inprogress
[jalview.git] / forester / java / src / org / forester / application / surfacing.java
index f15ea36..fc98702 100644 (file)
@@ -54,6 +54,7 @@ import org.forester.go.PfamToGoMapping;
 import org.forester.go.PfamToGoParser;
 import org.forester.io.parsers.HmmscanPerDomainTableParser;
 import org.forester.io.parsers.HmmscanPerDomainTableParser.INDIVIDUAL_SCORE_CUTOFF;
+import org.forester.io.parsers.phyloxml.PhyloXmlUtil;
 import org.forester.io.parsers.util.ParserUtils;
 import org.forester.phylogeny.Phylogeny;
 import org.forester.phylogeny.PhylogenyMethods;
@@ -62,7 +63,6 @@ import org.forester.phylogeny.factories.ParserBasedPhylogenyFactory;
 import org.forester.phylogeny.iterators.PhylogenyNodeIterator;
 import org.forester.protein.BinaryDomainCombination;
 import org.forester.protein.Domain;
-import org.forester.protein.DomainId;
 import org.forester.protein.Protein;
 import org.forester.species.BasicSpecies;
 import org.forester.species.Species;
@@ -187,6 +187,9 @@ public class surfacing {
     final static private String                               MAX_ALLOWED_OVERLAP_OPTION                                                    = "mo";
     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                               USE_LAST_IN_FITCH_OPTION                                                      = "last";
     final static private String                               PAIRWISE_DOMAIN_COMPARISONS_PREFIX                                            = "pwc_";
     final static private String                               PAIRWISE_DOMAIN_COMPARISONS_OPTION                                            = "pwc";
     final static private String                               OUTPUT_FILE_OPTION                                                            = "o";
@@ -216,20 +219,14 @@ public class surfacing {
                                                                                                                                                     + ForesterConstants.PHYLO_XML_SUFFIX;
     final static private String                               NJ_TREE_SHARED_BIN_COMBINATIONS_BASED_GENOME_DISTANCE_SUFFIX                  = "_bin_combinations_NJ"
                                                                                                                                                     + ForesterConstants.PHYLO_XML_SUFFIX;
-    final static private String                               JACKNIFE_OPTION                                                               = "jack";
-    final static private String                               JACKNIFE_RANDOM_SEED_OPTION                                                   = "seed";
-    final static private String                               JACKNIFE_RATIO_OPTION                                                         = "jack_ratio";
-    private static final int                                  JACKNIFE_NUMBER_OF_RESAMPLINGS_DEFAULT                                        = 100;
-    final static private long                                 JACKNIFE_RANDOM_SEED_DEFAULT                                                  = 19;
-    final static private double                               JACKNIFE_RATIO_DEFAULT                                                        = 0.5;
     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                                                                   = "2.260";
-    final static private String                               PRG_DATE                                                                      = "130721";
+    final static private String                               PRG_VERSION                                                                   = "2.280";
+    final static private String                               PRG_DATE                                                                      = "130701";
     final static private String                               E_MAIL                                                                        = "czmasek@burnham.org";
     final static private String                               WWW                                                                           = "www.phylosoft.org/forester/applications/surfacing";
     final static private boolean                              IGNORE_DUFS_DEFAULT                                                           = true;
@@ -268,6 +265,7 @@ public class surfacing {
     private static final String                               LOG_FILE_SUFFIX                                                               = "_log.txt";
     private static final String                               DATA_FILE_SUFFIX                                                              = "_domain_combination_data.txt";
     private static final String                               DATA_FILE_DESC                                                                = "#SPECIES\tPRTEIN_ID\tN_TERM_DOMAIN\tC_TERM_DOMAIN\tN_TERM_DOMAIN_PER_DOMAIN_E_VALUE\tC_TERM_DOMAIN_PER_DOMAIN_E_VALUE\tN_TERM_DOMAIN_COUNTS_PER_PROTEIN\tC_TERM_DOMAIN_COUNTS_PER_PROTEIN";
+    private static final String                               WRITE_TO_NEXUS_OPTION                                                         = "nexus";
     private static final INDIVIDUAL_SCORE_CUTOFF              INDIVIDUAL_SCORE_CUTOFF_DEFAULT                                               = INDIVIDUAL_SCORE_CUTOFF.FULL_SEQUENCE;                                                                                                                                                      //TODO look at me! change?
     public static final String                                INDEPENDENT_DC_GAINS_FITCH_PARS_COUNTS_OUTPUT_SUFFIX                          = "_indep_dc_gains_fitch_counts.txt";
     public static final String                                INDEPENDENT_DC_GAINS_FITCH_PARS_DC_OUTPUT_SUFFIX                              = "_indep_dc_gains_fitch_lists.txt";
@@ -280,8 +278,6 @@ public class surfacing {
     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";
     public static final String                                INDEPENDENT_DC_GAINS_FITCH_PARS_DC_FOR_GO_MAPPING_MAPPED_OUTPUT_UNIQUE_SUFFIX = "_indep_dc_gains_fitch_lists_for_go_mapping_unique_MAPPED.txt";
-    private static final boolean                              PERFORM_DC_REGAIN_PROTEINS_STATS                                              = true;
-    private static final boolean                              DA_ANALYSIS                                                                   = false;
 
     private static void checkWriteabilityForPairwiseComparisons( final PrintableDomainSimilarity.PRINT_OPTION domain_similarity_print_option,
                                                                  final String[][] input_file_properties,
@@ -367,8 +363,8 @@ public class surfacing {
         final Writer out = ForesterUtil.createBufferedWriter( output_file );
         final SortedMap<Object, Integer> bdc_to_counts = ForesterUtil
                 .listToSortedCountsMap( all_bin_domain_combinations_changed );
-        final SortedSet<DomainId> all_domains_in_combination_changed_more_than_once = new TreeSet<DomainId>();
-        final SortedSet<DomainId> all_domains_in_combination_changed_only_once = new TreeSet<DomainId>();
+        final SortedSet<String> all_domains_in_combination_changed_more_than_once = new TreeSet<String>();
+        final SortedSet<String> all_domains_in_combination_changed_only_once = new TreeSet<String>();
         int above_one = 0;
         int one = 0;
         for( final Object bdc_object : bdc_to_counts.keySet() ) {
@@ -436,7 +432,7 @@ public class surfacing {
                                                   final List<String> plus_minus_analysis_low_copy,
                                                   final List<GenomeWideCombinableDomains> gwcd_list,
                                                   final SortedMap<Species, List<Protein>> protein_lists_per_species,
-                                                  final Map<DomainId, List<GoId>> domain_id_to_go_ids_map,
+                                                  final Map<String, List<GoId>> domain_id_to_go_ids_map,
                                                   final Map<GoId, GoTerm> go_id_to_term_map,
                                                   final List<Object> plus_minus_analysis_numbers ) {
         final Set<String> all_spec = new HashSet<String>();
@@ -604,9 +600,9 @@ public class surfacing {
         allowed_options.add( surfacing.PAIRWISE_DOMAIN_COMPARISONS_OPTION );
         allowed_options.add( surfacing.IGNORE_DOMAINS_WITHOUT_COMBINATIONS_IN_ALL_SPECIES_OPTION );
         allowed_options.add( surfacing.CONSIDER_DOMAIN_COMBINATION_DIRECTEDNESS );
-        allowed_options.add( JACKNIFE_OPTION );
-        allowed_options.add( JACKNIFE_RANDOM_SEED_OPTION );
-        allowed_options.add( JACKNIFE_RATIO_OPTION );
+        //allowed_options.add( JACKNIFE_OPTION );
+        // allowed_options.add( JACKNIFE_RANDOM_SEED_OPTION );
+        // allowed_options.add( JACKNIFE_RATIO_OPTION );
         allowed_options.add( INPUT_SPECIES_TREE_OPTION );
         allowed_options.add( FILTER_POSITIVE_OPTION );
         allowed_options.add( FILTER_NEGATIVE_OPTION );
@@ -621,6 +617,10 @@ public class surfacing {
         allowed_options.add( DOMAIN_COMBINITONS_OUTPUT_OPTION_FOR_GRAPH_ANALYSIS );
         allowed_options.add( OUTPUT_LIST_OF_ALL_PROTEINS_OPTIONS );
         allowed_options.add( CONSIDER_DOMAIN_COMBINATION_DIRECTEDNESS_AND_ADJACENCY );
+        allowed_options.add( WRITE_TO_NEXUS_OPTION );
+        allowed_options.add( PERFORM_DC_REGAIN_PROTEINS_STATS_OPTION );
+        allowed_options.add( DA_ANALYSIS_OPTION );
+        allowed_options.add( USE_LAST_IN_FITCH_OPTION );
         boolean ignore_dufs = surfacing.IGNORE_DUFS_DEFAULT;
         boolean ignore_combination_with_same = surfacing.IGNORE_COMBINATION_WITH_SAME_DEFAULLT;
         double e_value_max = surfacing.MAX_E_VALUE_DEFAULT;
@@ -629,6 +629,22 @@ public class surfacing {
         if ( dissallowed_options.length() > 0 ) {
             ForesterUtil.fatalError( surfacing.PRG_NAME, "unknown option(s): " + dissallowed_options );
         }
+        boolean use_last_in_fitch_parsimony = false;
+        if ( cla.isOptionSet( USE_LAST_IN_FITCH_OPTION ) ) {
+            use_last_in_fitch_parsimony = true;
+        }
+        boolean write_to_nexus = false;
+        if ( cla.isOptionSet( WRITE_TO_NEXUS_OPTION ) ) {
+            write_to_nexus = true;
+        }
+        boolean perform_dc_regain_proteins_stats = false;
+        if ( cla.isOptionSet( PERFORM_DC_REGAIN_PROTEINS_STATS_OPTION ) ) {
+            perform_dc_regain_proteins_stats = true;
+        }
+        boolean da_analysis = false;
+        if ( cla.isOptionSet( DA_ANALYSIS_OPTION ) ) {
+            da_analysis = true;
+        }
         boolean output_binary_domain_combinationsfor_graph_analysis = false;
         if ( cla.isOptionSet( DOMAIN_COMBINITONS_OUTPUT_OPTION_FOR_GRAPH_ANALYSIS ) ) {
             output_binary_domain_combinationsfor_graph_analysis = true;
@@ -1019,12 +1035,6 @@ public class surfacing {
             }
         }
         final String[][] input_file_properties = processInputGenomesFile( input_genomes_file );
-        for( final String[] input_file_propertie : input_file_properties ) {
-            for( final String element : input_file_propertie ) {
-                System.out.print( element + " " );
-            }
-            System.out.println();
-        }
         final int number_of_genomes = input_file_properties.length;
         if ( number_of_genomes < 2 ) {
             ForesterUtil.fatalError( surfacing.PRG_NAME, "cannot analyze less than two files" );
@@ -1047,7 +1057,7 @@ public class surfacing {
             SurfacingUtil.checkForOutputFileWriteability( dcc_outfile );
         }
         File pfam_to_go_file = null;
-        Map<DomainId, List<GoId>> domain_id_to_go_ids_map = null;
+        Map<String, List<GoId>> domain_id_to_go_ids_map = null;
         int domain_id_to_go_ids_count = 0;
         if ( cla.isOptionSet( surfacing.PFAM_TO_GO_FILE_USE_OPTION ) ) {
             if ( !cla.isOptionValueSet( surfacing.PFAM_TO_GO_FILE_USE_OPTION ) ) {
@@ -1145,56 +1155,9 @@ public class surfacing {
                 && ( number_of_genomes > 2 ) ) {
             domain_similarity_sort_field = DomainSimilarity.DomainSimilaritySortField.ABS_MAX_COUNTS_DIFFERENCE;
         }
-        boolean jacknifed_distances = false;
-        int jacknife_resamplings = JACKNIFE_NUMBER_OF_RESAMPLINGS_DEFAULT;
-        double jacknife_ratio = JACKNIFE_RATIO_DEFAULT;
-        long random_seed = JACKNIFE_RANDOM_SEED_DEFAULT;
-        if ( cla.isOptionSet( surfacing.JACKNIFE_OPTION ) ) {
-            if ( ( number_of_genomes < 3 ) || !perform_pwc ) {
-                ForesterUtil.fatalError( surfacing.PRG_NAME, "cannot use jacknife resampling analysis (-"
-                        + surfacing.JACKNIFE_OPTION + "[=<number of resamplings>]) without pairwise analyses ("
-                        + surfacing.PAIRWISE_DOMAIN_COMPARISONS_OPTION
-                        + "=<suffix for pairwise comparison output files>)" );
-            }
-            jacknifed_distances = true;
-            if ( cla.isOptionHasAValue( surfacing.JACKNIFE_OPTION ) ) {
-                try {
-                    jacknife_resamplings = cla.getOptionValueAsInt( surfacing.JACKNIFE_OPTION );
-                }
-                catch ( final IOException e ) {
-                    ForesterUtil.fatalError( surfacing.PRG_NAME, "illegal format for number of resamplings" );
-                }
-                if ( jacknife_resamplings < 2 ) {
-                    ForesterUtil.fatalError( surfacing.PRG_NAME, "attempt to use less than 2 resamplings" );
-                }
-            }
-            if ( cla.isOptionSet( surfacing.JACKNIFE_RATIO_OPTION )
-                    && cla.isOptionHasAValue( surfacing.JACKNIFE_RATIO_OPTION ) ) {
-                try {
-                    jacknife_ratio = cla.getOptionValueAsDouble( surfacing.JACKNIFE_RATIO_OPTION );
-                }
-                catch ( final IOException e ) {
-                    ForesterUtil.fatalError( surfacing.PRG_NAME, "illegal format for jacknife ratio" );
-                }
-                if ( ( jacknife_ratio <= 0.0 ) || ( jacknife_ratio >= 1.0 ) ) {
-                    ForesterUtil.fatalError( surfacing.PRG_NAME, "attempt to use illegal value for jacknife ratio: "
-                            + jacknife_ratio );
-                }
-            }
-            if ( cla.isOptionSet( surfacing.JACKNIFE_RANDOM_SEED_OPTION )
-                    && cla.isOptionHasAValue( surfacing.JACKNIFE_RANDOM_SEED_OPTION ) ) {
-                try {
-                    random_seed = cla.getOptionValueAsLong( surfacing.JACKNIFE_RANDOM_SEED_OPTION );
-                }
-                catch ( final IOException e ) {
-                    ForesterUtil.fatalError( surfacing.PRG_NAME, "illegal format for random generator seed" );
-                }
-            }
-        }
         File[] intree_files = null;
         Phylogeny[] intrees = null;
         if ( cla.isOptionSet( surfacing.INPUT_SPECIES_TREE_OPTION ) ) {
-            // TODO FIXME if jacknife.... maybe not
             if ( number_of_genomes < 3 ) {
                 ForesterUtil.fatalError( surfacing.PRG_NAME, "cannot infer gains and losses on input species trees (-"
                         + surfacing.INPUT_SPECIES_TREE_OPTION + " without pairwise analyses ("
@@ -1236,10 +1199,10 @@ public class surfacing {
             }
             radomize_fitch_parsimony = true;
         }
-        SortedSet<DomainId> filter = null;
+        SortedSet<String> filter = null;
         if ( ( positive_filter_file != null ) || ( negative_filter_file != null )
                 || ( negative_domains_filter_file != null ) ) {
-            filter = new TreeSet<DomainId>();
+            filter = new TreeSet<String>();
             if ( positive_filter_file != null ) {
                 processFilter( positive_filter_file, filter );
             }
@@ -1250,7 +1213,7 @@ public class surfacing {
                 processFilter( negative_domains_filter_file, filter );
             }
         }
-        Map<DomainId, Set<String>>[] domain_id_to_secondary_features_maps = null;
+        Map<String, Set<String>>[] 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 );
@@ -1398,19 +1361,34 @@ public class surfacing {
                     + ( dc_type == BinaryDomainCombination.DomainCombinationType.DIRECTED_ADJACTANT ) + "</td></tr>"
                     + nl );
         }
+        System.out.println( "Use last in Fitch parimony  : " + use_last_in_fitch_parsimony );
+        html_desc.append( "<tr><td>Use last in Fitch parimon:</td><td>" + use_last_in_fitch_parsimony + "</td></tr>"
+                + nl );
+        System.out.println( "Write to Nexus files        : " + write_to_nexus );
+        html_desc.append( "<tr><td>Write to Nexus files:</td><td>" + write_to_nexus + "</td></tr>" + nl );
+        System.out.println( "DC regain prot stats        : " + perform_dc_regain_proteins_stats );
+        html_desc.append( "<tr><td>DC regain prot stats:</td><td>" + perform_dc_regain_proteins_stats + "</td></tr>"
+                + nl );
+        System.out.println( "DA analysis                 : " + da_analysis );
+        html_desc.append( "<tr><td>DA analysis :</td><td>" + da_analysis + "</td></tr>" + nl );
         System.out.print( "Domain counts sort order    : " );
+        html_desc.append( "<tr><td>Domain counts sort order:</td><td>" );
         switch ( dc_sort_order ) {
             case ALPHABETICAL_KEY_ID:
                 System.out.println( "alphabetical" );
+                html_desc.append( "alphabetical" + "</td></tr>" + nl );
                 break;
             case KEY_DOMAIN_COUNT:
                 System.out.println( "domain count" );
+                html_desc.append( "domain count" + "</td></tr>" + nl );
                 break;
             case KEY_DOMAIN_PROTEINS_COUNT:
                 System.out.println( "domain proteins count" );
+                html_desc.append( "domain proteins count" + "</td></tr>" + nl );
                 break;
             case COMBINATIONS_COUNT:
                 System.out.println( "domain combinations count" );
+                html_desc.append( "domain combinations count" + "</td></tr>" + nl );
                 break;
             default:
                 ForesterUtil.unexpectedFatalError( surfacing.PRG_NAME, "unknown value for dc sort order" );
@@ -1574,15 +1552,6 @@ public class surfacing {
             }
             System.out.println();
             html_desc.append( "</td></tr>" + nl );
-            if ( jacknifed_distances ) {
-                html_desc.append( "<tr><td>Jacknife:</td><td>" + jacknife_resamplings + " resamplings</td></tr>" + nl );
-                html_desc.append( "<tr><td>Jacknife ratio:</td><td>" + ForesterUtil.round( jacknife_ratio, 2 )
-                        + "</td></tr>" + nl );
-                html_desc.append( "<tr><td>Jacknife random number seed:</td><td>" + random_seed + "</td></tr>" + nl );
-                System.out.println( "  Jacknife                  : " + jacknife_resamplings + " resamplings" );
-                System.out.println( "    Ratio                   : " + ForesterUtil.round( jacknife_ratio, 2 ) );
-                System.out.println( "    Random number seed      : " + random_seed );
-            }
             if ( ( intrees != null ) && ( intrees.length > 0 ) ) {
                 for( final File intree_file : intree_files ) {
                     html_desc.append( "<tr><td>Intree for gain/loss parsimony analysis:</td><td>" + intree_file
@@ -1604,8 +1573,8 @@ public class surfacing {
                     if ( VERBOSE ) {
                         System.out.println();
                         System.out.println( "Domain ids to secondary features map:" );
-                        for( final DomainId domain_id : domain_id_to_secondary_features_maps[ i ].keySet() ) {
-                            System.out.print( domain_id.getId() );
+                        for( final String domain_id : domain_id_to_secondary_features_maps[ i ].keySet() ) {
+                            System.out.print( domain_id );
                             System.out.print( " => " );
                             for( final String sec : domain_id_to_secondary_features_maps[ i ].get( domain_id ) ) {
                                 System.out.print( sec );
@@ -1621,7 +1590,7 @@ public class surfacing {
         html_desc.append( "<tr><td>Command line:</td><td>\n" + cla.getCommandLineArgsAsString() + "\n</td></tr>" + nl );
         System.out.println( "Command line                : " + cla.getCommandLineArgsAsString() );
         BufferedWriter[] query_domains_writer_ary = null;
-        List<DomainId>[] query_domain_ids_array = null;
+        List<String>[] query_domain_ids_array = null;
         if ( query_domain_ids != null ) {
             final String[] query_domain_ids_str_array = query_domain_ids.split( "#" );
             query_domain_ids_array = new ArrayList[ query_domain_ids_str_array.length ];
@@ -1629,9 +1598,9 @@ public class surfacing {
             for( int i = 0; i < query_domain_ids_str_array.length; i++ ) {
                 String query_domain_ids_str = query_domain_ids_str_array[ i ];
                 final String[] query_domain_ids_str_ary = query_domain_ids_str.split( "~" );
-                final List<DomainId> query = new ArrayList<DomainId>();
+                final List<String> query = new ArrayList<String>();
                 for( final String element : query_domain_ids_str_ary ) {
-                    query.add( new DomainId( element ) );
+                    query.add( element );
                 }
                 query_domain_ids_array[ i ] = query;
                 query_domain_ids_str = query_domain_ids_str.replace( '~', '_' );
@@ -1656,8 +1625,8 @@ public class surfacing {
         if ( need_protein_lists_per_species ) {
             protein_lists_per_species = new TreeMap<Species, List<Protein>>();
         }
-        final List<GenomeWideCombinableDomains> gwcd_list = new ArrayList<GenomeWideCombinableDomains>( number_of_genomes );
-        final SortedSet<DomainId> all_domains_encountered = new TreeSet<DomainId>();
+        List<GenomeWideCombinableDomains> gwcd_list = new ArrayList<GenomeWideCombinableDomains>( number_of_genomes );
+        final SortedSet<String> all_domains_encountered = new TreeSet<String>();
         final SortedSet<BinaryDomainCombination> all_bin_domain_combinations_encountered = new TreeSet<BinaryDomainCombination>();
         List<BinaryDomainCombination> all_bin_domain_combinations_gained_fitch = null;
         List<BinaryDomainCombination> all_bin_domain_combinations_lost_fitch = null;
@@ -1732,7 +1701,7 @@ public class surfacing {
         Map<String, DescriptiveStatistics> protein_length_stats_by_dc = null;
         Map<String, DescriptiveStatistics> domain_number_stats_by_dc = null;
         final Map<String, DescriptiveStatistics> domain_length_stats_by_domain = new HashMap<String, DescriptiveStatistics>();
-        if ( PERFORM_DC_REGAIN_PROTEINS_STATS ) {
+        if ( perform_dc_regain_proteins_stats ) {
             protein_length_stats_by_dc = new HashMap<String, DescriptiveStatistics>();
             domain_number_stats_by_dc = new HashMap<String, DescriptiveStatistics>();
         }
@@ -1809,7 +1778,7 @@ public class surfacing {
             final double coverage = ( double ) protein_list.size() / parser.getProteinsEncountered();
             protein_coverage_stats.addValue( coverage );
             int distinct_das = -1;
-            if ( DA_ANALYSIS ) {
+            if ( da_analysis ) {
                 final String genome = input_file_properties[ i ][ 0 ];
                 distinct_das = SurfacingUtil.storeDomainArchitectures( genome,
                                                                        distinct_domain_architecutures_per_genome,
@@ -1869,7 +1838,7 @@ public class surfacing {
                 log( "Proteins ignored due to positive filter        : " + parser.getProteinsIgnoredDueToFilter(),
                      log_writer );
             }
-            if ( DA_ANALYSIS ) {
+            if ( da_analysis ) {
                 System.out.println( "Distinct domain architectures stored           : " + distinct_das );
                 log( "Distinct domain architectures stored           : " + distinct_das, log_writer );
             }
@@ -1919,7 +1888,7 @@ public class surfacing {
                                                         domains_which_never_single,
                                                         domains_per_potein_stats_writer );
             domain_lengths_table.addLengths( protein_list );
-            if ( !DA_ANALYSIS ) {
+            if ( !da_analysis ) {
                 gwcd_list.add( BasicGenomeWideCombinableDomains
                         .createInstance( protein_list,
                                          ignore_combination_with_same,
@@ -1976,7 +1945,7 @@ public class surfacing {
         ForesterUtil.programMessage( PRG_NAME, "Wrote domain promiscuities to: "
                 + per_genome_domain_promiscuity_statistics_file );
         //
-        if ( DA_ANALYSIS ) {
+        if ( da_analysis ) {
             SurfacingUtil.performDomainArchitectureAnalysis( distinct_domain_architecutures_per_genome,
                                                              distinct_domain_architecuture_counts,
                                                              10,
@@ -2093,7 +2062,7 @@ public class surfacing {
                                                            go_annotation_output,
                                                            go_id_to_term_map,
                                                            go_namespace_limit );
-        DescriptiveStatistics pw_stats = null;
+        final Map<String, Integer> tax_code_to_id_map = SurfacingUtil.createTaxCodeToIdMap( intrees[ 0 ] );
         try {
             String my_outfile = output_file.toString();
             Map<Character, Writer> split_writers = null;
@@ -2124,7 +2093,7 @@ public class surfacing {
                     + new java.text.SimpleDateFormat( "yyyy.MM.dd HH:mm:ss" ).format( new java.util.Date() )
                     + "</td></tr>" + nl );
             html_desc.append( "</table>" + nl );
-            pw_stats = SurfacingUtil
+            final DescriptiveStatistics pw_stats = SurfacingUtil
                     .writeDomainSimilaritiesToFile( html_desc,
                                                     new StringBuilder( number_of_genomes + " genomes" ),
                                                     writer,
@@ -2135,7 +2104,8 @@ public class surfacing {
                                                     domain_similarity_print_option,
                                                     domain_similarity_sort_field,
                                                     scoring,
-                                                    true );
+                                                    true,
+                                                    tax_code_to_id_map );
             ForesterUtil.programMessage( surfacing.PRG_NAME, "Wrote main output (includes domain similarities) to: \""
                     + ( out_dir == null ? my_outfile : out_dir + ForesterUtil.FILE_SEPARATOR + my_outfile ) + "\"" );
         }
@@ -2144,7 +2114,6 @@ public class surfacing {
                     + e.getMessage() + "]" );
         }
         System.out.println();
-        // values_for_all_scores_histogram = pw_stats.getDataAsDoubleArray();
         final Species[] species = new Species[ number_of_genomes ];
         for( int i = 0; i < number_of_genomes; ++i ) {
             species[ i ] = new BasicSpecies( input_file_properties[ i ][ 1 ] );
@@ -2172,7 +2141,8 @@ public class surfacing {
                                              surfacing.PAIRWISE_DOMAIN_COMPARISONS_PREFIX,
                                              surfacing.PRG_NAME,
                                              out_dir,
-                                             write_pwc_files );
+                                             write_pwc_files,
+                                             tax_code_to_id_map );
             String matrix_output_file = new String( output_file.toString() );
             if ( matrix_output_file.indexOf( '.' ) > 1 ) {
                 matrix_output_file = matrix_output_file.substring( 0, matrix_output_file.indexOf( '.' ) );
@@ -2203,40 +2173,13 @@ public class surfacing {
             inferred_trees.add( nj_gd );
             inferred_trees.add( nj_bc );
             inferred_trees.add( nj_d );
-            if ( jacknifed_distances ) {
-                pwgc.performPairwiseComparisonsJacknifed( species,
-                                                          number_of_genomes,
-                                                          gwcd_list,
-                                                          true,
-                                                          jacknife_resamplings,
-                                                          jacknife_ratio,
-                                                          random_seed );
-                SurfacingUtil
-                        .writeMatrixToFile( new File( matrix_output_file
-                                                    + "_"
-                                                    + ForesterUtil.round( jacknife_ratio, 2 )
-                                                    + "_"
-                                                    + jacknife_resamplings
-                                                    + surfacing.MATRIX_SHARED_BIN_COMBINATIONS_BASED_GENOME_DISTANCE_SUFFIX ),
-                                            pwgc.getSharedBinaryCombinationsBasedDistances() );
-                SurfacingUtil
-                        .writeMatrixToFile( new File( matrix_output_file + "_" + ForesterUtil.round( jacknife_ratio, 2 )
-                                                    + "_" + jacknife_resamplings
-                                                    + surfacing.MATRIX_SHARED_DOMAINS_BASED_GENOME_DISTANCE_SUFFIX ),
-                                            pwgc.getSharedDomainsBasedDistances() );
-                //                if ( infer_species_trees ) {
-                //                    inferSpeciesTrees( new File( output_file + "_" + jacknife_resamplings
-                //                            + INFERRED_SBC_BASED_NJ_SPECIES_TREE_SUFFIX ), pwgc
-                //                            .getSharedBinaryCombinationsBasedDistances() );
-                //                    inferSpeciesTrees( new File( output_file + "_" + jacknife_resamplings
-                //                            + INFERRED_SD_BASED_NJ_SPECIES_TREE_SUFFIX ), pwgc.getSharedDomainsBasedDistances() );
-                //                }
-            }
         } // if ( ( output_file != null ) && ( number_of_genomes > 2 ) && !isEmpty( automated_pairwise_comparison_suffix ) )
         if ( ( out_dir != null ) && ( !perform_pwc ) ) {
             output_file = new File( out_dir + ForesterUtil.FILE_SEPARATOR + output_file );
         }
-        writePresentToNexus( output_file, positive_filter_file, filter, gwcd_list );
+        if ( write_to_nexus ) {
+            writePresentToNexus( output_file, positive_filter_file, filter, gwcd_list );
+        }
         if ( ( ( intrees != null ) && ( intrees.length > 0 ) ) && ( number_of_genomes > 2 ) ) {
             final StringBuilder parameters_sb = createParametersAsString( ignore_dufs,
                                                                           e_value_max,
@@ -2271,12 +2214,15 @@ public class surfacing {
                                                         dc_type,
                                                         protein_length_stats_by_dc,
                                                         domain_number_stats_by_dc,
-                                                        domain_length_stats_by_domain );
+                                                        domain_length_stats_by_domain,
+                                                        tax_code_to_id_map,
+                                                        write_to_nexus,
+                                                        use_last_in_fitch_parsimony );
                 // 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;
-                    for( final Map<DomainId, Set<String>> domain_id_to_secondary_features_map : domain_id_to_secondary_features_maps ) {
+                    for( final Map<String, Set<String>> domain_id_to_secondary_features_map : domain_id_to_secondary_features_maps ) {
                         final Map<Species, MappingResults> mapping_results_map = new TreeMap<Species, MappingResults>();
                         final DomainParsimonyCalculator secondary_features_parsimony = DomainParsimonyCalculator
                                 .createInstance( intree, gwcd_list, domain_id_to_secondary_features_map );
@@ -2287,7 +2233,8 @@ public class surfacing {
                                                                                secondary_features_parsimony,
                                                                                intree,
                                                                                parameters_sb.toString(),
-                                                                               mapping_results_map );
+                                                                               mapping_results_map,
+                                                                               use_last_in_fitch_parsimony );
                         if ( i == 0 ) {
                             System.out.println();
                             System.out.println( "Mapping to secondary features:" );
@@ -2329,6 +2276,7 @@ public class surfacing {
                                             gwcd_list,
                                             output_list_of_all_proteins_per_domain_e_value_max );
         }
+        gwcd_list = null;
         if ( all_bin_domain_combinations_gained_fitch != null ) {
             try {
                 executeFitchGainsAnalysis( new File( output_file
@@ -2544,17 +2492,6 @@ public class surfacing {
         System.out.println( surfacing.INPUT_SPECIES_TREE_OPTION
                 + ": species tree, to perform (Dollo, Fitch) parismony analyses" );
         System.out
-                .println( JACKNIFE_OPTION
-                        + ": perform jacknife resampling for domain and binary domain combination based distance matrices [default resamplings: "
-                        + JACKNIFE_NUMBER_OF_RESAMPLINGS_DEFAULT + "]" );
-        System.out.println( JACKNIFE_RATIO_OPTION + ": ratio for jacknife resampling [default: "
-                + JACKNIFE_RATIO_DEFAULT + "]" );
-        System.out.println( JACKNIFE_RANDOM_SEED_OPTION
-                + ": seed for random number generator for jacknife resampling [default: "
-                + JACKNIFE_RANDOM_SEED_DEFAULT + "]" );
-        //        System.out.println( surfacing.INFER_SPECIES_TREES_OPTION
-        //                + ": to infer NJ species trees based on shared domains/binary domain combinations" );
-        System.out
                 .println( surfacing.INPUT_SPECIES_TREE_OPTION
                         + "=<treefiles in phyloXML format, separated by #>: to infer domain/binary domain combination gains/losses on given species trees" );
         System.out.println( surfacing.FILTER_POSITIVE_OPTION
@@ -2582,6 +2519,10 @@ public class surfacing {
         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" );
+        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_REGAIN_PROTEINS_STATS_OPTION + ": to perform DC regain protein statistics" );
+        System.out.println( DA_ANALYSIS_OPTION + ": to do DA analysis" );
         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"
@@ -2596,7 +2537,7 @@ public class surfacing {
         System.out.println();
     }
 
-    private static void processFilter( final File filter_file, final SortedSet<DomainId> filter ) {
+    private static void processFilter( final File filter_file, final SortedSet<String> filter ) {
         SortedSet<String> filter_str = null;
         try {
             filter_str = ForesterUtil.file2set( filter_file );
@@ -2606,13 +2547,13 @@ public class surfacing {
         }
         if ( filter_str != null ) {
             for( final String string : filter_str ) {
-                filter.add( new DomainId( string ) );
+                filter.add( string );
             }
         }
         if ( VERBOSE ) {
             System.out.println( "Filter:" );
-            for( final DomainId domainId : filter ) {
-                System.out.println( domainId.getId() );
+            for( final String domainId : filter ) {
+                System.out.println( domainId );
             }
         }
     }
@@ -2627,7 +2568,23 @@ public class surfacing {
                                      "genomes files is to be in the following format \"<hmmpfam output file> <species>\": "
                                              + e.getLocalizedMessage() );
         }
+        final Set<String> specs = new HashSet<String>();
+        final Set<String> paths = new HashSet<String>();
         for( int i = 0; i < input_file_properties.length; ++i ) {
+            if ( !PhyloXmlUtil.TAXOMONY_CODE_PATTERN.matcher( input_file_properties[ i ][ 1 ] ).matches() ) {
+                ForesterUtil.fatalError( surfacing.PRG_NAME, "illegal format for species code: "
+                        + input_file_properties[ i ][ 1 ] );
+            }
+            if ( specs.contains( input_file_properties[ i ][ 1 ] ) ) {
+                ForesterUtil.fatalError( surfacing.PRG_NAME, "species code " + input_file_properties[ i ][ 1 ]
+                        + " is not unique" );
+            }
+            specs.add( input_file_properties[ i ][ 1 ] );
+            if ( paths.contains( input_file_properties[ i ][ 0 ] ) ) {
+                ForesterUtil.fatalError( surfacing.PRG_NAME, "path " + input_file_properties[ i ][ 0 ]
+                        + " is not unique" );
+            }
+            paths.add( input_file_properties[ i ][ 0 ] );
             final String error = ForesterUtil.isReadableFile( new File( input_file_properties[ i ][ 0 ] ) );
             if ( !ForesterUtil.isEmpty( error ) ) {
                 ForesterUtil.fatalError( surfacing.PRG_NAME, error );
@@ -2736,7 +2693,7 @@ public class surfacing {
 
     private static void writePresentToNexus( final File output_file,
                                              final File positive_filter_file,
-                                             final SortedSet<DomainId> filter,
+                                             final SortedSet<String> filter,
                                              final List<GenomeWideCombinableDomains> gwcd_list ) {
         try {
             SurfacingUtil
@@ -2756,11 +2713,11 @@ public class surfacing {
                                                         final SortedMap<Species, List<Protein>> protein_lists_per_species,
                                                         final List<GenomeWideCombinableDomains> gwcd_list,
                                                         final double domain_e_cutoff ) {
-        final SortedSet<DomainId> all_domains = new TreeSet<DomainId>();
+        final SortedSet<String> all_domains = new TreeSet<String>();
         for( final GenomeWideCombinableDomains gwcd : gwcd_list ) {
             all_domains.addAll( gwcd.getAllDomainIds() );
         }
-        for( final DomainId domain : all_domains ) {
+        for( final String domain : all_domains ) {
             final File out = new File( output_dir + ForesterUtil.FILE_SEPARATOR + domain + SEQ_EXTRACT_SUFFIX );
             SurfacingUtil.checkForOutputFileWriteability( out );
             try {