X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=forester%2Fjava%2Fsrc%2Forg%2Fforester%2Fapplication%2Fsurfacing.java;h=2b5c7c4de89636f694bb760dbfd42224190fed21;hb=10297bd8b8a4b4ab198a17a42fc6ff24ae2ed49b;hp=66f1b8f83890a2a68e43b353d54b21bbfd83a260;hpb=bed9a6cae4c9343d079685de7cdf4496bcd64d1b;p=jalview.git diff --git a/forester/java/src/org/forester/application/surfacing.java b/forester/java/src/org/forester/application/surfacing.java index 66f1b8f..2b5c7c4 100644 --- a/forester/java/src/org/forester/application/surfacing.java +++ b/forester/java/src/org/forester/application/surfacing.java @@ -119,13 +119,13 @@ public class surfacing { // --- public final static String PRG_NAME = "surfacing"; public static final String DOMAINS_PARSIMONY_TREE_OUTPUT_SUFFIX_DOLLO = "_d_dollo" - + ForesterConstants.PHYLO_XML_SUFFIX; + + ForesterConstants.PHYLO_XML_SUFFIX; public static final String DOMAINS_PARSIMONY_TREE_OUTPUT_SUFFIX_FITCH = "_d_fitch" - + ForesterConstants.PHYLO_XML_SUFFIX; + + ForesterConstants.PHYLO_XML_SUFFIX; public static final String BINARY_DOMAIN_COMBINATIONS_PARSIMONY_TREE_OUTPUT_SUFFIX_DOLLO = "_dc_dollo" - + ForesterConstants.PHYLO_XML_SUFFIX; + + ForesterConstants.PHYLO_XML_SUFFIX; public static final String BINARY_DOMAIN_COMBINATIONS_PARSIMONY_TREE_OUTPUT_SUFFIX_FITCH = "_dc_fitch" - + ForesterConstants.PHYLO_XML_SUFFIX; + + ForesterConstants.PHYLO_XML_SUFFIX; public static final String NEXUS_EXTERNAL_DOMAINS = "_dom.nex"; public static final String NEXUS_EXTERNAL_DOMAIN_COMBINATIONS = "_dc.nex"; public static final String NEXUS_SECONDARY_FEATURES = "_secondary_features.nex"; @@ -135,7 +135,7 @@ public class surfacing { public static final String PARSIMONY_OUTPUT_DOLLO_LOSSES_SECONDARY_FEATURES = "_dollo_losses_secondary_features"; public static final String PARSIMONY_OUTPUT_DOLLO_PRESENT_SECONDARY_FEATURES = "_dollo_present_secondary_features"; public static final String SECONDARY_FEATURES_PARSIMONY_TREE_OUTPUT_SUFFIX_DOLLO = "_secondary_features_dollo" - + ForesterConstants.PHYLO_XML_SUFFIX; + + ForesterConstants.PHYLO_XML_SUFFIX; public static final String PARSIMONY_OUTPUT_DOLLO_ALL_GOID_D_ALL_NAMESPACES = "_dollo_goid_d"; public static final String PARSIMONY_OUTPUT_FITCH_ALL_GOID_BC_ALL_NAMESPACES = "_fitch_goid_dc"; final static private String HELP_OPTION_1 = "help"; @@ -178,7 +178,7 @@ public class surfacing { final static private String NO_ENGULFING_OVERLAP_OPTION = "no_eo"; final static private String IGNORE_COMBINATION_WITH_SAME_OPTION = "ignore_self_comb"; final static private String PERFORM_DC_REGAIN_PROTEINS_STATS_OPTION = "dc_regain_stats"; - final static private String DA_ANALYSIS_OPTION = "DA_analyis"; + final static private String DA_ANALYSIS_OPTION = "da_analyis"; final static private String USE_LAST_IN_FITCH_OPTION = "last"; public final static String PAIRWISE_DOMAIN_COMPARISONS_PREFIX = "pwc_"; final static private String PAIRWISE_DOMAIN_COMPARISONS_OPTION = "pwc"; @@ -204,19 +204,19 @@ public class surfacing { final static private String MATRIX_SHARED_DOMAINS_BASED_GENOME_DISTANCE_SUFFIX = "_domains.pwd"; final static private String MATRIX_SHARED_BIN_COMBINATIONS_BASED_GENOME_DISTANCE_SUFFIX = "_bin_combinations.pwd"; final static private String NJ_TREE_MEAN_SCORE_BASED_GENOME_DISTANCE_SUFFIX = "_mean_score_NJ" - + ForesterConstants.PHYLO_XML_SUFFIX; + + ForesterConstants.PHYLO_XML_SUFFIX; final static private String NJ_TREE_SHARED_DOMAINS_BASED_GENOME_DISTANCE_SUFFIX = "_domains_NJ" - + ForesterConstants.PHYLO_XML_SUFFIX; + + ForesterConstants.PHYLO_XML_SUFFIX; final static private String NJ_TREE_SHARED_BIN_COMBINATIONS_BASED_GENOME_DISTANCE_SUFFIX = "_bin_combinations_NJ" - + ForesterConstants.PHYLO_XML_SUFFIX; + + ForesterConstants.PHYLO_XML_SUFFIX; final static private String FILTER_POSITIVE_OPTION = "pos_filter"; final static private String FILTER_NEGATIVE_OPTION = "neg_filter"; final static private String FILTER_NEGATIVE_DOMAINS_OPTION = "neg_dom_filter"; final static private String INPUT_GENOMES_FILE_OPTION = "genomes"; final static private String INPUT_SPECIES_TREE_OPTION = "species_tree"; final static private String SEQ_EXTRACT_OPTION = "prot_extract"; - final static private String PRG_VERSION = "2.403"; - final static private String PRG_DATE = "131127"; + final static private String PRG_VERSION = "2.404"; + final static private String PRG_DATE = "140709"; final static private String E_MAIL = "czmasek@burnham.org"; final static private String WWW = "https://sites.google.com/site/cmzmasek/home/software/forester/surfacing"; final static private boolean IGNORE_DUFS_DEFAULT = true; @@ -241,7 +241,7 @@ public class surfacing { private static final String OUTPUT_DOMAIN_COMBINATIONS_GAINED_MORE_THAN_ONCE_ANALYSIS_SUFFIX = "_fitch_dc_gains_counts"; private static final String OUTPUT_DOMAIN_COMBINATIONS_LOST_MORE_THAN_ONCE_ANALYSIS_SUFFIX = "_fitch_dc_losses_counts"; private static final String DOMAIN_LENGTHS_ANALYSIS_SUFFIX = "_domain_lengths_analysis"; - private static final boolean PERFORM_DOMAIN_LENGTH_ANALYSIS = true; + private static final String PERFORM_DOMAIN_LENGTH_ANALYSIS_OPTION = "dla"; public static final String ALL_PFAMS_ENCOUNTERED_SUFFIX = "_all_encountered_pfams"; public static final String ALL_PFAMS_ENCOUNTERED_WITH_GO_ANNOTATION_SUFFIX = "_all_encountered_pfams_with_go_annotation"; public static final String ENCOUNTERED_PFAMS_SUMMARY_SUFFIX = "_encountered_pfams_summary"; @@ -264,7 +264,7 @@ public class surfacing { public static final String INDEPENDENT_DC_GAINS_FITCH_PARS_DC_FOR_GO_MAPPING_OUTPUT_UNIQUE_SUFFIX = "_indep_dc_gains_fitch_lists_for_go_mapping_unique.txt"; public static final String LIMIT_SPEC_FOR_PROT_EX = null; // e.g. "HUMAN"; set to null for not using this feature (default). public static final String BINARY_DOMAIN_COMBINATIONS_PARSIMONY_TREE_OUTPUT_SUFFIX_FITCH_MAPPED = "_dc_MAPPED_secondary_features_fitch" - + ForesterConstants.PHYLO_XML_SUFFIX; + + ForesterConstants.PHYLO_XML_SUFFIX; public static final String INDEPENDENT_DC_GAINS_FITCH_PARS_COUNTS_MAPPED_OUTPUT_SUFFIX = "_indep_dc_gains_fitch_counts_MAPPED.txt"; public static final String INDEPENDENT_DC_GAINS_FITCH_PARS_DC_MAPPED_OUTPUT_SUFFIX = "_indep_dc_gains_fitch_lists_MAPPED.txt"; public static final String INDEPENDENT_DC_GAINS_FITCH_PARS_DC_FOR_GO_MAPPING_MAPPED_OUTPUT_SUFFIX = "_indep_dc_gains_fitch_lists_for_go_mapping_MAPPED.txt"; @@ -345,6 +345,7 @@ public class surfacing { allowed_options.add( DA_ANALYSIS_OPTION ); allowed_options.add( USE_LAST_IN_FITCH_OPTION ); allowed_options.add( PERFORM_DC_FITCH ); + allowed_options.add( PERFORM_DOMAIN_LENGTH_ANALYSIS_OPTION ); boolean ignore_dufs = surfacing.IGNORE_DUFS_DEFAULT; boolean ignore_combination_with_same = surfacing.IGNORE_COMBINATION_WITH_SAME_DEFAULLT; double fs_e_value_max = surfacing.MAX_E_VALUE_DEFAULT; @@ -378,9 +379,9 @@ public class surfacing { if ( cla.isOptionSet( DOMAIN_COMBINITONS_OUTPUT_OPTION_FOR_GRAPH_ANALYSIS ) ) { output_binary_domain_combinationsfor_graph_analysis = true; } - final boolean output_binary_domain_combinationsfor_counts = false; + boolean output_binary_domain_combinationsfor_counts = false; if ( cla.isOptionSet( DOMAIN_COMBINITONS_COUNTS_OUTPUT_OPTION ) ) { - output_binary_domain_combinationsfor_graph_analysis = true; + output_binary_domain_combinationsfor_counts = true; } if ( cla.isOptionSet( surfacing.MAX_FS_E_VALUE_OPTION ) ) { try { @@ -420,6 +421,10 @@ public class surfacing { if ( cla.isOptionSet( surfacing.IGNORE_COMBINATION_WITH_SAME_OPTION ) ) { ignore_combination_with_same = true; } + boolean domain_length_analysis = false; + if ( cla.isOptionSet( surfacing.PERFORM_DOMAIN_LENGTH_ANALYSIS_OPTION ) ) { + domain_length_analysis = true; + } boolean ignore_domains_without_combs_in_all_spec = IGNORE_DOMAINS_WITHOUT_COMBINATIONS_IN_ALL_SPECIES_DEFAULT; if ( cla.isOptionSet( surfacing.IGNORE_DOMAINS_WITHOUT_COMBINATIONS_IN_ALL_SPECIES_OPTION ) ) { ignore_domains_without_combs_in_all_spec = true; @@ -500,8 +505,8 @@ public class surfacing { && ( cla.isOptionSet( surfacing.FILTER_NEGATIVE_OPTION ) || cla .isOptionSet( surfacing.FILTER_POSITIVE_OPTION ) ) ) { ForesterUtil - .fatalError( surfacing.PRG_NAME, - "attempt to use both negative or positive protein filter together wirh a negative domains filter" ); + .fatalError( surfacing.PRG_NAME, + "attempt to use both negative or positive protein filter together wirh a negative domains filter" ); } if ( cla.isOptionSet( surfacing.FILTER_NEGATIVE_OPTION ) ) { if ( !cla.isOptionValueSet( surfacing.FILTER_NEGATIVE_OPTION ) ) { @@ -536,7 +541,7 @@ public class surfacing { final String msg = ForesterUtil.isReadableFile( negative_domains_filter_file ); if ( !ForesterUtil.isEmpty( msg ) ) { ForesterUtil.fatalError( surfacing.PRG_NAME, "can not read from \"" + negative_domains_filter_file - + "\": " + msg ); + + "\": " + msg ); } } final List plus_minus_analysis_high_copy_base_species = new ArrayList(); @@ -558,7 +563,7 @@ public class surfacing { final String msg = ForesterUtil.isReadableFile( input_genomes_file ); if ( !ForesterUtil.isEmpty( msg ) ) { ForesterUtil - .fatalError( surfacing.PRG_NAME, "can not read from \"" + input_genomes_file + "\": " + msg ); + .fatalError( surfacing.PRG_NAME, "can not read from \"" + input_genomes_file + "\": " + msg ); } } else { @@ -587,9 +592,9 @@ public class surfacing { } else { ForesterUtil.fatalError( surfacing.PRG_NAME, "unknown value \"" + scoring_str - + "\" for scoring method for domain combinations similarity calculation: \"-" - + surfacing.SCORING_OPTION + "=<" + surfacing.SCORING_DOMAIN_COUNT_BASED + "|" - + surfacing.SCORING_PROTEIN_COUNT_BASED + "|" + surfacing.SCORING_COMBINATION_BASED + ">\"" ); + + "\" for scoring method for domain combinations similarity calculation: \"-" + + surfacing.SCORING_OPTION + "=<" + surfacing.SCORING_DOMAIN_COUNT_BASED + "|" + + surfacing.SCORING_PROTEIN_COUNT_BASED + "|" + surfacing.SCORING_COMBINATION_BASED + ">\"" ); } } boolean sort_by_species_count_first = false; @@ -655,10 +660,10 @@ public class surfacing { if ( cla.isOptionSet( surfacing.SEQ_EXTRACT_OPTION ) ) { if ( !cla.isOptionValueSet( surfacing.SEQ_EXTRACT_OPTION ) ) { ForesterUtil - .fatalError( surfacing.PRG_NAME, - "no domain ids given for sequences with given domains to be extracted : -" - + surfacing.SEQ_EXTRACT_OPTION - + "=" ); + .fatalError( surfacing.PRG_NAME, + "no domain ids given for sequences with given domains to be extracted : -" + + surfacing.SEQ_EXTRACT_OPTION + + "=" ); } query_domain_ids = cla.getOptionValue( surfacing.SEQ_EXTRACT_OPTION ); } @@ -714,14 +719,14 @@ public class surfacing { } else { ForesterUtil.fatalError( surfacing.PRG_NAME, "unknown value \"" + sort_str - + "\" for domain combinations similarities sorting: \"-" - + surfacing.DOMAIN_SIMILARITY_SORT_OPTION + "=<" + surfacing.DOMAIN_SIMILARITY_SORT_ALPHA + "|" - + surfacing.DOMAIN_SIMILARITY_SORT_MAX + "|" + surfacing.DOMAIN_SIMILARITY_SORT_MIN + "|" - + surfacing.DOMAIN_SIMILARITY_SORT_MEAN + "|" + surfacing.DOMAIN_SIMILARITY_SORT_DIFF + "|" - + surfacing.DOMAIN_SIMILARITY_SORT_ABS_COUNTS_DIFF + "|" - + surfacing.DOMAIN_SIMILARITY_SORT_COUNTS_DIFF + "|" + "|" - + surfacing.DOMAIN_SIMILARITY_SORT_SPECIES_COUNT + "|" + surfacing.DOMAIN_SIMILARITY_SORT_SD - + ">\"" ); + + "\" for domain combinations similarities sorting: \"-" + + surfacing.DOMAIN_SIMILARITY_SORT_OPTION + "=<" + surfacing.DOMAIN_SIMILARITY_SORT_ALPHA + "|" + + surfacing.DOMAIN_SIMILARITY_SORT_MAX + "|" + surfacing.DOMAIN_SIMILARITY_SORT_MIN + "|" + + surfacing.DOMAIN_SIMILARITY_SORT_MEAN + "|" + surfacing.DOMAIN_SIMILARITY_SORT_DIFF + "|" + + surfacing.DOMAIN_SIMILARITY_SORT_ABS_COUNTS_DIFF + "|" + + surfacing.DOMAIN_SIMILARITY_SORT_COUNTS_DIFF + "|" + "|" + + surfacing.DOMAIN_SIMILARITY_SORT_SPECIES_COUNT + "|" + surfacing.DOMAIN_SIMILARITY_SORT_SD + + ">\"" ); } } DomainSimilarity.PRINT_OPTION domain_similarity_print_option = DOMAIN_SIMILARITY_PRINT_OPTION_DEFAULT; @@ -773,10 +778,10 @@ public class surfacing { } else { ForesterUtil.fatalError( surfacing.PRG_NAME, "unknown value \"" + sort - + "\" for sorting of domain counts: \"-" + surfacing.DOMAIN_COUNT_SORT_OPTION + "=<" - + surfacing.DOMAIN_COUNT_SORT_ALPHA + "|" + surfacing.DOMAIN_COUNT_SORT_KEY_DOMAIN_COUNT + "|" - + surfacing.DOMAIN_COUNT_SORT_KEY_DOMAIN_PROTEINS_COUNT + "|" - + surfacing.DOMAIN_COUNT_SORT_COMBINATIONS_COUNT + ">\"" ); + + "\" for sorting of domain counts: \"-" + surfacing.DOMAIN_COUNT_SORT_OPTION + "=<" + + surfacing.DOMAIN_COUNT_SORT_ALPHA + "|" + surfacing.DOMAIN_COUNT_SORT_KEY_DOMAIN_COUNT + "|" + + surfacing.DOMAIN_COUNT_SORT_KEY_DOMAIN_PROTEINS_COUNT + "|" + + surfacing.DOMAIN_COUNT_SORT_COMBINATIONS_COUNT + ">\"" ); } } final String[][] input_file_properties = SurfacingUtil.processInputGenomesFile( input_genomes_file ); @@ -801,62 +806,56 @@ public class surfacing { } SurfacingUtil.checkForOutputFileWriteability( dcc_outfile ); } - File pfam_to_go_file = null; - Map> domain_id_to_go_ids_map = null; - int domain_id_to_go_ids_count = 0; + File pfam_to_go_file = new File( "pfam2go.txt" ); if ( cla.isOptionSet( surfacing.PFAM_TO_GO_FILE_USE_OPTION ) ) { if ( !cla.isOptionValueSet( surfacing.PFAM_TO_GO_FILE_USE_OPTION ) ) { ForesterUtil.fatalError( surfacing.PRG_NAME, "no value for Pfam to GO mapping file: -" + surfacing.PFAM_TO_GO_FILE_USE_OPTION + "=" ); } pfam_to_go_file = new File( cla.getOptionValue( surfacing.PFAM_TO_GO_FILE_USE_OPTION ) ); - final String error = ForesterUtil.isReadableFile( pfam_to_go_file ); - if ( !ForesterUtil.isEmpty( error ) ) { - ForesterUtil.fatalError( surfacing.PRG_NAME, "cannot read Pfam to GO mapping file: " + error ); - } - try { - final PfamToGoParser parser = new PfamToGoParser( pfam_to_go_file ); - final List pfam_to_go_mappings = parser.parse(); - domain_id_to_go_ids_map = SurfacingUtil.createDomainIdToGoIdMap( pfam_to_go_mappings ); - if ( parser.getMappingCount() < domain_id_to_go_ids_map.size() ) { - ForesterUtil.unexpectedFatalError( surfacing.PRG_NAME, - "parser.getMappingCount() < domain_id_to_go_ids_map.size()" ); - } - domain_id_to_go_ids_count = parser.getMappingCount(); - } - catch ( final IOException e ) { - ForesterUtil.fatalError( surfacing.PRG_NAME, "cannot read from Pfam to GO mapping file: " + e ); + } + final String error1 = ForesterUtil.isReadableFile( pfam_to_go_file ); + if ( !ForesterUtil.isEmpty( error1 ) ) { + ForesterUtil.fatalError( surfacing.PRG_NAME, "cannot read Pfam to GO mapping file: " + error1 ); + } + Map> domain_id_to_go_ids_map = null; + int domain_id_to_go_ids_count = 0; + try { + final PfamToGoParser parser = new PfamToGoParser( pfam_to_go_file ); + final List pfam_to_go_mappings = parser.parse(); + domain_id_to_go_ids_map = SurfacingUtil.createDomainIdToGoIdMap( pfam_to_go_mappings ); + if ( parser.getMappingCount() < domain_id_to_go_ids_map.size() ) { + ForesterUtil.unexpectedFatalError( surfacing.PRG_NAME, + "parser.getMappingCount() < domain_id_to_go_ids_map.size()" ); } + domain_id_to_go_ids_count = parser.getMappingCount(); } - File go_obo_file = null; - List go_terms = null; + catch ( final IOException e ) { + ForesterUtil.fatalError( surfacing.PRG_NAME, "cannot read from Pfam to GO mapping file: " + e ); + } + File go_obo_file = new File( "go.obo" ); if ( cla.isOptionSet( surfacing.GO_OBO_FILE_USE_OPTION ) ) { if ( !cla.isOptionValueSet( surfacing.GO_OBO_FILE_USE_OPTION ) ) { ForesterUtil.fatalError( surfacing.PRG_NAME, "no value for GO OBO file: -" + surfacing.GO_OBO_FILE_USE_OPTION + "=" ); } - if ( ( domain_id_to_go_ids_map == null ) || ( domain_id_to_go_ids_map.size() < 1 ) ) { - ForesterUtil.fatalError( surfacing.PRG_NAME, "cannot use GO OBO file (-" - + surfacing.GO_OBO_FILE_USE_OPTION + "=) without Pfam to GO mapping file (" - + surfacing.PFAM_TO_GO_FILE_USE_OPTION + "=)" ); - } go_obo_file = new File( cla.getOptionValue( surfacing.GO_OBO_FILE_USE_OPTION ) ); - final String error = ForesterUtil.isReadableFile( go_obo_file ); - if ( !ForesterUtil.isEmpty( error ) ) { - ForesterUtil.fatalError( surfacing.PRG_NAME, "cannot read GO OBO file: " + error ); - } - try { - final OBOparser parser = new OBOparser( go_obo_file, OBOparser.ReturnType.BASIC_GO_TERM ); - go_terms = parser.parse(); - if ( parser.getGoTermCount() != go_terms.size() ) { - ForesterUtil - .unexpectedFatalError( surfacing.PRG_NAME, "parser.getGoTermCount() != go_terms.size()" ); - } - } - catch ( final IOException e ) { - ForesterUtil.fatalError( surfacing.PRG_NAME, "cannot read from GO OBO file: " + e ); + } + final String error2 = ForesterUtil.isReadableFile( go_obo_file ); + if ( !ForesterUtil.isEmpty( error2 ) ) { + ForesterUtil.fatalError( surfacing.PRG_NAME, "cannot read GO OBO file: " + error2 ); + } + List go_terms = null; + try { + final OBOparser parser = new OBOparser( go_obo_file, OBOparser.ReturnType.BASIC_GO_TERM ); + go_terms = parser.parse(); + if ( parser.getGoTermCount() != go_terms.size() ) { + ForesterUtil.unexpectedFatalError( surfacing.PRG_NAME, "parser.getGoTermCount() != go_terms.size()" ); } } + catch ( final IOException e ) { + ForesterUtil.fatalError( surfacing.PRG_NAME, "cannot read from GO OBO file: " + e ); + } Map go_id_to_term_map = null; if ( ( ( domain_id_to_go_ids_map != null ) && ( domain_id_to_go_ids_map.size() > 0 ) ) && ( ( go_terms != null ) && ( go_terms.size() > 0 ) ) ) { @@ -890,10 +889,10 @@ public class surfacing { } else { ForesterUtil.fatalError( surfacing.PRG_NAME, "unknown value \"" + go_namespace_limit_str - + "\" for GO namespace limit: \"-" + surfacing.GO_NAMESPACE_LIMIT_OPTION + "=<" - + surfacing.GO_NAMESPACE_LIMIT_OPTION_MOLECULAR_FUNCTION + "|" - + surfacing.GO_NAMESPACE_LIMIT_OPTION_BIOLOGICAL_PROCESS + "|" - + surfacing.GO_NAMESPACE_LIMIT_OPTION_CELLULAR_COMPONENT + ">\"" ); + + "\" for GO namespace limit: \"-" + surfacing.GO_NAMESPACE_LIMIT_OPTION + "=<" + + surfacing.GO_NAMESPACE_LIMIT_OPTION_MOLECULAR_FUNCTION + "|" + + surfacing.GO_NAMESPACE_LIMIT_OPTION_BIOLOGICAL_PROCESS + "|" + + surfacing.GO_NAMESPACE_LIMIT_OPTION_CELLULAR_COMPONENT + ">\"" ); } } if ( ( domain_similarity_sort_field == DomainSimilarity.DomainSimilaritySortField.MAX_COUNTS_DIFFERENCE ) @@ -962,8 +961,8 @@ public class surfacing { Map>[] domain_id_to_secondary_features_maps = null; File[] secondary_features_map_files = null; final File domain_lengths_analysis_outfile = new File( out_dir + ForesterUtil.FILE_SEPARATOR + output_file - + DOMAIN_LENGTHS_ANALYSIS_SUFFIX ); - if ( PERFORM_DOMAIN_LENGTH_ANALYSIS ) { + + DOMAIN_LENGTHS_ANALYSIS_SUFFIX ); + if ( domain_length_analysis ) { SurfacingUtil.checkForOutputFileWriteability( domain_lengths_analysis_outfile ); } if ( cla.isOptionSet( surfacing.SECONDARY_FEATURES_PARSIMONY_MAP_FILE ) ) { @@ -1021,21 +1020,21 @@ public class surfacing { if ( positive_filter_file != null ) { final int filter_size = filter.size(); System.out.println( "Positive protein filter : " + positive_filter_file + " [" + filter_size - + " domain ids]" ); + + " domain ids]" ); html_desc.append( "Positive protein filter:" + positive_filter_file + " [" + filter_size - + " domain ids]" + nl ); + + " domain ids]" + nl ); } if ( negative_filter_file != null ) { final int filter_size = filter.size(); System.out.println( "Negative protein filter : " + negative_filter_file + " [" + filter_size - + " domain ids]" ); + + " domain ids]" ); html_desc.append( "Negative protein filter:" + negative_filter_file + " [" + filter_size - + " domain ids]" + nl ); + + " domain ids]" + nl ); } if ( negative_domains_filter_file != null ) { final int filter_size = filter.size(); System.out.println( "Negative domain filter : " + negative_domains_filter_file + " [" + filter_size - + " domain ids]" ); + + " domain ids]" ); html_desc.append( "Negative domain filter:" + negative_domains_filter_file + " [" + filter_size + " domain ids]" + nl ); } @@ -1054,7 +1053,7 @@ public class surfacing { } System.out.println( "Plus-minus analysis : " + plus1 + "&& " + plus0 + "&& " + minus ); html_desc.append( "Plus-minus analysis:" + plus1 + "&& " + plus0 + "&& " + minus - + "" + nl ); + + "" + nl ); } if ( cutoff_scores_file != null ) { System.out.println( "Cutoff scores file : " + cutoff_scores_file ); @@ -1087,16 +1086,16 @@ public class surfacing { if ( no_engulfing_overlaps ) { System.out.println( "Ignore engulfed domains : " + no_engulfing_overlaps ); html_desc.append( "Ignore (lower confidence) engulfed domains:" + no_engulfing_overlaps - + "" + nl ); + + "" + nl ); } System.out.println( "Ignore singlet domains : " + ignore_domains_without_combs_in_all_spec ); html_desc - .append( "Ignore singlet domains for domain combination similarity analyses (not for parsimony analyses):" - + ignore_domains_without_combs_in_all_spec + "" + nl ); + .append( "Ignore singlet domains for domain combination similarity analyses (not for parsimony analyses):" + + ignore_domains_without_combs_in_all_spec + "" + nl ); System.out.println( "Ignore species specific doms: " + ignore_species_specific_domains ); html_desc - .append( "Ignore species specific domains for domain combination similarity analyses (not for parsimony analyses):" - + ignore_species_specific_domains + "" + nl ); + .append( "Ignore species specific domains for domain combination similarity analyses (not for parsimony analyses):" + + ignore_species_specific_domains + "" + nl ); System.out.println( "Ignore combination with self: " + ignore_combination_with_same ); html_desc.append( "Ignore combination with self for domain combination similarity analyses:" + ignore_combination_with_same + "" + nl ); @@ -1116,14 +1115,14 @@ public class surfacing { if ( perform_dc_fich ) { System.out.println( "Use last in Fitch parsimony : " + use_last_in_fitch_parsimony ); html_desc.append( "Use last in Fitch parsimony:" + use_last_in_fitch_parsimony - + "" + nl ); + + "" + nl ); } System.out.println( "Write to Nexus files : " + write_to_nexus ); html_desc.append( "Write to Nexus files:" + write_to_nexus + "" + nl ); if ( perform_dc_fich ) { System.out.println( "DC regain prot stats : " + perform_dc_regain_proteins_stats ); html_desc.append( "DC regain prot stats:" + perform_dc_regain_proteins_stats - + "" + nl ); + + "" + nl ); } System.out.println( "DA analysis : " + da_analysis ); html_desc.append( "DA analysis :" + da_analysis + "" + nl ); @@ -1151,7 +1150,7 @@ public class surfacing { } if ( domain_id_to_go_ids_map != null ) { System.out.println( "Pfam to GO mappings from : " + pfam_to_go_file + " [" + domain_id_to_go_ids_count - + " mappings]" ); + + " mappings]" ); html_desc.append( "Pfam to GO mappings from:" + pfam_to_go_file + " [" + domain_id_to_go_ids_count + " mappings]" + "" + nl ); } @@ -1167,7 +1166,7 @@ public class surfacing { if ( perform_pwc ) { System.out.println( "Suffix for PWC files : " + automated_pairwise_comparison_suffix ); html_desc.append( "Suffix for PWC files" + automated_pairwise_comparison_suffix - + "" + nl ); + + "" + nl ); } if ( out_dir != null ) { System.out.println( "Output directory : " + out_dir ); @@ -1304,14 +1303,14 @@ public class surfacing { break; default: ForesterUtil - .unexpectedFatalError( surfacing.PRG_NAME, "unknown value for sorting for similarities" ); + .unexpectedFatalError( surfacing.PRG_NAME, "unknown value for sorting for similarities" ); } System.out.println(); html_desc.append( "" + nl ); if ( ( intrees != null ) && ( intrees.length > 0 ) ) { for( final File intree_file : intree_files ) { html_desc.append( "Intree for gain/loss parsimony analysis:" + intree_file - + "" + nl ); + + "" + nl ); System.out.println( " Intree for gain/loss pars.: " + intree_file ); } } @@ -1344,7 +1343,7 @@ public class surfacing { } // if ( perform_pwc ) { System.out.println(); html_desc.append( "Command line:" + nl + nl + cla.getCommandLineArgsAsString() + nl + nl - + "" + nl ); + + "" + nl ); System.out.println( "Command line : " + cla.getCommandLineArgsAsString() ); BufferedWriter[] query_domains_writer_ary = null; List[] query_domain_ids_array = null; @@ -1391,9 +1390,8 @@ public class surfacing { all_bin_domain_combinations_gained_fitch = new ArrayList(); all_bin_domain_combinations_lost_fitch = new ArrayList(); } - DomainLengthsTable domain_lengths_table = new DomainLengthsTable(); final File per_genome_domain_promiscuity_statistics_file = new File( out_dir + ForesterUtil.FILE_SEPARATOR - + output_file + D_PROMISCUITY_FILE_SUFFIX ); + + output_file + D_PROMISCUITY_FILE_SUFFIX ); BufferedWriter per_genome_domain_promiscuity_statistics_writer = null; try { per_genome_domain_promiscuity_statistics_writer = new BufferedWriter( new FileWriter( per_genome_domain_promiscuity_statistics_file ) ); @@ -1427,8 +1425,8 @@ public class surfacing { catch ( final IOException e2 ) { ForesterUtil.fatalError( surfacing.PRG_NAME, e2.getMessage() ); } - final DescriptiveStatistics protein_coverage_stats = new BasicDescriptiveStatistics(); - final DescriptiveStatistics all_genomes_domains_per_potein_stats = new BasicDescriptiveStatistics(); + DescriptiveStatistics protein_coverage_stats = new BasicDescriptiveStatistics(); + DescriptiveStatistics all_genomes_domains_per_potein_stats = new BasicDescriptiveStatistics(); final SortedMap all_genomes_domains_per_potein_histo = new TreeMap(); final SortedSet domains_which_are_always_single = new TreeSet(); final SortedSet domains_which_are_sometimes_single_sometimes_not = new TreeSet(); @@ -1436,7 +1434,7 @@ public class surfacing { BufferedWriter domains_per_potein_stats_writer = null; try { domains_per_potein_stats_writer = new BufferedWriter( new FileWriter( out_dir + ForesterUtil.FILE_SEPARATOR - + output_file + "_domains_per_potein_stats.txt" ) ); + + output_file + "_domains_per_potein_stats.txt" ) ); domains_per_potein_stats_writer.write( "Genome" ); domains_per_potein_stats_writer.write( "\t" ); domains_per_potein_stats_writer.write( "Mean" ); @@ -1462,6 +1460,10 @@ public class surfacing { protein_length_stats_by_dc = new HashMap(); domain_number_stats_by_dc = new HashMap(); } + DomainLengthsTable domain_lengths_table = null; + if ( domain_length_analysis ) { + domain_lengths_table = new DomainLengthsTable(); + } // Main loop: final SortedMap> distinct_domain_architecutures_per_genome = new TreeMap>(); final SortedMap distinct_domain_architecuture_counts = new TreeMap(); @@ -1553,8 +1555,8 @@ public class surfacing { System.out.println( "Coverage : " + ForesterUtil.roundToInt( 100.0 * coverage ) + "%" ); SurfacingUtil.log( "Coverage : " - + ForesterUtil.roundToInt( 100.0 * coverage ) + "%", - log_writer ); + + ForesterUtil.roundToInt( 100.0 * coverage ) + "%", + log_writer ); System.out.println( "Domains encountered : " + parser.getDomainsEncountered() ); SurfacingUtil.log( "Domains encountered : " + parser.getDomainsEncountered(), log_writer ); @@ -1568,53 +1570,53 @@ public class surfacing { System.out.println( "Domains ignored due to individual score cutoffs: " + parser.getDomainsIgnoredDueToIndividualScoreCutoff() ); SurfacingUtil.log( "Domains ignored due to individual score cutoffs: " - + parser.getDomainsIgnoredDueToIndividualScoreCutoff(), - log_writer ); + + parser.getDomainsIgnoredDueToIndividualScoreCutoff(), + log_writer ); System.out.println( "Domains ignored due to FS E-value : " + parser.getDomainsIgnoredDueToFsEval() ); SurfacingUtil.log( "Domains ignored due to FS E-value : " - + parser.getDomainsIgnoredDueToFsEval(), - log_writer ); + + parser.getDomainsIgnoredDueToFsEval(), + log_writer ); System.out.println( "Domains ignored due to iE-value : " + parser.getDomainsIgnoredDueToIEval() ); SurfacingUtil.log( "Domains ignored due to iE-value : " - + parser.getDomainsIgnoredDueToIEval(), - log_writer ); + + parser.getDomainsIgnoredDueToIEval(), + log_writer ); System.out.println( "Domains ignored due to DUF designation : " + parser.getDomainsIgnoredDueToDuf() ); SurfacingUtil - .log( "Domains ignored due to DUF designation : " + parser.getDomainsIgnoredDueToDuf(), - log_writer ); + .log( "Domains ignored due to DUF designation : " + parser.getDomainsIgnoredDueToDuf(), + log_writer ); if ( ignore_virus_like_ids ) { System.out.println( "Domains ignored due virus like ids : " + parser.getDomainsIgnoredDueToVirusLikeIds() ); SurfacingUtil.log( "Domains ignored due virus like ids : " - + parser.getDomainsIgnoredDueToVirusLikeIds(), - log_writer ); + + parser.getDomainsIgnoredDueToVirusLikeIds(), + log_writer ); } System.out.println( "Domains ignored due negative domain filter : " + parser.getDomainsIgnoredDueToNegativeDomainFilter() ); SurfacingUtil.log( "Domains ignored due negative domain filter : " - + parser.getDomainsIgnoredDueToNegativeDomainFilter(), - log_writer ); + + parser.getDomainsIgnoredDueToNegativeDomainFilter(), + log_writer ); System.out.println( "Domains ignored due to overlap : " + parser.getDomainsIgnoredDueToOverlap() ); SurfacingUtil.log( "Domains ignored due to overlap : " - + parser.getDomainsIgnoredDueToOverlap(), - log_writer ); + + parser.getDomainsIgnoredDueToOverlap(), + log_writer ); if ( negative_filter_file != null ) { System.out.println( "Proteins ignored due to negative filter : " + parser.getProteinsIgnoredDueToFilter() ); SurfacingUtil.log( "Proteins ignored due to negative filter : " - + parser.getProteinsIgnoredDueToFilter(), - log_writer ); + + parser.getProteinsIgnoredDueToFilter(), + log_writer ); } if ( positive_filter_file != null ) { System.out.println( "Proteins ignored due to positive filter : " + parser.getProteinsIgnoredDueToFilter() ); SurfacingUtil.log( "Proteins ignored due to positive filter : " - + parser.getProteinsIgnoredDueToFilter(), - log_writer ); + + parser.getProteinsIgnoredDueToFilter(), + log_writer ); } if ( da_analysis ) { System.out.println( "Distinct domain architectures stored : " + distinct_das ); @@ -1626,7 +1628,7 @@ public class surfacing { int count = 0; for( final Protein protein : protein_list ) { dc_data_writer.write( SurfacingUtil.proteinToDomainCombinations( protein, count + "", "\t" ) - .toString() ); + .toString() ); ++count; for( final Domain d : protein.getProteinDomains() ) { final String d_str = d.getDomainId().toString(); @@ -1648,25 +1650,27 @@ public class surfacing { domains_which_are_sometimes_single_sometimes_not, domains_which_never_single, domains_per_potein_stats_writer ); - domain_lengths_table.addLengths( protein_list ); + if ( domain_length_analysis ) { + domain_lengths_table.addLengths( protein_list ); + } if ( !da_analysis ) { gwcd_list.add( BasicGenomeWideCombinableDomains - .createInstance( protein_list, - ignore_combination_with_same, - new BasicSpecies( input_file_properties[ i ][ 1 ] ), - domain_id_to_go_ids_map, - dc_type, - protein_length_stats_by_dc, - domain_number_stats_by_dc ) ); + .createInstance( protein_list, + ignore_combination_with_same, + new BasicSpecies( input_file_properties[ i ][ 1 ] ), + domain_id_to_go_ids_map, + dc_type, + protein_length_stats_by_dc, + domain_number_stats_by_dc ) ); if ( gwcd_list.get( i ).getSize() > 0 ) { if ( output_binary_domain_combinationsfor_counts ) { SurfacingUtil - .writeDomainCombinationsCountsFile( input_file_properties, - out_dir, - per_genome_domain_promiscuity_statistics_writer, - gwcd_list.get( i ), - i, - dc_sort_order ); + .writeDomainCombinationsCountsFile( input_file_properties, + out_dir, + per_genome_domain_promiscuity_statistics_writer, + gwcd_list.get( i ), + i, + dc_sort_order ); } if ( output_binary_domain_combinationsfor_graph_analysis ) { SurfacingUtil.writeBinaryDomainCombinationsFileForGraphAnalysis( input_file_properties, @@ -1714,9 +1718,9 @@ public class surfacing { distinct_domain_architecuture_counts, 10, new File( out_dir.toString() + "/" + output_file - + "_DA_counts.txt" ), - new File( out_dir.toString() + "/" + output_file - + "_unique_DAs.txt" ) ); + + "_DA_counts.txt" ), + new File( out_dir.toString() + "/" + output_file + + "_unique_DAs.txt" ) ); distinct_domain_architecutures_per_genome.clear(); distinct_domain_architecuture_counts.clear(); System.gc(); @@ -1728,8 +1732,10 @@ public class surfacing { domains_per_potein_stats_writer.write( "\t" ); domains_per_potein_stats_writer.write( all_genomes_domains_per_potein_stats.sampleStandardDeviation() + "" ); domains_per_potein_stats_writer.write( "\t" ); - domains_per_potein_stats_writer.write( all_genomes_domains_per_potein_stats.median() + "" ); - domains_per_potein_stats_writer.write( "\t" ); + if ( all_genomes_domains_per_potein_stats.getN() <= 300 ) { + domains_per_potein_stats_writer.write( all_genomes_domains_per_potein_stats.median() + "" ); + domains_per_potein_stats_writer.write( "\t" ); + } domains_per_potein_stats_writer.write( all_genomes_domains_per_potein_stats.getN() + "" ); domains_per_potein_stats_writer.write( "\t" ); domains_per_potein_stats_writer.write( all_genomes_domains_per_potein_stats.getMin() + "" ); @@ -1737,15 +1743,16 @@ public class surfacing { domains_per_potein_stats_writer.write( all_genomes_domains_per_potein_stats.getMax() + "" ); domains_per_potein_stats_writer.write( "\n" ); domains_per_potein_stats_writer.close(); + all_genomes_domains_per_potein_stats = null; SurfacingUtil.printOutPercentageOfMultidomainProteins( all_genomes_domains_per_potein_histo, log_writer ); ForesterUtil.map2file( new File( out_dir + ForesterUtil.FILE_SEPARATOR + output_file - + "_all_genomes_domains_per_potein_histo.txt" ), all_genomes_domains_per_potein_histo, "\t", "\n" ); + + "_all_genomes_domains_per_potein_histo.txt" ), all_genomes_domains_per_potein_histo, "\t", "\n" ); ForesterUtil.collection2file( new File( out_dir + ForesterUtil.FILE_SEPARATOR + output_file - + "_domains_always_single_.txt" ), domains_which_are_always_single, "\n" ); + + "_domains_always_single_.txt" ), domains_which_are_always_single, "\n" ); ForesterUtil.collection2file( new File( out_dir + ForesterUtil.FILE_SEPARATOR + output_file - + "_domains_single_or_combined.txt" ), domains_which_are_sometimes_single_sometimes_not, "\n" ); + + "_domains_single_or_combined.txt" ), domains_which_are_sometimes_single_sometimes_not, "\n" ); ForesterUtil.collection2file( new File( out_dir + ForesterUtil.FILE_SEPARATOR + output_file - + "_domains_always_combined.txt" ), domains_which_never_single, "\n" ); + + "_domains_always_combined.txt" ), domains_which_never_single, "\n" ); ForesterUtil.programMessage( PRG_NAME, "Average of proteins with a least one domain assigned: " + ( 100 * protein_coverage_stats.arithmeticMean() ) + "% (+/-" @@ -1754,13 +1761,14 @@ public class surfacing { + ( 100 * protein_coverage_stats.getMin() ) + "%-" + ( 100 * protein_coverage_stats.getMax() ) + "%" ); SurfacingUtil.log( "Average of prot with a least one dom assigned : " - + ( 100 * protein_coverage_stats.arithmeticMean() ) + "% (+/-" - + ( 100 * protein_coverage_stats.sampleStandardDeviation() ) + "%)", - log_writer ); + + ( 100 * protein_coverage_stats.arithmeticMean() ) + "% (+/-" + + ( 100 * protein_coverage_stats.sampleStandardDeviation() ) + "%)", + log_writer ); SurfacingUtil.log( "Range of prot with a least one dom assigned : " - + ( 100 * protein_coverage_stats.getMin() ) + "%-" - + ( 100 * protein_coverage_stats.getMax() ) + "%", - log_writer ); + + ( 100 * protein_coverage_stats.getMin() ) + "%-" + + ( 100 * protein_coverage_stats.getMax() ) + "%", + log_writer ); + protein_coverage_stats = null; } catch ( final IOException e2 ) { ForesterUtil.fatalError( surfacing.PRG_NAME, e2.getLocalizedMessage() ); @@ -1783,7 +1791,7 @@ public class surfacing { catch ( final IOException e2 ) { ForesterUtil.fatalError( surfacing.PRG_NAME, e2.getLocalizedMessage() ); } - if ( PERFORM_DOMAIN_LENGTH_ANALYSIS ) { + if ( domain_length_analysis ) { try { SurfacingUtil.executeDomainLengthAnalysis( input_file_properties, number_of_genomes, @@ -1803,7 +1811,8 @@ public class surfacing { final DomainSimilarityCalculator calc = new BasicDomainSimilarityCalculator( domain_similarity_sort_field, sort_by_species_count_first, number_of_genomes == 2, - CALC_SIMILARITY_SCORES ); + CALC_SIMILARITY_SCORES, + true ); switch ( scoring ) { case COMBINATIONS: pw_calc = new CombinationsBasedPairwiseDomainSimilarityCalculator(); @@ -1853,13 +1862,13 @@ public class surfacing { html_desc.append( "Sum of all distinct binary combinations:" + all_bin_domain_combinations_encountered.size() + "" + nl ); html_desc.append( "Sum of all distinct domains:" + all_domains_encountered.size() - + "" + nl ); + + "" + nl ); html_desc.append( "Analysis date/time:" + new java.text.SimpleDateFormat( "yyyy.MM.dd HH:mm:ss" ).format( new java.util.Date() ) + "" + nl ); html_desc.append( "" + nl ); final Writer simple_tab_writer = new BufferedWriter( new FileWriter( out_dir + ForesterUtil.FILE_SEPARATOR - + my_outfile + ".tsv" ) ); + + my_outfile + ".tsv" ) ); SurfacingUtil.writeDomainSimilaritiesToFile( html_desc, new StringBuilder( number_of_genomes + " genomes" ), simple_tab_writer, @@ -1923,23 +1932,23 @@ public class surfacing { output_file = new File( out_dir + ForesterUtil.FILE_SEPARATOR + output_file ); } SurfacingUtil.writeMatrixToFile( new File( matrix_output_file - + surfacing.MATRIX_MEAN_SCORE_BASED_GENOME_DISTANCE_SUFFIX ), pwgc.getDomainDistanceScoresMeans() ); + + surfacing.MATRIX_MEAN_SCORE_BASED_GENOME_DISTANCE_SUFFIX ), pwgc.getDomainDistanceScoresMeans() ); SurfacingUtil - .writeMatrixToFile( new File( matrix_output_file - + surfacing.MATRIX_SHARED_BIN_COMBINATIONS_BASED_GENOME_DISTANCE_SUFFIX ), - pwgc.getSharedBinaryCombinationsBasedDistances() ); + .writeMatrixToFile( new File( matrix_output_file + + surfacing.MATRIX_SHARED_BIN_COMBINATIONS_BASED_GENOME_DISTANCE_SUFFIX ), + pwgc.getSharedBinaryCombinationsBasedDistances() ); SurfacingUtil.writeMatrixToFile( new File( matrix_output_file - + surfacing.MATRIX_SHARED_DOMAINS_BASED_GENOME_DISTANCE_SUFFIX ), - pwgc.getSharedDomainsBasedDistances() ); + + surfacing.MATRIX_SHARED_DOMAINS_BASED_GENOME_DISTANCE_SUFFIX ), + pwgc.getSharedDomainsBasedDistances() ); final Phylogeny nj_gd = SurfacingUtil.createNjTreeBasedOnMatrixToFile( new File( matrix_output_file - + surfacing.NJ_TREE_MEAN_SCORE_BASED_GENOME_DISTANCE_SUFFIX ), pwgc.getDomainDistanceScoresMeans() - .get( 0 ) ); + + surfacing.NJ_TREE_MEAN_SCORE_BASED_GENOME_DISTANCE_SUFFIX ), pwgc.getDomainDistanceScoresMeans() + .get( 0 ) ); final Phylogeny nj_bc = SurfacingUtil.createNjTreeBasedOnMatrixToFile( new File( matrix_output_file - + surfacing.NJ_TREE_SHARED_BIN_COMBINATIONS_BASED_GENOME_DISTANCE_SUFFIX ), pwgc - .getSharedBinaryCombinationsBasedDistances().get( 0 ) ); + + surfacing.NJ_TREE_SHARED_BIN_COMBINATIONS_BASED_GENOME_DISTANCE_SUFFIX ), pwgc + .getSharedBinaryCombinationsBasedDistances().get( 0 ) ); final Phylogeny nj_d = SurfacingUtil.createNjTreeBasedOnMatrixToFile( new File( matrix_output_file - + surfacing.NJ_TREE_SHARED_DOMAINS_BASED_GENOME_DISTANCE_SUFFIX ), pwgc - .getSharedDomainsBasedDistances().get( 0 ) ); + + surfacing.NJ_TREE_SHARED_DOMAINS_BASED_GENOME_DISTANCE_SUFFIX ), pwgc + .getSharedDomainsBasedDistances().get( 0 ) ); inferred_trees = new ArrayList(); inferred_trees.add( nj_gd ); inferred_trees.add( nj_bc ); @@ -1980,18 +1989,18 @@ public class surfacing { parameters_sb.toString(), domain_id_to_secondary_features_maps, positive_filter_file == null ? null : filter, - output_binary_domain_combinationsfor_graph_analysis, - all_bin_domain_combinations_gained_fitch, - all_bin_domain_combinations_lost_fitch, - dc_type, - protein_length_stats_by_dc, - domain_number_stats_by_dc, - domain_length_stats_by_domain, - tax_code_to_id_map, - write_to_nexus, - use_last_in_fitch_parsimony, - perform_dc_fich ); - // Listing of all domain combinations gained is only done if only one input tree is used. + output_binary_domain_combinationsfor_graph_analysis, + all_bin_domain_combinations_gained_fitch, + all_bin_domain_combinations_lost_fitch, + dc_type, + protein_length_stats_by_dc, + domain_number_stats_by_dc, + domain_length_stats_by_domain, + tax_code_to_id_map, + write_to_nexus, + use_last_in_fitch_parsimony, + perform_dc_fich ); + // Listing of all domain combinations gained is only done if only one input tree is used. if ( ( domain_id_to_secondary_features_maps != null ) && ( domain_id_to_secondary_features_maps.length > 0 ) ) { int j = 0; @@ -2000,14 +2009,14 @@ public class surfacing { final DomainParsimonyCalculator secondary_features_parsimony = DomainParsimonyCalculator .createInstance( intree, gwcd_list, domain_id_to_secondary_features_map ); SurfacingUtil - .executeParsimonyAnalysisForSecondaryFeatures( outfile_name - + "_" - + secondary_features_map_files[ j++ ], - secondary_features_parsimony, - intree, - parameters_sb.toString(), - mapping_results_map, - use_last_in_fitch_parsimony ); + .executeParsimonyAnalysisForSecondaryFeatures( outfile_name + + "_" + + secondary_features_map_files[ j++ ], + secondary_features_parsimony, + intree, + parameters_sb.toString(), + mapping_results_map, + use_last_in_fitch_parsimony ); if ( i == 0 ) { System.out.println(); System.out.println( "Mapping to secondary features:" ); @@ -2047,18 +2056,19 @@ public class surfacing { SurfacingUtil.writeProteinListsForAllSpecies( out_dir, protein_lists_per_species, gwcd_list, - output_list_of_all_proteins_per_domain_e_value_max ); + output_list_of_all_proteins_per_domain_e_value_max, + positive_filter_file != null ? filter : null ); } gwcd_list = null; if ( all_bin_domain_combinations_gained_fitch != null ) { try { SurfacingUtil - .executeFitchGainsAnalysis( new File( output_file - + surfacing.OUTPUT_DOMAIN_COMBINATIONS_GAINED_MORE_THAN_ONCE_ANALYSIS_SUFFIX ), - all_bin_domain_combinations_gained_fitch, - all_domains_encountered.size(), - all_bin_domain_combinations_encountered, - true ); + .executeFitchGainsAnalysis( new File( output_file + + surfacing.OUTPUT_DOMAIN_COMBINATIONS_GAINED_MORE_THAN_ONCE_ANALYSIS_SUFFIX ), + all_bin_domain_combinations_gained_fitch, + all_domains_encountered.size(), + all_bin_domain_combinations_encountered, + true ); } catch ( final IOException e ) { ForesterUtil.fatalError( PRG_NAME, e.getLocalizedMessage() ); @@ -2067,12 +2077,12 @@ public class surfacing { if ( all_bin_domain_combinations_lost_fitch != null ) { try { SurfacingUtil - .executeFitchGainsAnalysis( new File( output_file - + surfacing.OUTPUT_DOMAIN_COMBINATIONS_LOST_MORE_THAN_ONCE_ANALYSIS_SUFFIX ), - all_bin_domain_combinations_lost_fitch, - all_domains_encountered.size(), - all_bin_domain_combinations_encountered, - false ); + .executeFitchGainsAnalysis( new File( output_file + + surfacing.OUTPUT_DOMAIN_COMBINATIONS_LOST_MORE_THAN_ONCE_ANALYSIS_SUFFIX ), + all_bin_domain_combinations_lost_fitch, + all_domains_encountered.size(), + all_bin_domain_combinations_encountered, + false ); } catch ( final IOException e ) { ForesterUtil.fatalError( PRG_NAME, e.getLocalizedMessage() ); @@ -2082,7 +2092,7 @@ public class surfacing { final long free_memory = rt.freeMemory() / 1000000; final long total_memory = rt.totalMemory() / 1000000; ForesterUtil.programMessage( PRG_NAME, "Time for analysis : " + ( new Date().getTime() - analysis_start_time ) - + "ms" ); + + "ms" ); ForesterUtil.programMessage( PRG_NAME, "Total running time: " + ( new Date().getTime() - start_time ) + "ms " ); ForesterUtil.programMessage( PRG_NAME, "Free memory : " + free_memory + "MB, total memory: " + total_memory + "MB" ); @@ -2097,28 +2107,28 @@ public class surfacing { System.out.println( "Usage:" ); System.out.println(); System.out.println( "% java -Xms256m -Xmx512m -cp forester.jar org.forester.applications." + surfacing.PRG_NAME - + " [options] [external node name 1] [name 2] ... [name n]" ); + + " [options] [external node name 1] [name 2] ... [name n]" ); System.out.println(); System.out.println( " Note: This software might need a significant amount of memory (heap space);" ); System.out - .println( " hence use \"-Xms128m -Xmx512m\" (or more) to prevent a \"java.lang.OutOfMemoryError\"." ); + .println( " hence use \"-Xms128m -Xmx512m\" (or more) to prevent a \"java.lang.OutOfMemoryError\"." ); System.out.println(); System.out.println( " Options: " ); System.out.println( surfacing.DETAILEDNESS_OPTION + ": level of detail for similarities output file (default:" + DETAILEDNESS_DEFAULT + ")" ); System.out.println( surfacing.IGNORE_COMBINATION_WITH_SAME_OPTION - + ": to ignore combinations with self (default: not to ignore)" ); + + ": to ignore combinations with self (default: not to ignore)" ); System.out - .println( surfacing.IGNORE_DOMAINS_WITHOUT_COMBINATIONS_IN_ALL_SPECIES_OPTION - + ": to ignore domains without combinations in any species (for similarity calc purposes, not for parsimony analyses) (default: not to ignore)" ); + .println( surfacing.IGNORE_DOMAINS_WITHOUT_COMBINATIONS_IN_ALL_SPECIES_OPTION + + ": to ignore domains without combinations in any species (for similarity calc purposes, not for parsimony analyses) (default: not to ignore)" ); System.out - .println( surfacing.IGNORE_DOMAINS_SPECIFIC_TO_ONE_SPECIES_OPTION - + ": to ignore domains specific to one species (for similarity calc purposes, not for parsimony analyses) (default: not to ignore)" ); + .println( surfacing.IGNORE_DOMAINS_SPECIFIC_TO_ONE_SPECIES_OPTION + + ": to ignore domains specific to one species (for similarity calc purposes, not for parsimony analyses) (default: not to ignore)" ); System.out.println( surfacing.NOT_IGNORE_DUFS_OPTION - + ": to _not_ ignore DUFs (domains with unknown function) (default: ignore DUFs)" ); + + ": to _not_ ignore DUFs (domains with unknown function) (default: ignore DUFs)" ); System.out - .println( surfacing.IGNORE_VIRAL_IDS - + ": to ignore domains with ids containing 'vir', 'retro', 'transpos', 'phage', or starting with 'rv' or 'gag_'" ); + .println( surfacing.IGNORE_VIRAL_IDS + + ": to ignore domains with ids containing 'vir', 'retro', 'transpos', 'phage', or starting with 'rv' or 'gag_'" ); System.out.println( surfacing.DOMAIN_SIMILARITY_SORT_OPTION + ": sorting for similarities (default: " + DOMAIN_SORT_FILD_DEFAULT + ")" ); System.out.println( surfacing.OUTPUT_FILE_OPTION + ": name for (main) output file (mandatory)" ); @@ -2134,61 +2144,58 @@ public class surfacing { + DOMAIN_SIMILARITY_PRINT_OPTION_DEFAULT + ")" ); System.out.println( surfacing.CUTOFF_SCORE_FILE_OPTION + ": cutoff score file" ); System.out.println( surfacing.DOMAIN_SIMILARITY_SORT_BY_SPECIES_COUNT_FIRST_OPTION - + ": sort by species count first" ); + + ": sort by species count first" ); System.out.println( surfacing.OUTPUT_DIR_OPTION + ": output directory" ); System.out.println( surfacing.PFAM_TO_GO_FILE_USE_OPTION + ": Pfam to GO mapping file" ); System.out.println( surfacing.GO_OBO_FILE_USE_OPTION + ": GO terms file (OBO format)" ); System.out.println( surfacing.GO_NAMESPACE_LIMIT_OPTION + ": limit GO term to one GO namespace" ); System.out.println( surfacing.PAIRWISE_DOMAIN_COMPARISONS_OPTION - + "[=]: to perform pairwise comparison based analyses" ); + + "[=]: to perform pairwise comparison based analyses" ); System.out.println( surfacing.INPUT_SPECIES_TREE_OPTION - + ": species tree, to perform (Dollo, Fitch) parismony analyses" ); + + ": species tree, to perform (Dollo, Fitch) parismony analyses" ); System.out - .println( surfacing.INPUT_SPECIES_TREE_OPTION - + "=: to infer domain/binary domain combination gains/losses on given species trees" ); + .println( surfacing.INPUT_SPECIES_TREE_OPTION + + "=: to infer domain/binary domain combination gains/losses on given species trees" ); System.out.println( surfacing.FILTER_POSITIVE_OPTION - + "=: to filter out proteins not containing at least one domain listed in " ); + + "=: to filter out proteins not containing at least one domain listed in " ); System.out.println( surfacing.FILTER_NEGATIVE_OPTION - + "=: to filter out proteins containing at least one domain listed in " ); + + "=: to filter out proteins containing at least one domain listed in " ); System.out.println( surfacing.FILTER_NEGATIVE_DOMAINS_OPTION - + "=: to filter out (ignore) domains listed in " ); + + "=: to filter out (ignore) domains listed in " ); System.out.println( surfacing.INPUT_GENOMES_FILE_OPTION + "=: to read input files from " ); System.out - .println( surfacing.RANDOM_SEED_FOR_FITCH_PARSIMONY_OPTION - + "=: seed for random number generator for Fitch Parsimony analysis (type: long, default: no randomization - given a choice, prefer absence" ); + .println( surfacing.RANDOM_SEED_FOR_FITCH_PARSIMONY_OPTION + + "=: seed for random number generator for Fitch Parsimony analysis (type: long, default: no randomization - given a choice, prefer absence" ); System.out.println( surfacing.CONSIDER_DOMAIN_COMBINATION_DIRECTEDNESS - + ": to consider directedness in binary combinations: e.g. A-B != B-A" ); + + ": to consider directedness in binary combinations: e.g. A-B != B-A" ); System.out.println( surfacing.CONSIDER_DOMAIN_COMBINATION_DIRECTEDNESS_AND_ADJACENCY - + ": to consider directedness and adjacency in binary combinations" ); + + ": to consider directedness and adjacency in binary combinations" ); System.out - .println( surfacing.SEQ_EXTRACT_OPTION - + "=: to extract sequence names of sequences containing matching domains and/or domain-sequences (order N to C) (domain separator: '~', domain sequences speparator: '#', e.g. 'NACHT#BIR~CARD')" ); + .println( surfacing.SEQ_EXTRACT_OPTION + + "=: to extract sequence names of sequences containing matching domains and/or domain-sequences (order N to C) (domain separator: '~', domain sequences speparator: '#', e.g. 'NACHT#BIR~CARD')" ); System.out.println( surfacing.SECONDARY_FEATURES_PARSIMONY_MAP_FILE - + "=: to perfom parsimony analysis on secondary features" ); + + "=: to perfom parsimony analysis on secondary features" ); System.out.println( surfacing.PLUS_MINUS_ANALYSIS_OPTION + "=: to presence/absence genome analysis" ); System.out.println( surfacing.DOMAIN_COMBINITONS_COUNTS_OUTPUT_OPTION - + ": to output binary domain counts (as individual files)" ); + + ": to output binary domain counts (as individual files)" ); System.out.println( surfacing.DOMAIN_COMBINITONS_OUTPUT_OPTION_FOR_GRAPH_ANALYSIS - + ": to output binary domain combinations for (downstream) graph analysis" ); + + ": to output binary domain combinations for (downstream) graph analysis" ); System.out.println( surfacing.OUTPUT_LIST_OF_ALL_PROTEINS_OPTIONS + ": to output all proteins per domain" ); System.out.println( surfacing.OUTPUT_LIST_OF_ALL_PROTEINS_PER_DOMAIN_E_VALUE_OPTION - + ": e value max per domain for output of all proteins per domain" ); + + ": e value max per domain for output of all proteins per domain" ); System.out.println( surfacing.USE_LAST_IN_FITCH_OPTION + ": to use last in Fitch parsimony" ); System.out.println( surfacing.WRITE_TO_NEXUS_OPTION + ": to output in Nexus format" ); System.out.println( PERFORM_DC_FITCH + ": to perform DC Fitch parsimony" ); System.out.println( PERFORM_DC_REGAIN_PROTEINS_STATS_OPTION + ": to perform DC regain protein statistics" ); - System.out.println( DA_ANALYSIS_OPTION + ": to do DA analysis" ); + System.out.println( DA_ANALYSIS_OPTION + ": to perform DA analysis" ); + System.out.println( PERFORM_DOMAIN_LENGTH_ANALYSIS_OPTION + ": to perform domain length analysis" ); + System.out.println(); System.out.println(); - System.out.println( "Example 1: java -Xms128m -Xmx512m -cp path/to/forester.jar" - + " org.forester.application.surfacing p2g=pfam2go_2012_02_07.txt -dufs -cos=Pfam_260_NC1" - + " -no_eo -mo=0 -genomes=eukaryotes.txt -out_dir=out -o=o " - + " -species_tree=tol.xml -obo=gene_ontology_2012_02_07.obo -pos_filter=f.txt -all_prot" ); + System.out + .println( "Example 1: surfacing -p2g=pfam2go.txt -obo=go.obo -species_tree=tol_156.xml -no_eo -ie=0.01 -dufs -genomes=genomes_all.txt -pos_filter=tf_1.txt -out_dir=_tf1 -o=tf1" ); System.out.println(); - System.out.println( "Example 2: java -Xms128m -Xmx512m -cp path/to/forester.jar" - + " org.forester.application.surfacing -detail=punctilious -o=TEST.html -pwc=TEST" - + " -cos=Pfam_ls_22_TC2 -p2g=pfam2go -obo=gene_ontology_edit.obo " - + "-dc_sort=dom -ignore_with_self -no_singles -ie=0.001 -mo=1 -no_eo -genomes=eukaryotes.txt " - + "-ds_output=detailed_html -scoring=domains -sort=alpha " ); + System.out + .println( "Example 2: surfacing -p2g=pfam2go.txt -obo=go.obo -species_tree=tol_156.xml -last -ignore_viral_ids -no_eo -ie=0.1 -dufs -genomes=genomes_all.txt -pos_filter=tf_1.txt -all_prot -all_prot_e=0.1 -out_dir=_tf1_e01_ape01 -o=tf1_e01_ape01" ); System.out.println(); } }