastq/wrapping_as_solexa.fastq +12 -0
- data/test/data/fastq/wrapping_original_sanger.fastq +24 -0
- data/test/data/meme/db +0 -0
- data/test/data/meme/mast +0 -0
- data/test/data/meme/mast.out +13 -0
- data/test/data/meme/meme.out +3 -0
- data/test/data/phyloxml/apaf.xml +666 -0
- data/test/data/phyloxml/bcl_2.xml +2097 -0
- data/test/data/phyloxml/made_up.xml +144 -0
- data/test/data/phyloxml/ncbi_taxonomy_mollusca_short.xml +65 -0
- data/test/data/phyloxml/phyloxml_examples.xml +415 -0
- data/test/data/sanger_chromatogram/test_chromatogram_abif.ab1 +0 -0
- data/test/data/sanger_chromatogram/test_chromatogram_scf_v2.scf +0 -0
- data/test/data/sanger_chromatogram/test_chromatogram_scf_v3.scf +0 -0
- data/test/functional/bio/appl/test_pts1.rb +7 -5
- data/test/functional/bio/io/test_ensembl.rb +4 -3
- data/test/functional/bio/io/test_pubmed.rb +9 -3
- data/test/functional/bio/io/test_soapwsdl.rb +5 -4
- data/test/functional/bio/io/test_togows.rb +5 -4
- data/test/functional/bio/sequence/test_output_embl.rb +6 -4
- data/test/functional/bio/test_command.rb +54 -5
- data/test/runner.rb +5 -3
- data/test/unit/bio/appl/bl2seq/test_report.rb +5 -4
- data/test/unit/bio/appl/blast/test_ncbioptions.rb +4 -2
- data/test/unit/bio/appl/blast/test_report.rb +5 -4
- data/test/unit/bio/appl/blast/test_rpsblast.rb +5 -4
- data/test/unit/bio/appl/gcg/test_msf.rb +5 -5
- data/test/unit/bio/appl/genscan/test_report.rb +8 -9
- data/test/unit/bio/appl/hmmer/test_report.rb +5 -4
- data/test/unit/bio/appl/iprscan/test_report.rb +6 -5
- data/test/unit/bio/appl/mafft/test_report.rb +6 -5
- data/test/unit/bio/appl/meme/mast/test_report.rb +46 -0
- data/test/unit/bio/appl/meme/test_mast.rb +103 -0
- data/test/unit/bio/appl/meme/test_motif.rb +38 -0
- data/test/unit/bio/appl/paml/codeml/test_rates.rb +5 -4
- data/test/unit/bio/appl/paml/codeml/test_report.rb +5 -4
- data/test/unit/bio/appl/paml/test_codeml.rb +5 -4
- data/test/unit/bio/appl/sim4/test_report.rb +5 -4
- data/test/unit/bio/appl/sosui/test_report.rb +6 -5
- data/test/unit/bio/appl/targetp/test_report.rb +5 -3
- data/test/unit/bio/appl/test_blast.rb +5 -4
- data/test/unit/bio/appl/test_fasta.rb +4 -2
- data/test/unit/bio/appl/test_pts1.rb +4 -2
- data/test/unit/bio/appl/tmhmm/test_report.rb +6 -5
- data/test/unit/bio/data/test_aa.rb +5 -3
- data/test/unit/bio/data/test_codontable.rb +5 -4
- data/test/unit/bio/data/test_na.rb +5 -3
- data/test/unit/bio/db/biosql/tc_biosql.rb +5 -1
- data/test/unit/bio/db/embl/test_common.rb +4 -2
- data/test/unit/bio/db/embl/test_embl.rb +6 -6
- data/test/unit/bio/db/embl/test_embl_rel89.rb +6 -6
- data/test/unit/bio/db/embl/test_embl_to_bioseq.rb +7 -8
- data/test/unit/bio/db/embl/test_sptr.rb +6 -8
- data/test/unit/bio/db/embl/test_uniprot.rb +6 -5
- data/test/unit/bio/db/fasta/test_format_qual.rb +346 -0
- data/test/unit/bio/db/kegg/test_compound.rb +146 -0
- data/test/unit/bio/db/kegg/test_drug.rb +194 -0
- data/test/unit/bio/db/kegg/test_enzyme.rb +241 -0
- data/test/unit/bio/db/kegg/test_genes.rb +32 -4
- data/test/unit/bio/db/kegg/test_glycan.rb +260 -0
- data/test/unit/bio/db/kegg/test_orthology.rb +50 -0
- data/test/unit/bio/db/kegg/test_reaction.rb +96 -0
- data/test/unit/bio/db/pdb/test_pdb.rb +4 -2
- data/test/unit/bio/db/sanger_chromatogram/test_abif.rb +76 -0
- data/test/unit/bio/db/sanger_chromatogram/test_scf.rb +98 -0
- data/test/unit/bio/db/test_aaindex.rb +6 -6
- data/test/unit/bio/db/test_fasta.rb +5 -46
- data/test/unit/bio/db/test_fastq.rb +829 -0
- data/test/unit/bio/db/test_gff.rb +4 -2
- data/test/unit/bio/db/test_lasergene.rb +7 -5
- data/test/unit/bio/db/test_medline.rb +4 -2
- data/test/unit/bio/db/test_newick.rb +6 -6
- data/test/unit/bio/db/test_nexus.rb +4 -2
- data/test/unit/bio/db/test_phyloxml.rb +769 -0
- data/test/unit/bio/db/test_phyloxml_writer.rb +328 -0
- data/test/unit/bio/db/test_prosite.rb +6 -5
- data/test/unit/bio/db/test_qual.rb +63 -0
- data/test/unit/bio/db/test_rebase.rb +5 -3
- data/test/unit/bio/db/test_soft.rb +7 -6
- data/test/unit/bio/io/flatfile/test_autodetection.rb +6 -7
- data/test/unit/bio/io/flatfile/test_buffer.rb +6 -5
- data/test/unit/bio/io/flatfile/test_splitter.rb +4 -4
- data/test/unit/bio/io/test_ddbjxml.rb +4 -3
- data/test/unit/bio/io/test_ensembl.rb +5 -3
- data/test/unit/bio/io/test_fastacmd.rb +4 -3
- data/test/unit/bio/io/test_flatfile.rb +6 -5
- data/test/unit/bio/io/test_soapwsdl.rb +4 -3
- data/test/unit/bio/io/test_togows.rb +4 -2
- data/test/unit/bio/sequence/test_aa.rb +5 -3
- data/test/unit/bio/sequence/test_common.rb +4 -2
- data/test/unit/bio/sequence/test_compat.rb +4 -2
- data/test/unit/bio/sequence/test_dblink.rb +5 -3
- data/test/unit/bio/sequence/test_na.rb +4 -2
- data/test/unit/bio/sequence/test_quality_score.rb +330 -0
- data/test/unit/bio/shell/plugin/test_seq.rb +5 -3
- data/test/unit/bio/test_alignment.rb +5 -3
- data/test/unit/bio/test_command.rb +4 -3
- data/test/unit/bio/test_db.rb +5 -3
- data/test/unit/bio/test_feature.rb +4 -2
- data/test/unit/bio/test_location.rb +4 -2
- data/test/unit/bio/test_map.rb +5 -3
- data/test/unit/bio/test_pathway.rb +4 -2
- data/test/unit/bio/test_reference.rb +4 -2
- data/test/unit/bio/test_sequence.rb +5 -3
- data/test/unit/bio/test_shell.rb +5 -3
- data/test/unit/bio/test_tree.rb +6 -6
- data/test/unit/bio/util/restriction_enzyme/analysis/test_calculated_cuts.rb +4 -2
- data/test/unit/bio/util/restriction_enzyme/analysis/test_cut_ranges.rb +4 -2
- data/test/unit/bio/util/restriction_enzyme/analysis/test_sequence_range.rb +4 -2
- data/test/unit/bio/util/restriction_enzyme/double_stranded/test_aligned_strands.rb +4 -2
- data/test/unit/bio/util/restriction_enzyme/double_stranded/test_cut_location_pair.rb +4 -2
- data/test/unit/bio/util/restriction_enzyme/double_stranded/test_cut_location_pair_in_enzyme_notation.rb +4 -2
- data/test/unit/bio/util/restriction_enzyme/double_stranded/test_cut_locations.rb +4 -2
- data/test/unit/bio/util/restriction_enzyme/double_stranded/test_cut_locations_in_enzyme_notation.rb +4 -2
- data/test/unit/bio/util/restriction_enzyme/single_strand/test_cut_locations_in_enzyme_notation.rb +4 -2
- data/test/unit/bio/util/restriction_enzyme/test_analysis.rb +4 -2
- data/test/unit/bio/util/restriction_enzyme/test_cut_symbol.rb +4 -2
- data/test/unit/bio/util/restriction_enzyme/test_double_stranded.rb +4 -2
- data/test/unit/bio/util/restriction_enzyme/test_single_strand.rb +17 -13
- data/test/unit/bio/util/restriction_enzyme/test_single_strand_complement.rb +17 -13
- data/test/unit/bio/util/restriction_enzyme/test_string_formatting.rb +4 -2
- data/test/unit/bio/util/test_color_scheme.rb +5 -3
- data/test/unit/bio/util/test_contingency_table.rb +5 -3
- data/test/unit/bio/util/test_restriction_enzyme.rb +4 -2
- data/test/unit/bio/util/test_sirna.rb +6 -4
- metadata +147 -2
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#
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# test/unit/bio/db/kegg/test_compound.rb - Unit test for Bio::KEGG::COMPOUND
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#
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# Copyright:: Copyright (C) 2009 Kozo Nishida <kozo-ni@is.naist.jp>
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# License:: The Ruby License
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# loading helper routine for testing bioruby
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require 'pathname'
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load Pathname.new(File.join(File.dirname(__FILE__), ['..'] * 4,
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'bioruby_test_helper.rb')).cleanpath.to_s
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# libraries needed for the tests
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require 'test/unit'
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require 'bio/db/kegg/compound'
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module Bio
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class TestKeggCompound < Test::Unit::TestCase
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def setup
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testdata_kegg = Pathname.new(File.join(BioRubyTestDataPath, 'KEGG')).cleanpath.to_s
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entry = File.read(File.join(testdata_kegg, "C00025.compound"))
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end
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def test_entry_id
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end
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def test_name
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end
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end
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def test_formula
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end
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def test_mass
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assert_equal(147.0532, @obj.mass)
|
|
43
|
+
end
|
|
44
|
+
|
|
45
|
+
def test_remark
|
|
46
|
+
assert_equal("Same as: D00007", @obj.remark)
|
|
47
|
+
end
|
|
48
|
+
|
|
49
|
+
def test_reactions
|
|
50
|
+
assert_equal(["R00021", "R00093", "R00114", "R00239", "R00241", "R00243", "R00245", "R00248", "R00250", "R00251", "R00253", "R00254", "R00256", "R00257", "R00258", "R00259", "R00260", "R00261", "R00262", "R00263", "R00355", "R00372", "R00411", "R00457", "R00494", "R00525", "R00573", "R00575", "R00578", "R00609", "R00667", "R00668", "R00684", "R00694", "R00707", "R00708", "R00734", "R00768", "R00894", "R00895", "R00908", "R00942", "R00986", "R01072", "R01090", "R01155", "R01161", "R01214", "R01231", "R01339", "R01585", "R01586", "R01648", "R01654", "R01684", "R01716", "R01939", "R01956", "R02040", "R02077", "R02199", "R02237", "R02274", "R02282", "R02283", "R02285", "R02287", "R02313", "R02315", "R02433", "R02619", "R02700", "R02772", "R02773", "R02929", "R02930", "R03053", "R03120", "R03189", "R03207", "R03243", "R03248", "R03266", "R03651", "R03905", "R03916", "R03952", "R03970", "R03971", "R04028", "R04029", "R04051", "R04171", "R04173", "R04188", "R04212", "R04217", "R04234", "R04241", "R04269", "R04338", "R04438", "R04463", "R04467", "R04475", "R04529", "R04558", "R04776", "R05052", "R05085", "R05197", "R05207", "R05224", "R05225", "R05507", "R05578", "R05815", "R06423", "R06426", "R06844", "R06977", "R07275", "R07276", "R07277", "R07396", "R07414", "R07419", "R07456", "R07613", "R07643", "R07659", "R08244"], @obj.reactions)
|
|
51
|
+
end
|
|
52
|
+
|
|
53
|
+
def test_rpairs
|
|
54
|
+
assert_equal([], @obj.rpairs)
|
|
55
|
+
end
|
|
56
|
+
|
|
57
|
+
def test_pathways_as_strings
|
|
58
|
+
assert_equal(["PATH: ko00250 Alanine, aspartate and glutamate metabolism", "PATH: ko00330 Arginine and proline metabolism", "PATH: ko00340 Histidine metabolism", "PATH: ko00471 D-Glutamine and D-glutamate metabolism", "PATH: ko00480 Glutathione metabolism", "PATH: ko00650 Butanoate metabolism", "PATH: ko00660 C5-Branched dibasic acid metabolism", "PATH: ko00860 Porphyrin and chlorophyll metabolism", "PATH: ko00910 Nitrogen metabolism", "PATH: ko00970 Aminoacyl-tRNA biosynthesis", "PATH: map01060 Biosynthesis of plant secondary metabolites", "PATH: ko01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid", "PATH: ko01100 Metabolic pathways", "PATH: ko02010 ABC transporters", "PATH: ko04080 Neuroactive ligand-receptor interaction", "PATH: ko04540 Gap junction", "PATH: ko04720 Long-term potentiation", "PATH: ko04730 Long-term depression", "PATH: ko04742 Taste transduction", "PATH: ko05014 Amyotrophic lateral sclerosis (ALS)", "PATH: ko05016 Huntington's disease"], @obj.pathways_as_strings)
|
|
59
|
+
end
|
|
60
|
+
|
|
61
|
+
def test_enzymes
|
|
62
|
+
assert_equal(["1.4.1.2", "1.4.1.3", "1.4.1.4", "1.4.1.13", "1.4.1.14", "1.4.3.11", "1.4.7.1", "1.5.1.9", "1.5.1.10", "1.5.1.12", "1.5.99.5", "2.1.1.21", "2.1.2.5", "2.3.1.1", "2.3.1.14", "2.3.1.35", "2.3.2.2", "2.3.2.-", "2.4.2.14", "2.4.2.-", "2.6.1.1", "2.6.1.2", "2.6.1.3", "2.6.1.4", "2.6.1.5", "2.6.1.6", "2.6.1.7", "2.6.1.8", "2.6.1.9", "2.6.1.11", "2.6.1.13", "2.6.1.16", "2.6.1.17", "2.6.1.19", "2.6.1.22", "2.6.1.23", "2.6.1.24", "2.6.1.26", "2.6.1.27", "2.6.1.29", "2.6.1.33", "2.6.1.34", "2.6.1.36", "2.6.1.38", "2.6.1.39", "2.6.1.40", "2.6.1.42", "2.6.1.48", "2.6.1.49", "2.6.1.52", "2.6.1.55", "2.6.1.57", "2.6.1.59", "2.6.1.65", "2.6.1.67", "2.6.1.68", "2.6.1.72", "2.6.1.75", "2.6.1.76", "2.6.1.79", "2.6.1.80", "2.6.1.81", "2.6.1.82", "2.6.1.83", "2.6.1.85", "2.6.1.-", "2.7.2.11", "2.7.2.13", "3.5.1.2", "3.5.1.38", "3.5.1.55", "3.5.1.65", "3.5.1.68", "3.5.1.87", "3.5.1.94", "3.5.1.96", "3.5.2.9", "3.5.3.8", "4.1.1.15", "4.1.3.27", "4.1.3.-", "5.1.1.3", "5.4.99.1", "6.1.1.17", "6.1.1.24", "6.3.1.2", "6.3.1.6", "6.3.1.11", "6.3.1.-", "6.3.2.2", "6.3.2.12", "6.3.2.17", "6.3.2.18", "6.3.4.2", "6.3.4.12", "6.3.5.1", "6.3.5.2", "6.3.5.3", "6.3.5.4", "6.3.5.5", "6.3.5.6", "6.3.5.7", "6.3.5.9", "6.3.5.10"], @obj.enzymes)
|
|
63
|
+
end
|
|
64
|
+
|
|
65
|
+
def test_dblinks_as_strings
|
|
66
|
+
assert_equal([ "CAS: 56-86-0",
|
|
67
|
+
"PubChem: 3327",
|
|
68
|
+
"ChEBI: 16015",
|
|
69
|
+
"KNApSAcK: C00001358",
|
|
70
|
+
"PDB-CCD: GLU",
|
|
71
|
+
"3DMET: B00007",
|
|
72
|
+
"NIKKAJI: J9.171E" ], @obj.dblinks_as_strings)
|
|
73
|
+
end
|
|
74
|
+
|
|
75
|
+
def test_dblinks_as_hash
|
|
76
|
+
expected = {
|
|
77
|
+
"CAS" => [ "56-86-0" ],
|
|
78
|
+
"PubChem" => [ "3327" ],
|
|
79
|
+
"ChEBI" => [ "16015" ],
|
|
80
|
+
"KNApSAcK" => [ "C00001358" ],
|
|
81
|
+
"PDB-CCD" => [ "GLU" ],
|
|
82
|
+
"3DMET" => [ "B00007" ],
|
|
83
|
+
"NIKKAJI" => [ "J9.171E" ]
|
|
84
|
+
}
|
|
85
|
+
assert_equal(expected, @obj.dblinks_as_hash)
|
|
86
|
+
assert_equal(expected, @obj.dblinks)
|
|
87
|
+
end
|
|
88
|
+
|
|
89
|
+
def test_pathways_as_hash
|
|
90
|
+
expected = {
|
|
91
|
+
"ko00250" => "Alanine, aspartate and glutamate metabolism",
|
|
92
|
+
"ko00330" => "Arginine and proline metabolism",
|
|
93
|
+
"ko00340" => "Histidine metabolism",
|
|
94
|
+
"ko00471" => "D-Glutamine and D-glutamate metabolism",
|
|
95
|
+
"ko00480" => "Glutathione metabolism",
|
|
96
|
+
"ko00650" => "Butanoate metabolism",
|
|
97
|
+
"ko00660" => "C5-Branched dibasic acid metabolism",
|
|
98
|
+
"ko00860" => "Porphyrin and chlorophyll metabolism",
|
|
99
|
+
"ko00910" => "Nitrogen metabolism",
|
|
100
|
+
"ko00970" => "Aminoacyl-tRNA biosynthesis",
|
|
101
|
+
"map01060" => "Biosynthesis of plant secondary metabolites",
|
|
102
|
+
"ko01064" =>
|
|
103
|
+
"Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid",
|
|
104
|
+
"ko01100" => "Metabolic pathways",
|
|
105
|
+
"ko02010" => "ABC transporters",
|
|
106
|
+
"ko04080" => "Neuroactive ligand-receptor interaction",
|
|
107
|
+
"ko04540" => "Gap junction",
|
|
108
|
+
"ko04720" => "Long-term potentiation",
|
|
109
|
+
"ko04730" => "Long-term depression",
|
|
110
|
+
"ko04742" => "Taste transduction",
|
|
111
|
+
"ko05014" => "Amyotrophic lateral sclerosis (ALS)",
|
|
112
|
+
"ko05016" => "Huntington's disease"
|
|
113
|
+
}
|
|
114
|
+
assert_equal(expected, @obj.pathways_as_hash)
|
|
115
|
+
assert_equal(expected, @obj.pathways)
|
|
116
|
+
end
|
|
117
|
+
|
|
118
|
+
def test_kcf
|
|
119
|
+
assert_equal("ATOM 10
|
|
120
|
+
1 C1c C 23.8372 -17.4608
|
|
121
|
+
2 C1b C 25.0252 -16.7233
|
|
122
|
+
3 C6a C 22.6023 -16.7994
|
|
123
|
+
4 N1a N 23.8781 -18.8595
|
|
124
|
+
5 C1b C 26.2601 -17.3788
|
|
125
|
+
6 O6a O 21.4434 -17.5954
|
|
126
|
+
7 O6a O 22.6198 -15.4007
|
|
127
|
+
8 C6a C 27.4482 -16.6414
|
|
128
|
+
9 O6a O 28.6830 -17.3028
|
|
129
|
+
10 O6a O 27.4714 -15.2426
|
|
130
|
+
BOND 9
|
|
131
|
+
1 1 2 1
|
|
132
|
+
2 1 3 1
|
|
133
|
+
3 1 4 1 #Down
|
|
134
|
+
4 2 5 1
|
|
135
|
+
5 3 6 1
|
|
136
|
+
6 3 7 2
|
|
137
|
+
7 5 8 1
|
|
138
|
+
8 8 9 1
|
|
139
|
+
9 8 10 2", @obj.kcf)
|
|
140
|
+
end
|
|
141
|
+
|
|
142
|
+
def test_comment
|
|
143
|
+
assert_equal('The name "glutamate" also means DL-Glutamate (see [CPD:C00302])', @obj.comment)
|
|
144
|
+
end
|
|
145
|
+
end
|
|
146
|
+
end
|
|
@@ -0,0 +1,194 @@
|
|
|
1
|
+
#
|
|
2
|
+
# test/unit/bio/db/kegg/test_drug.rb - Unit test for Bio::KEGG::DRUG
|
|
3
|
+
#
|
|
4
|
+
# Copyright:: Copyright (C) 2009 Naohisa Goto <ng@bioruby.org>
|
|
5
|
+
# License:: The Ruby License
|
|
6
|
+
#
|
|
7
|
+
|
|
8
|
+
# loading helper routine for testing bioruby
|
|
9
|
+
require 'pathname'
|
|
10
|
+
load Pathname.new(File.join(File.dirname(__FILE__), ['..'] * 4,
|
|
11
|
+
'bioruby_test_helper.rb')).cleanpath.to_s
|
|
12
|
+
|
|
13
|
+
# libraries needed for the tests
|
|
14
|
+
require 'test/unit'
|
|
15
|
+
require 'bio/db/kegg/drug.rb'
|
|
16
|
+
|
|
17
|
+
module Bio
|
|
18
|
+
class TestBioKeggDRUG < Test::Unit::TestCase
|
|
19
|
+
|
|
20
|
+
def setup
|
|
21
|
+
filename = File.join(BioRubyTestDataPath, 'KEGG/D00063.drug')
|
|
22
|
+
@obj = Bio::KEGG::DRUG.new(File.read(filename))
|
|
23
|
+
end
|
|
24
|
+
|
|
25
|
+
def test_dblinks_as_hash
|
|
26
|
+
expected = {
|
|
27
|
+
"ChEBI"=>["28864"],
|
|
28
|
+
"PubChem"=>["7847131"],
|
|
29
|
+
"NIKKAJI"=>["J4.533K"],
|
|
30
|
+
"PDB-CCD"=>["TOY"],
|
|
31
|
+
"DrugBank"=>["DB00684"],
|
|
32
|
+
"LigandBox"=>["D00063"],
|
|
33
|
+
"CAS"=>["32986-56-4"]
|
|
34
|
+
}
|
|
35
|
+
assert_equal(expected, @obj.dblinks_as_hash)
|
|
36
|
+
assert_equal(expected, @obj.dblinks)
|
|
37
|
+
end
|
|
38
|
+
|
|
39
|
+
def test_pathways_as_hash
|
|
40
|
+
expected = {"map07021"=>"Aminoglycosides"}
|
|
41
|
+
assert_equal(expected, @obj.pathways_as_hash)
|
|
42
|
+
assert_equal(expected, @obj.pathways)
|
|
43
|
+
end
|
|
44
|
+
|
|
45
|
+
def test_entry_id
|
|
46
|
+
assert_equal("D00063", @obj.entry_id)
|
|
47
|
+
end
|
|
48
|
+
|
|
49
|
+
def test_names
|
|
50
|
+
expected = [ "Tobramycin (JP15/USP)",
|
|
51
|
+
"TOB", "Tobracin (TN)", "Tobrex (TN)" ]
|
|
52
|
+
assert_equal(expected, @obj.names)
|
|
53
|
+
end
|
|
54
|
+
|
|
55
|
+
def test_name
|
|
56
|
+
expected = "Tobramycin (JP15/USP)"
|
|
57
|
+
assert_equal(expected, @obj.name)
|
|
58
|
+
end
|
|
59
|
+
|
|
60
|
+
def test_formula
|
|
61
|
+
assert_equal("C18H37N5O9", @obj.formula)
|
|
62
|
+
end
|
|
63
|
+
|
|
64
|
+
def test_mass
|
|
65
|
+
assert_equal(467.2591, @obj.mass)
|
|
66
|
+
end
|
|
67
|
+
|
|
68
|
+
def test_activity
|
|
69
|
+
expected = "Antibacterial"
|
|
70
|
+
assert_equal(expected, @obj.activity)
|
|
71
|
+
end
|
|
72
|
+
|
|
73
|
+
def test_remark
|
|
74
|
+
expected = "Same as: C00397 Therapeutic category: 1317 6123 ATC code: J01GB01 S01AA12"
|
|
75
|
+
assert_equal(expected, @obj.remark)
|
|
76
|
+
end
|
|
77
|
+
|
|
78
|
+
def test_pathways_as_strings
|
|
79
|
+
expected = [ "PATH: map07021 Aminoglycosides" ]
|
|
80
|
+
assert_equal(expected, @obj.pathways_as_strings)
|
|
81
|
+
end
|
|
82
|
+
|
|
83
|
+
def test_dblinks_as_strings
|
|
84
|
+
expected = [ "CAS: 32986-56-4",
|
|
85
|
+
"PubChem: 7847131",
|
|
86
|
+
"ChEBI: 28864",
|
|
87
|
+
"DrugBank: DB00684",
|
|
88
|
+
"PDB-CCD: TOY",
|
|
89
|
+
"LigandBox: D00063",
|
|
90
|
+
"NIKKAJI: J4.533K" ]
|
|
91
|
+
assert_equal(expected, @obj.dblinks_as_strings)
|
|
92
|
+
end
|
|
93
|
+
|
|
94
|
+
def test_kcf
|
|
95
|
+
expected = <<END_OF_EXPECTED_KCF
|
|
96
|
+
ATOM 32
|
|
97
|
+
1 C1y C 20.6560 -20.0968
|
|
98
|
+
2 C1y C 20.6560 -21.4973
|
|
99
|
+
3 C1y C 21.8689 -22.1975
|
|
100
|
+
4 C1y C 23.0818 -21.4973
|
|
101
|
+
5 C1y C 23.0818 -20.0968
|
|
102
|
+
6 O2x O 21.8689 -19.3965
|
|
103
|
+
7 C1b C 19.4432 -19.3965
|
|
104
|
+
8 O1a O 18.2473 -20.0872
|
|
105
|
+
9 O1a O 19.4432 -22.1975
|
|
106
|
+
10 N1a N 21.8689 -23.5978
|
|
107
|
+
11 O1a O 24.3134 -22.2085
|
|
108
|
+
12 O2a O 24.3134 -19.3855
|
|
109
|
+
13 C1y C 25.4878 -18.6963
|
|
110
|
+
14 C1y C 26.7056 -19.3879
|
|
111
|
+
15 C1x C 27.9134 -18.6791
|
|
112
|
+
16 C1y C 27.9035 -17.2786
|
|
113
|
+
17 C1y C 26.6857 -16.5869
|
|
114
|
+
18 C1y C 25.4779 -17.2958
|
|
115
|
+
19 N1a N 26.7157 -20.7965
|
|
116
|
+
20 N1a N 29.0779 -16.5893
|
|
117
|
+
21 O1a O 24.2675 -16.6084
|
|
118
|
+
22 O2a O 26.6757 -15.1950
|
|
119
|
+
23 C1y C 27.8854 -14.4851
|
|
120
|
+
24 O2x O 29.0946 -15.1718
|
|
121
|
+
25 C1y C 30.3025 -14.4631
|
|
122
|
+
26 C1y C 30.2926 -13.0626
|
|
123
|
+
27 C1x C 29.0835 -12.3758
|
|
124
|
+
28 C1y C 27.8755 -13.0846
|
|
125
|
+
29 C1b C 31.5468 -15.1693
|
|
126
|
+
30 N1a N 31.5569 -16.5953
|
|
127
|
+
31 O1a O 31.5060 -12.3503
|
|
128
|
+
32 N1a N 26.6567 -12.3923
|
|
129
|
+
BOND 34
|
|
130
|
+
1 1 2 1
|
|
131
|
+
2 2 3 1
|
|
132
|
+
3 3 4 1
|
|
133
|
+
4 4 5 1
|
|
134
|
+
5 5 6 1
|
|
135
|
+
6 1 6 1
|
|
136
|
+
7 1 7 1 #Up
|
|
137
|
+
8 7 8 1
|
|
138
|
+
9 2 9 1 #Down
|
|
139
|
+
10 3 10 1 #Up
|
|
140
|
+
11 4 11 1 #Down
|
|
141
|
+
12 5 12 1 #Down
|
|
142
|
+
13 13 12 1 #Down
|
|
143
|
+
14 13 14 1
|
|
144
|
+
15 14 15 1
|
|
145
|
+
16 15 16 1
|
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146
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+
17 16 17 1
|
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147
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+
18 17 18 1
|
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148
|
+
19 13 18 1
|
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149
|
+
20 14 19 1 #Up
|
|
150
|
+
21 16 20 1 #Up
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151
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+
22 18 21 1 #Up
|
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152
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+
23 17 22 1 #Down
|
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153
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+
24 23 22 1 #Down
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|
154
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+
25 23 24 1
|
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155
|
+
26 24 25 1
|
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156
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+
27 25 26 1
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157
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+
28 26 27 1
|
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158
|
+
29 27 28 1
|
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159
|
+
30 23 28 1
|
|
160
|
+
31 25 29 1 #Up
|
|
161
|
+
32 29 30 1
|
|
162
|
+
33 26 31 1 #Down
|
|
163
|
+
34 28 32 1 #Down
|
|
164
|
+
END_OF_EXPECTED_KCF
|
|
165
|
+
assert_equal(expected, @obj.kcf)
|
|
166
|
+
end
|
|
167
|
+
|
|
168
|
+
def test_comment
|
|
169
|
+
expected = "natural product"
|
|
170
|
+
assert_equal(expected, @obj.comment)
|
|
171
|
+
end
|
|
172
|
+
|
|
173
|
+
def test_products
|
|
174
|
+
expected =
|
|
175
|
+
[
|
|
176
|
+
"TOBI (Novartis Pharma) 94F9E516-6BF6-4E30-8DDE-8833C25C2560",
|
|
177
|
+
"TOBRAMYCIN (Bristol-Myers Squibb) 7305F9BB-622B-43C0-981A-56E2F226CFD7",
|
|
178
|
+
"TOBRAMYCIN (Hospira) C5A005B0-7B6F-4E30-DF92-9A20B1CA66A1",
|
|
179
|
+
"Tobramycin (Akorn-Strides) 49151A62-191A-4BA8-8B8C-BD8535F2FDB3",
|
|
180
|
+
"Tobramycin (Bausch and Lomb) A5693EC9-D2F7-4D45-90B0-A113C54840D7",
|
|
181
|
+
"Tobramycin (Falcon Pharma) 27E2C16E-19B0-4745-93EB-5CF99F94BB92",
|
|
182
|
+
"Tobramycin (Hospira) 4E115874-3637-4AED-B6AF-77D53A850208",
|
|
183
|
+
"Tobramycin (Hospira) EB02166C-18F6-4BE0-F493-AC89D65DA759",
|
|
184
|
+
"Tobramycin (X-Gen Pharma) A384641C-04E3-4AB5-B152-7408CD07B64D",
|
|
185
|
+
"Tobramycin in Sodium Chloride (Hospira) EE907146-E4A8-4578-A9B0-C8E9790E3D55",
|
|
186
|
+
"Tobrex (Alcon Lab) 4B8716C4-0FFD-49AA-9006-A3BF5B6D19A6",
|
|
187
|
+
"Tobrex (Alcon Lab) CDD423C5-A231-47D4-BF51-00B5C29E6A60"
|
|
188
|
+
]
|
|
189
|
+
assert_equal(expected, @obj.products)
|
|
190
|
+
end
|
|
191
|
+
|
|
192
|
+
end #class TestBioKeggDRUG
|
|
193
|
+
end #module Bio
|
|
194
|
+
|
|
@@ -0,0 +1,241 @@
|
|
|
1
|
+
#
|
|
2
|
+
# test/unit/bio/db/kegg/test_enzyme.rb - Unit test for Bio::KEGG::ENZYME
|
|
3
|
+
#
|
|
4
|
+
# Copyright:: Copyright (C) 2009 Naohisa Goto <ng@bioruby.org>
|
|
5
|
+
# License:: The Ruby License
|
|
6
|
+
#
|
|
7
|
+
|
|
8
|
+
# loading helper routine for testing bioruby
|
|
9
|
+
require 'pathname'
|
|
10
|
+
load Pathname.new(File.join(File.dirname(__FILE__), ['..'] * 4,
|
|
11
|
+
'bioruby_test_helper.rb')).cleanpath.to_s
|
|
12
|
+
|
|
13
|
+
# libraries needed for the tests
|
|
14
|
+
require 'test/unit'
|
|
15
|
+
require 'digest/sha1'
|
|
16
|
+
require 'bio/db/kegg/enzyme'
|
|
17
|
+
|
|
18
|
+
module Bio
|
|
19
|
+
class TestKeggEnzyme < Test::Unit::TestCase
|
|
20
|
+
|
|
21
|
+
def setup
|
|
22
|
+
testdata_kegg = Pathname.new(File.join(BioRubyTestDataPath,
|
|
23
|
+
'KEGG')).cleanpath.to_s
|
|
24
|
+
entry = File.read(File.join(testdata_kegg, "1.1.1.1.enzyme"))
|
|
25
|
+
@obj = Bio::KEGG::ENZYME.new(entry)
|
|
26
|
+
end
|
|
27
|
+
|
|
28
|
+
def test_entry
|
|
29
|
+
assert_equal("EC 1.1.1.1 Enzyme", @obj.entry)
|
|
30
|
+
end
|
|
31
|
+
|
|
32
|
+
def test_entry_id
|
|
33
|
+
assert_equal("1.1.1.1", @obj.entry_id)
|
|
34
|
+
end
|
|
35
|
+
|
|
36
|
+
def test_obsolete?
|
|
37
|
+
assert_equal(false, @obj.obsolete?)
|
|
38
|
+
end
|
|
39
|
+
|
|
40
|
+
def test_names
|
|
41
|
+
expected = [ "alcohol dehydrogenase",
|
|
42
|
+
"aldehyde reductase",
|
|
43
|
+
"ADH",
|
|
44
|
+
"alcohol dehydrogenase (NAD)",
|
|
45
|
+
"aliphatic alcohol dehydrogenase",
|
|
46
|
+
"ethanol dehydrogenase",
|
|
47
|
+
"NAD-dependent alcohol dehydrogenase",
|
|
48
|
+
"NAD-specific aromatic alcohol dehydrogenase",
|
|
49
|
+
"NADH-alcohol dehydrogenase",
|
|
50
|
+
"NADH-aldehyde dehydrogenase",
|
|
51
|
+
"primary alcohol dehydrogenase",
|
|
52
|
+
"yeast alcohol dehydrogenase" ]
|
|
53
|
+
assert_equal(expected, @obj.names)
|
|
54
|
+
end
|
|
55
|
+
|
|
56
|
+
def test_name
|
|
57
|
+
assert_equal("alcohol dehydrogenase", @obj.name)
|
|
58
|
+
end
|
|
59
|
+
|
|
60
|
+
def test_classes
|
|
61
|
+
assert_equal([ "Oxidoreductases;",
|
|
62
|
+
"Acting on the CH-OH group of donors;",
|
|
63
|
+
"With NAD+ or NADP+ as acceptor" ], @obj.classes)
|
|
64
|
+
end
|
|
65
|
+
|
|
66
|
+
def test_sysname
|
|
67
|
+
assert_equal("alcohol:NAD+ oxidoreductase", @obj.sysname)
|
|
68
|
+
end
|
|
69
|
+
|
|
70
|
+
def test_reaction
|
|
71
|
+
expected = "an alcohol + NAD+ = an aldehyde or ketone + NADH + H+ [RN:R07326 R07327]"
|
|
72
|
+
assert_equal(expected, @obj.reaction)
|
|
73
|
+
end
|
|
74
|
+
|
|
75
|
+
def test_all_reac
|
|
76
|
+
expected = "R07326 > R00623 R00754 R02124 R04805 R04880 R05233 R05234 R06917 R06927 R08281 R08306 R08557 R08558; R07327 > R00624 R08310; (other) R07105"
|
|
77
|
+
assert_equal(expected, @obj.all_reac)
|
|
78
|
+
end
|
|
79
|
+
|
|
80
|
+
def test_iubmb_reactions
|
|
81
|
+
expected = [ "R07326 > R00623 R00754 R02124 R04805 R04880 R05233 R05234 R06917 R06927 R08281 R08306 R08557 R08558",
|
|
82
|
+
"R07327 > R00624 R08310" ]
|
|
83
|
+
assert_equal(expected, @obj.iubmb_reactions)
|
|
84
|
+
end
|
|
85
|
+
|
|
86
|
+
def test_kegg_reactions
|
|
87
|
+
assert_equal(["R07105"], @obj.kegg_reactions)
|
|
88
|
+
end
|
|
89
|
+
|
|
90
|
+
def test_substrates
|
|
91
|
+
expected = [ "alcohol [CPD:C00069]", "NAD+ [CPD:C00003]" ]
|
|
92
|
+
assert_equal(expected, @obj.substrates)
|
|
93
|
+
end
|
|
94
|
+
|
|
95
|
+
def test_products
|
|
96
|
+
expected = [ "aldehyde [CPD:C00071]",
|
|
97
|
+
"ketone [CPD:C01450]",
|
|
98
|
+
"NADH [CPD:C00004]",
|
|
99
|
+
"H+ [CPD:C00080]" ]
|
|
100
|
+
assert_equal(expected, @obj.products)
|
|
101
|
+
end
|
|
102
|
+
|
|
103
|
+
def test_inhibitors
|
|
104
|
+
assert_equal([], @obj.inhibitors)
|
|
105
|
+
end
|
|
106
|
+
|
|
107
|
+
def test_cofactors
|
|
108
|
+
assert_equal(["Zinc [CPD:C00038]"], @obj.cofactors)
|
|
109
|
+
end
|
|
110
|
+
|
|
111
|
+
def test_comment
|
|
112
|
+
expected = "A zinc protein. Acts on primary or secondary alcohols or hemi-acetals; the animal, but not the yeast, enzyme acts also on cyclic secondary alcohols."
|
|
113
|
+
assert_equal(expected, @obj.comment)
|
|
114
|
+
end
|
|
115
|
+
|
|
116
|
+
def test_pathways_as_strings
|
|
117
|
+
expected = [ "PATH: ec00010 Glycolysis / Gluconeogenesis",
|
|
118
|
+
"PATH: ec00071 Fatty acid metabolism",
|
|
119
|
+
"PATH: ec00260 Glycine, serine and threonine metabolism",
|
|
120
|
+
"PATH: ec00350 Tyrosine metabolism",
|
|
121
|
+
"PATH: ec00624 1- and 2-Methylnaphthalene degradation",
|
|
122
|
+
"PATH: ec00641 3-Chloroacrylic acid degradation",
|
|
123
|
+
"PATH: ec00830 Retinol metabolism",
|
|
124
|
+
"PATH: ec00980 Metabolism of xenobiotics by cytochrome P450",
|
|
125
|
+
"PATH: ec00982 Drug metabolism - cytochrome P450",
|
|
126
|
+
"PATH: ec01100 Metabolic pathways" ]
|
|
127
|
+
assert_equal(expected, @obj.pathways_as_strings)
|
|
128
|
+
end
|
|
129
|
+
|
|
130
|
+
def test_pathways_as_hash
|
|
131
|
+
expected = {
|
|
132
|
+
"ec01100" => "Metabolic pathways",
|
|
133
|
+
"ec00982" => "Drug metabolism - cytochrome P450",
|
|
134
|
+
"ec00641" => "3-Chloroacrylic acid degradation",
|
|
135
|
+
"ec00830" => "Retinol metabolism",
|
|
136
|
+
"ec00071" => "Fatty acid metabolism",
|
|
137
|
+
"ec00260" => "Glycine, serine and threonine metabolism",
|
|
138
|
+
"ec00624" => "1- and 2-Methylnaphthalene degradation",
|
|
139
|
+
"ec00350" => "Tyrosine metabolism",
|
|
140
|
+
"ec00010" => "Glycolysis / Gluconeogenesis",
|
|
141
|
+
"ec00980" => "Metabolism of xenobiotics by cytochrome P450"
|
|
142
|
+
}
|
|
143
|
+
assert_equal(expected, @obj.pathways_as_hash)
|
|
144
|
+
assert_equal(expected, @obj.pathways)
|
|
145
|
+
end
|
|
146
|
+
|
|
147
|
+
def test_orthologs_as_strings
|
|
148
|
+
expected = [ "KO: K00001 alcohol dehydrogenase",
|
|
149
|
+
"KO: K11440 choline dehydrogenase" ]
|
|
150
|
+
assert_equal(expected, @obj.orthologs_as_strings)
|
|
151
|
+
end
|
|
152
|
+
|
|
153
|
+
def test_orthologs_as_hash
|
|
154
|
+
expected = {
|
|
155
|
+
"K11440" => "choline dehydrogenase",
|
|
156
|
+
"K00001" => "alcohol dehydrogenase"
|
|
157
|
+
}
|
|
158
|
+
assert_equal(expected, @obj.orthologs_as_hash)
|
|
159
|
+
assert_equal(expected, @obj.orthologs)
|
|
160
|
+
end
|
|
161
|
+
|
|
162
|
+
def test_genes_as_strings
|
|
163
|
+
assert_equal(759, @obj.genes_as_strings.size)
|
|
164
|
+
assert_equal("0b01addd884266d7e80fdc34f112b9a89b90cc54",
|
|
165
|
+
Digest::SHA1.hexdigest(@obj.genes_as_strings.join("\n")))
|
|
166
|
+
end
|
|
167
|
+
|
|
168
|
+
def test_genes_as_hash
|
|
169
|
+
assert_equal(759, @obj.genes_as_hash.size)
|
|
170
|
+
assert_equal("025e77f866a7edb0eccaaabcff31df90d8e1fca1",
|
|
171
|
+
Digest::SHA1.hexdigest(@obj.genes_as_hash.keys.sort.join(";")))
|
|
172
|
+
assert_equal(["124", "125", "126", "127", "128", "130", "131"],
|
|
173
|
+
@obj.genes_as_hash['hsa'])
|
|
174
|
+
assert_equal(["BSU18430", "BSU26970", "BSU31050"],
|
|
175
|
+
@obj.genes_as_hash['bsu'])
|
|
176
|
+
assert_equal(["Tpen_1006", "Tpen_1516"],
|
|
177
|
+
@obj.genes_as_hash['tpe'])
|
|
178
|
+
end
|
|
179
|
+
|
|
180
|
+
def test_genes
|
|
181
|
+
assert_equal(759, @obj.genes.size)
|
|
182
|
+
assert_equal("025e77f866a7edb0eccaaabcff31df90d8e1fca1",
|
|
183
|
+
Digest::SHA1.hexdigest(@obj.genes.keys.sort.join(";")))
|
|
184
|
+
assert_equal(["124", "125", "126", "127", "128", "130", "131"],
|
|
185
|
+
@obj.genes['hsa'])
|
|
186
|
+
assert_equal(["BSU18430", "BSU26970", "BSU31050"],
|
|
187
|
+
@obj.genes['bsu'])
|
|
188
|
+
assert_equal(["Tpen_1006", "Tpen_1516"],
|
|
189
|
+
@obj.genes['tpe'])
|
|
190
|
+
end
|
|
191
|
+
|
|
192
|
+
def test_diseases
|
|
193
|
+
assert_equal([], @obj.diseases)
|
|
194
|
+
end
|
|
195
|
+
|
|
196
|
+
def test_motifs
|
|
197
|
+
assert_equal([], @obj.motifs)
|
|
198
|
+
end
|
|
199
|
+
|
|
200
|
+
def test_structures
|
|
201
|
+
expected = ["1A4U", "1A71", "1A72", "1ADB", "1ADC", "1ADF", "1ADG",
|
|
202
|
+
"1AGN", "1AXE", "1AXG", "1B14", "1B15", "1B16", "1B2L",
|
|
203
|
+
"1BTO", "1CDO", "1D1S", "1D1T", "1DEH", "1E3E", "1E3I",
|
|
204
|
+
"1E3L", "1EE2", "1H2B", "1HDX", "1HDY", "1HDZ", "1HET",
|
|
205
|
+
"1HEU", "1HF3", "1HLD", "1HSO", "1HSZ", "1HT0", "1HTB",
|
|
206
|
+
"1JU9", "1JVB", "1LDE", "1LDY", "1LLU", "1M6H", "1M6W",
|
|
207
|
+
"1MA0", "1MC5", "1MG0", "1MG5", "1MGO", "1MP0", "1N8K",
|
|
208
|
+
"1N92", "1NTO", "1NVG", "1O2D", "1P1R", "1QLH", "1QLJ",
|
|
209
|
+
"1QV6", "1QV7", "1R37", "1RJW", "1SBY", "1TEH", "1U3T",
|
|
210
|
+
"1U3U", "1U3V", "1U3W", "1VJ0", "1YE3", "2EER", "2FZE",
|
|
211
|
+
"2FZW", "2HCY", "2JHF", "2JHG", "2OHX", "2OXI", "3BTO",
|
|
212
|
+
"3COS", "3HUD", "3I4C", "5ADH", "6ADH", "7ADH"]
|
|
213
|
+
assert_equal(expected, @obj.structures)
|
|
214
|
+
end
|
|
215
|
+
|
|
216
|
+
def test_dblinks_as_strings
|
|
217
|
+
expected = [ "ExplorEnz - The Enzyme Database: 1.1.1.1",
|
|
218
|
+
"IUBMB Enzyme Nomenclature: 1.1.1.1",
|
|
219
|
+
"ExPASy - ENZYME nomenclature database: 1.1.1.1",
|
|
220
|
+
"UM-BBD (Biocatalysis/Biodegradation Database): 1.1.1.1",
|
|
221
|
+
"BRENDA, the Enzyme Database: 1.1.1.1",
|
|
222
|
+
"CAS: 9031-72-5" ]
|
|
223
|
+
assert_equal(expected, @obj.dblinks_as_strings)
|
|
224
|
+
end
|
|
225
|
+
|
|
226
|
+
def test_dblinks_as_hash
|
|
227
|
+
expected = {
|
|
228
|
+
"UM-BBD (Biocatalysis/Biodegradation Database)" => [ "1.1.1.1" ],
|
|
229
|
+
"ExPASy - ENZYME nomenclature database" => [ "1.1.1.1" ],
|
|
230
|
+
"IUBMB Enzyme Nomenclature" => [ "1.1.1.1" ],
|
|
231
|
+
"BRENDA, the Enzyme Database" => [ "1.1.1.1" ],
|
|
232
|
+
"ExplorEnz - The Enzyme Database" => [ "1.1.1.1" ],
|
|
233
|
+
"CAS" => [ "9031-72-5" ]
|
|
234
|
+
}
|
|
235
|
+
assert_equal(expected, @obj.dblinks_as_hash)
|
|
236
|
+
assert_equal(expected, @obj.dblinks)
|
|
237
|
+
end
|
|
238
|
+
|
|
239
|
+
end #class TestKeggEnzyme < Test::Unit::TestCase
|
|
240
|
+
end #module Bio
|
|
241
|
+
|