X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=forester%2Fjava%2Fsrc%2Forg%2Fforester%2Fsurfacing%2FSurfacingUtil.java;h=1774cc68b9a3b02ec8533c1ec880e333c8f803fd;hb=15f3c39fd477204175c0889f10b8c5e4271acf23;hp=2237717619a7324efdda5ee284db95f58e0ecabe;hpb=199313a125e18a6d86d4b78cdce838d79cf4f2bb;p=jalview.git diff --git a/forester/java/src/org/forester/surfacing/SurfacingUtil.java b/forester/java/src/org/forester/surfacing/SurfacingUtil.java index 2237717..1774cc6 100644 --- a/forester/java/src/org/forester/surfacing/SurfacingUtil.java +++ b/forester/java/src/org/forester/surfacing/SurfacingUtil.java @@ -58,6 +58,7 @@ import org.forester.evoinference.matrix.character.CharacterStateMatrix; import org.forester.evoinference.matrix.character.CharacterStateMatrix.BinaryStates; import org.forester.evoinference.matrix.character.CharacterStateMatrix.Format; import org.forester.evoinference.matrix.character.CharacterStateMatrix.GainLossStates; +import org.forester.evoinference.matrix.distance.BasicSymmetricalDistanceMatrix; import org.forester.evoinference.matrix.distance.DistanceMatrix; import org.forester.go.GoId; import org.forester.go.GoNameSpace; @@ -65,6 +66,7 @@ import org.forester.go.GoTerm; import org.forester.go.PfamToGoMapping; import org.forester.io.parsers.nexus.NexusConstants; import org.forester.io.writers.PhylogenyWriter; +import org.forester.msa.MsaCompactor.SORT_BY; import org.forester.phylogeny.Phylogeny; import org.forester.phylogeny.PhylogenyMethods; import org.forester.phylogeny.PhylogenyNode; @@ -72,6 +74,7 @@ import org.forester.phylogeny.PhylogenyNodeI.NH_CONVERSION_SUPPORT_VALUE_STYLE; import org.forester.phylogeny.data.BinaryCharacters; import org.forester.phylogeny.data.Confidence; import org.forester.phylogeny.iterators.PhylogenyNodeIterator; +import org.forester.protein.BasicDomain; import org.forester.protein.BasicProtein; import org.forester.protein.BinaryDomainCombination; import org.forester.protein.Domain; @@ -180,7 +183,8 @@ public final class SurfacingUtil { final String outfilename_for_ancestor_species_counts, final String outfilename_for_protein_stats, final Map protein_length_stats_by_dc, - final Map domain_number_stats_by_dc ) { + final Map domain_number_stats_by_dc, + final Map domain_length_stats_by_domain ) { try { // // if ( protein_length_stats_by_dc != null ) { @@ -227,6 +231,7 @@ public final class SurfacingUtil { final SortedMap domain_lists = new TreeMap(); final SortedMap dc_reapp_counts_to_protein_length_stats = new TreeMap(); final SortedMap dc_reapp_counts_to_domain_number_stats = new TreeMap(); + final SortedMap dc_reapp_counts_to_domain_lengths_stats = new TreeMap(); final SortedMap> domain_lists_go = new TreeMap>(); final SortedMap> domain_lists_go_unique = new TreeMap>(); final Set dcs = dc_gain_counts.keySet(); @@ -235,6 +240,10 @@ public final class SurfacingUtil { final DescriptiveStatistics gained_once_domain_count_stats = new BasicDescriptiveStatistics(); final DescriptiveStatistics gained_multiple_times_lengths_stats = new BasicDescriptiveStatistics(); final DescriptiveStatistics gained_multiple_times_domain_count_stats = new BasicDescriptiveStatistics(); + long gained_multiple_times_domain_length_sum = 0; + long gained_once_domain_length_sum = 0; + long gained_multiple_times_domain_length_count = 0; + long gained_once_domain_length_count = 0; for( final String dc : dcs ) { final int count = dc_gain_counts.get( dc ); if ( histogram.containsKey( count ) ) { @@ -267,38 +276,70 @@ public final class SurfacingUtil { dc_reapp_counts_to_domain_number_stats.get( count ).addValue( domain_number_stats_by_dc.get( dc ) .arithmeticMean() ); } + if ( domain_length_stats_by_domain != null ) { + if ( !dc_reapp_counts_to_domain_lengths_stats.containsKey( count ) ) { + dc_reapp_counts_to_domain_lengths_stats.put( count, new BasicDescriptiveStatistics() ); + } + final String[] ds = dc.split( "=" ); + dc_reapp_counts_to_domain_lengths_stats.get( count ).addValue( domain_length_stats_by_domain + .get( ds[ 0 ] ).arithmeticMean() ); + dc_reapp_counts_to_domain_lengths_stats.get( count ).addValue( domain_length_stats_by_domain + .get( ds[ 1 ] ).arithmeticMean() ); + } if ( count > 1 ) { more_than_once.add( dc ); if ( protein_length_stats_by_dc != null ) { final DescriptiveStatistics s = protein_length_stats_by_dc.get( dc ); - final double[] a = s.getDataAsDoubleArray(); - for( final double element : a ) { + for( final double element : s.getData() ) { gained_multiple_times_lengths_stats.addValue( element ); } } if ( domain_number_stats_by_dc != null ) { final DescriptiveStatistics s = domain_number_stats_by_dc.get( dc ); - final double[] a = s.getDataAsDoubleArray(); - for( final double element : a ) { + for( final double element : s.getData() ) { gained_multiple_times_domain_count_stats.addValue( element ); } } + if ( domain_length_stats_by_domain != null ) { + final String[] ds = dc.split( "=" ); + final DescriptiveStatistics s0 = domain_length_stats_by_domain.get( ds[ 0 ] ); + final DescriptiveStatistics s1 = domain_length_stats_by_domain.get( ds[ 1 ] ); + for( final double element : s0.getData() ) { + gained_multiple_times_domain_length_sum += element; + ++gained_multiple_times_domain_length_count; + } + for( final double element : s1.getData() ) { + gained_multiple_times_domain_length_sum += element; + ++gained_multiple_times_domain_length_count; + } + } } else { if ( protein_length_stats_by_dc != null ) { final DescriptiveStatistics s = protein_length_stats_by_dc.get( dc ); - final double[] a = s.getDataAsDoubleArray(); - for( final double element : a ) { + for( final double element : s.getData() ) { gained_once_lengths_stats.addValue( element ); } } if ( domain_number_stats_by_dc != null ) { final DescriptiveStatistics s = domain_number_stats_by_dc.get( dc ); - final double[] a = s.getDataAsDoubleArray(); - for( final double element : a ) { + for( final double element : s.getData() ) { gained_once_domain_count_stats.addValue( element ); } } + if ( domain_length_stats_by_domain != null ) { + final String[] ds = dc.split( "=" ); + final DescriptiveStatistics s0 = domain_length_stats_by_domain.get( ds[ 0 ] ); + final DescriptiveStatistics s1 = domain_length_stats_by_domain.get( ds[ 1 ] ); + for( final double element : s0.getData() ) { + gained_once_domain_length_sum += element; + ++gained_once_domain_length_count; + } + for( final double element : s1.getData() ) { + gained_once_domain_length_sum += element; + ++gained_once_domain_length_count; + } + } } } final Set histogram_keys = histogram.keySet(); @@ -322,7 +363,6 @@ public final class SurfacingUtil { out_dc.close(); out_dc_for_go_mapping.close(); out_dc_for_go_mapping_unique.close(); - // final SortedMap lca_rank_counts = new TreeMap(); final SortedMap lca_ancestor_species_counts = new TreeMap(); for( final String dc : more_than_once ) { @@ -335,7 +375,7 @@ public final class SurfacingUtil { } for( int i = 0; i < nodes.size() - 1; ++i ) { for( int j = i + 1; j < nodes.size(); ++j ) { - final PhylogenyNode lca = PhylogenyMethods.getInstance().obtainLCA( nodes.get( i ), + final PhylogenyNode lca = PhylogenyMethods.obtainLCA( nodes.get( i ), nodes.get( j ) ); String rank = "unknown"; if ( lca.getNodeData().isHasTaxonomy() @@ -369,15 +409,30 @@ public final class SurfacingUtil { out_for_rank_counts.close(); out_for_ancestor_species_counts.close(); if ( !ForesterUtil.isEmpty( outfilename_for_protein_stats ) - && ( ( protein_length_stats_by_dc != null ) || ( domain_number_stats_by_dc != null ) ) ) { + && ( ( domain_length_stats_by_domain != null ) || ( protein_length_stats_by_dc != null ) || ( domain_number_stats_by_dc != null ) ) ) { final BufferedWriter w = new BufferedWriter( new FileWriter( outfilename_for_protein_stats ) ); - w.write( "Lengths: " ); + w.write( "Domain Lengths: " ); + w.write( "\n" ); + if ( domain_length_stats_by_domain != null ) { + for( final Entry entry : dc_reapp_counts_to_domain_lengths_stats + .entrySet() ) { + w.write( entry.getKey().toString() ); + w.write( "\t" + entry.getValue().arithmeticMean() ); + w.write( "\t" + entry.getValue().median() ); + w.write( "\n" ); + } + } + w.flush(); + w.write( "\n" ); + w.write( "\n" ); + w.write( "Protein Lengths: " ); w.write( "\n" ); if ( protein_length_stats_by_dc != null ) { for( final Entry entry : dc_reapp_counts_to_protein_length_stats .entrySet() ) { w.write( entry.getKey().toString() ); - w.write( ": " + entry.getValue().arithmeticMean() ); + w.write( "\t" + entry.getValue().arithmeticMean() ); + w.write( "\t" + entry.getValue().median() ); w.write( "\n" ); } } @@ -390,13 +445,31 @@ public final class SurfacingUtil { for( final Entry entry : dc_reapp_counts_to_domain_number_stats .entrySet() ) { w.write( entry.getKey().toString() ); - w.write( ": " + entry.getValue().arithmeticMean() ); + w.write( "\t" + entry.getValue().arithmeticMean() ); + w.write( "\t" + entry.getValue().median() ); w.write( "\n" ); } } w.flush(); w.write( "\n" ); w.write( "\n" ); + w.write( "Gained once, domain lengths:" ); + w.write( "\n" ); + w.write( "N: " + gained_once_domain_length_count ); + w.write( "\n" ); + w.write( "Avg: " + ( ( double ) gained_once_domain_length_sum / gained_once_domain_length_count ) ); + w.write( "\n" ); + w.write( "\n" ); + w.write( "Gained multiple times, domain lengths:" ); + w.write( "\n" ); + w.write( "N: " + gained_multiple_times_domain_length_count ); + w.write( "\n" ); + w.write( "Avg: " + + ( ( double ) gained_multiple_times_domain_length_sum / gained_multiple_times_domain_length_count ) ); + w.write( "\n" ); + w.write( "\n" ); + w.write( "\n" ); + w.write( "\n" ); w.write( "Gained once, protein lengths:" ); w.write( "\n" ); w.write( gained_once_lengths_stats.toString() ); @@ -571,7 +644,7 @@ public final class SurfacingUtil { public static Phylogeny createNjTreeBasedOnMatrixToFile( final File nj_tree_outfile, final DistanceMatrix distance ) { checkForOutputFileWriteability( nj_tree_outfile ); final NeighborJoining nj = NeighborJoining.createInstance(); - final Phylogeny phylogeny = nj.execute( distance ); + final Phylogeny phylogeny = nj.execute( ( BasicSymmetricalDistanceMatrix ) distance ); phylogeny.setName( nj_tree_outfile.getName() ); writePhylogenyToFile( phylogeny, nj_tree_outfile.toString() ); return phylogeny; @@ -702,7 +775,8 @@ public final class SurfacingUtil { final List all_binary_domains_combination_lost_fitch, final BinaryDomainCombination.DomainCombinationType dc_type, final Map protein_length_stats_by_dc, - final Map domain_number_stats_by_dc ) { + final Map domain_number_stats_by_dc, + final Map domain_length_stats_by_domain ) { final String sep = ForesterUtil.LINE_SEPARATOR + "###################" + ForesterUtil.LINE_SEPARATOR; final String date_time = ForesterUtil.getCurrentDateTime(); final SortedSet all_pfams_encountered = new TreeSet(); @@ -932,7 +1006,8 @@ public final class SurfacingUtil { outfile_name + "_indep_dc_gains_fitch_lca_taxonomies.txt", outfile_name + "_indep_dc_gains_fitch_protein_statistics.txt", protein_length_stats_by_dc, - domain_number_stats_by_dc ); + domain_number_stats_by_dc, + domain_length_stats_by_domain ); } } @@ -1005,7 +1080,7 @@ public final class SurfacingUtil { + surfacing.INDEPENDENT_DC_GAINS_FITCH_PARS_DC_FOR_GO_MAPPING_MAPPED_OUTPUT_SUFFIX, outfile_name + surfacing.INDEPENDENT_DC_GAINS_FITCH_PARS_DC_FOR_GO_MAPPING_MAPPED_OUTPUT_UNIQUE_SUFFIX, outfile_name + "_MAPPED_indep_dc_gains_fitch_lca_ranks.txt", outfile_name - + "_MAPPED_indep_dc_gains_fitch_lca_taxonomies.txt", null, null, null ); + + "_MAPPED_indep_dc_gains_fitch_lca_taxonomies.txt", null, null, null, null ); } public static void doit( final List proteins, @@ -1118,16 +1193,44 @@ public final class SurfacingUtil { || protein.getSpecies().getSpeciesId().equalsIgnoreCase( limit_to_species ) ) { final List domains = protein.getProteinDomains( domain_id ); if ( domains.size() > 0 ) { - final DescriptiveStatistics stats = new BasicDescriptiveStatistics(); - for( final Domain domain : domains ) { - stats.addValue( domain.getPerSequenceEvalue() ); - } out.write( protein.getSpecies().getSpeciesId() ); out.write( separator ); out.write( protein.getProteinId().getId() ); out.write( separator ); - out.write( "[" + FORMATTER.format( stats.median() ) + "]" ); + out.write( domain_id.toString() ); out.write( separator ); + for( final Domain domain : domains ) { + out.write( "/" ); + out.write( domain.getFrom() + "-" + domain.getTo() ); + } + out.write( "/" ); + out.write( separator ); + + Domain domain_ary[] = new Domain[ protein.getProteinDomains().size() ]; + + for( int i = 0; i < protein.getProteinDomains().size(); ++i ) { + domain_ary[ i ] = protein.getProteinDomains().get( i ); + } + + Arrays.sort( domain_ary, new DomainComparator( false ) ); + + out.write( "{" ); + boolean first = true; + + for( final Domain domain : domain_ary ) { + if ( first ) { + first = false; + } + else { + out.write( "," ); + } + out.write( domain.getDomainId().toString() ); + out.write( ":" ); + out.write( domain.getFrom() ); + out.write( "-" ); + out.write( domain.getTo() ); + } + out.write( "}" ); if ( !( ForesterUtil.isEmpty( protein.getDescription() ) || protein.getDescription() .equals( SurfacingConstants.NONE ) ) ) { out.write( protein.getDescription() ); @@ -1867,181 +1970,6 @@ public final class SurfacingUtil { ForesterUtil.programMessage( surfacing.PRG_NAME, "Wrote characters detailed HTML list: \"" + filename + "\"" ); } - public static void writeBinaryStatesMatrixToListORIGIG( final Map> domain_id_to_go_ids_map, - final Map go_id_to_term_map, - final GoNameSpace go_namespace_limit, - final boolean domain_combinations, - final CharacterStateMatrix matrix, - final CharacterStateMatrix.GainLossStates state, - final String filename, - final String indentifier_characters_separator, - final String character_separator, - final String title_for_html, - final String prefix_for_html, - final Map>[] domain_id_to_secondary_features_maps, - final SortedSet all_pfams_encountered, - final SortedSet pfams_gained_or_lost, - final String suffix_for_per_node_events_file ) { - if ( ( go_namespace_limit != null ) && ( ( go_id_to_term_map == null ) || ( go_id_to_term_map.size() < 1 ) ) ) { - throw new IllegalArgumentException( "attempt to use GO namespace limit without a GO-id to term map" ); - } - else if ( ( ( domain_id_to_go_ids_map == null ) || ( domain_id_to_go_ids_map.size() < 1 ) ) ) { - throw new IllegalArgumentException( "attempt to output detailed HTML without a Pfam to GO map" ); - } - else if ( ( ( go_id_to_term_map == null ) || ( go_id_to_term_map.size() < 1 ) ) ) { - throw new IllegalArgumentException( "attempt to output detailed HTML without a GO-id to term map" ); - } - final File outfile = new File( filename ); - checkForOutputFileWriteability( outfile ); - final SortedSet sorted_ids = new TreeSet(); - for( int i = 0; i < matrix.getNumberOfIdentifiers(); ++i ) { - sorted_ids.add( matrix.getIdentifier( i ) ); - } - try { - final Writer out = new BufferedWriter( new FileWriter( outfile ) ); - final File per_node_go_mapped_domain_gain_loss_files_base_dir = createBaseDirForPerNodeDomainFiles( surfacing.BASE_DIRECTORY_PER_NODE_DOMAIN_GAIN_LOSS_FILES, - domain_combinations, - state, - filename ); - Writer per_node_go_mapped_domain_gain_loss_outfile_writer = null; - File per_node_go_mapped_domain_gain_loss_outfile = null; - int per_node_counter = 0; - out.write( "" ); - out.write( SurfacingConstants.NL ); - addHtmlHead( out, title_for_html ); - out.write( SurfacingConstants.NL ); - out.write( "" ); - out.write( SurfacingConstants.NL ); - out.write( "

" ); - out.write( SurfacingConstants.NL ); - out.write( title_for_html ); - out.write( SurfacingConstants.NL ); - out.write( "

" ); - out.write( SurfacingConstants.NL ); - out.write( "" ); - out.write( SurfacingConstants.NL ); - for( final String id : sorted_ids ) { - out.write( "" ); - out.write( "" ); - out.write( "" ); - out.write( SurfacingConstants.NL ); - } - out.write( "
" ); - out.write( "" + id + "" ); - writeTaxonomyLinks( out, id ); - out.write( "
" ); - out.write( SurfacingConstants.NL ); - for( final String id : sorted_ids ) { - out.write( SurfacingConstants.NL ); - out.write( "

" ); - out.write( "" + id + "" ); - writeTaxonomyLinks( out, id ); - out.write( "

" ); - out.write( SurfacingConstants.NL ); - out.write( "" ); - out.write( SurfacingConstants.NL ); - out.write( "" ); - out.write( "" ); - out.write( "" ); - out.write( SurfacingConstants.NL ); - out.write( "" ); - out.write( SurfacingConstants.NL ); - per_node_counter = 0; - if ( matrix.getNumberOfCharacters() > 0 ) { - per_node_go_mapped_domain_gain_loss_outfile = new File( per_node_go_mapped_domain_gain_loss_files_base_dir - + ForesterUtil.FILE_SEPARATOR + id + suffix_for_per_node_events_file ); - SurfacingUtil.checkForOutputFileWriteability( per_node_go_mapped_domain_gain_loss_outfile ); - per_node_go_mapped_domain_gain_loss_outfile_writer = ForesterUtil - .createBufferedWriter( per_node_go_mapped_domain_gain_loss_outfile ); - } - else { - per_node_go_mapped_domain_gain_loss_outfile = null; - per_node_go_mapped_domain_gain_loss_outfile_writer = null; - } - for( int c = 0; c < matrix.getNumberOfCharacters(); ++c ) { - // Not nice: - // using null to indicate either UNCHANGED_PRESENT or GAIN. - if ( ( matrix.getState( id, c ) == state ) - || ( ( state == null ) && ( ( matrix.getState( id, c ) == CharacterStateMatrix.GainLossStates.UNCHANGED_PRESENT ) || ( matrix - .getState( id, c ) == CharacterStateMatrix.GainLossStates.GAIN ) ) ) ) { - final String character = matrix.getCharacter( c ); - String domain_0 = ""; - String domain_1 = ""; - if ( character.indexOf( BinaryDomainCombination.SEPARATOR ) > 0 ) { - final String[] s = character.split( BinaryDomainCombination.SEPARATOR ); - if ( s.length != 2 ) { - throw new AssertionError( "this should not have happened: unexpected format for domain combination: [" - + character + "]" ); - } - domain_0 = s[ 0 ]; - domain_1 = s[ 1 ]; - } - else { - domain_0 = character; - } - writeDomainData( domain_id_to_go_ids_map, - go_id_to_term_map, - go_namespace_limit, - out, - domain_0, - domain_1, - prefix_for_html, - character_separator, - domain_id_to_secondary_features_maps, - null ); - all_pfams_encountered.add( domain_0 ); - if ( pfams_gained_or_lost != null ) { - pfams_gained_or_lost.add( domain_0 ); - } - if ( !ForesterUtil.isEmpty( domain_1 ) ) { - all_pfams_encountered.add( domain_1 ); - if ( pfams_gained_or_lost != null ) { - pfams_gained_or_lost.add( domain_1 ); - } - } - if ( per_node_go_mapped_domain_gain_loss_outfile_writer != null ) { - writeDomainsToIndividualFilePerTreeNode( per_node_go_mapped_domain_gain_loss_outfile_writer, - domain_0, - domain_1 ); - per_node_counter++; - } - } - } - if ( per_node_go_mapped_domain_gain_loss_outfile_writer != null ) { - per_node_go_mapped_domain_gain_loss_outfile_writer.close(); - if ( per_node_counter < 1 ) { - per_node_go_mapped_domain_gain_loss_outfile.delete(); - } - per_node_counter = 0; - } - out.write( "
" ); - out.write( "Pfam domain(s)" ); - out.write( "" ); - out.write( "GO term acc" ); - out.write( "" ); - out.write( "GO term" ); - out.write( "" ); - out.write( "Penultimate GO term" ); - out.write( "" ); - out.write( "GO namespace" ); - out.write( "
" ); - out.write( SurfacingConstants.NL ); - out.write( "
" ); - out.write( SurfacingConstants.NL ); - } // for( final String id : sorted_ids ) { - out.write( "" ); - out.write( SurfacingConstants.NL ); - out.write( "" ); - out.write( SurfacingConstants.NL ); - out.flush(); - out.close(); - } - catch ( final IOException e ) { - ForesterUtil.fatalError( surfacing.PRG_NAME, e.getMessage() ); - } - ForesterUtil.programMessage( surfacing.PRG_NAME, "Wrote characters detailed HTML list: \"" + filename + "\"" ); - } - public static void writeDomainCombinationsCountsFile( final String[][] input_file_properties, final File output_dir, final Writer per_genome_domain_promiscuity_statistics_writer, @@ -2693,4 +2621,32 @@ public final class SurfacingUtil { e.printStackTrace(); } } + + final static class DomainComparator implements Comparator { + + final private boolean _ascending; + + public DomainComparator( final boolean ascending ) { + _ascending = ascending; + } + + @Override + public final int compare( final Domain d0, final Domain d1 ) { + + if ( d0.getFrom() < d1.getFrom() ) { + return _ascending ? -1 : 1; + } + else if ( d0.getFrom() > d1.getFrom() ) { + return _ascending ? 1 : -1; + } + return 0; + + } + + } } + + + + +