forester/java/src/org/forester/surfacing/PairwiseGenomeComparator.java

   1 // $Id:
   2 //
   3 // FORESTER -- software libraries and applications
   4 // for evolutionary biology research and applications.
   5 //
   6 // Copyright (C) 2008-2009 Christian M. Zmasek
   7 // Copyright (C) 2008-2009 Burnham Institute for Medical Research
   8 // All rights reserved
   9 //
  10 // This library is free software; you can redistribute it and/or
  11 // modify it under the terms of the GNU Lesser General Public
  12 // License as published by the Free Software Foundation; either
  13 // version 2.1 of the License, or (at your option) any later version.
  14 //
  15 // This library is distributed in the hope that it will be useful,
  16 // but WITHOUT ANY WARRANTY; without even the implied warranty of
  17 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
  18 // Lesser General Public License for more details.
  19 //
  20 // You should have received a copy of the GNU Lesser General Public
  21 // License along with this library; if not, write to the Free Software
  22 // Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA
  23 //
  24 // Contact: phylosoft @ gmail . com
  25 // WWW: https://sites.google.com/site/cmzmasek/home/software/forester
  26
  27 package org.forester.surfacing;
  28
  29 import java.io.BufferedWriter;
  30 import java.io.File;
  31 import java.io.FileWriter;
  32 import java.io.IOException;
  33 import java.io.Writer;
  34 import java.util.ArrayList;
  35 import java.util.List;
  36 import java.util.Map;
  37 import java.util.Random;
  38 import java.util.SortedSet;
  39 import java.util.TreeSet;
  40
  41 import org.forester.evoinference.matrix.distance.BasicSymmetricalDistanceMatrix;
  42 import org.forester.evoinference.matrix.distance.DistanceMatrix;
  43 import org.forester.go.GoId;
  44 import org.forester.go.GoNameSpace;
  45 import org.forester.go.GoTerm;
  46 import org.forester.protein.DomainId;
  47 import org.forester.species.Species;
  48 import org.forester.surfacing.DomainSimilarityCalculator.Detailedness;
  49 import org.forester.util.DescriptiveStatistics;
  50 import org.forester.util.ForesterUtil;
  51
  52 public class PairwiseGenomeComparator {
  53
  54     private List<DistanceMatrix> _domain_distance_scores_means;
  55     private List<DistanceMatrix> _shared_domains_based_distances;
  56     private List<DistanceMatrix> _shared_binary_combinations_based_distances;
  57
  58     //private List<HistogramData>  _histogram_datas;
  59     public PairwiseGenomeComparator() {
  60         init();
  61     }
  62
  63     public List<DistanceMatrix> getDomainDistanceScoresMeans() {
  64         return _domain_distance_scores_means;
  65     }
  66
  67     //public List<HistogramData> getHistogramDatas() {
  68     //    return _histogram_datas;
  69     //}
  70     public List<DistanceMatrix> getSharedBinaryCombinationsBasedDistances() {
  71         return _shared_binary_combinations_based_distances;
  72     }
  73
  74     public List<DistanceMatrix> getSharedDomainsBasedDistances() {
  75         return _shared_domains_based_distances;
  76     }
  77
  78     private void init() {
  79         //_histogram_datas = new ArrayList<HistogramData>();
  80         _domain_distance_scores_means = new ArrayList<DistanceMatrix>();
  81         _shared_domains_based_distances = new ArrayList<DistanceMatrix>();
  82         _shared_binary_combinations_based_distances = new ArrayList<DistanceMatrix>();
  83     }
  84
  85     public void performPairwiseComparisons( final StringBuilder html_desc,
  86                                             final boolean sort_by_species_count_first,
  87                                             final Detailedness detailedness,
  88                                             final boolean ignore_domains_without_combs_in_all_spec,
  89                                             final boolean ignore_domains_specific_to_one_species,
  90                                             final DomainSimilarity.DomainSimilaritySortField domain_similarity_sort_field,
  91                                             final PrintableDomainSimilarity.PRINT_OPTION domain_similarity_print_option,
  92                                             final DomainSimilarity.DomainSimilarityScoring scoring,
  93                                             final Map<DomainId, List<GoId>> domain_id_to_go_ids_map,
  94                                             final Map<GoId, GoTerm> go_id_to_term_map,
  95                                             final GoNameSpace go_namespace_limit,
  96                                             final Species[] species,
  97                                             final int number_of_genomes,
  98                                             final List<GenomeWideCombinableDomains> list_of_genome_wide_combinable_domains,
  99                                             final PairwiseDomainSimilarityCalculator pw_calc,
 100                                             final String automated_pairwise_comparison_suffix,
 101                                             final boolean verbose,
 102                                             final String automated_pairwise_comparison_prefix,
 103                                             final String command_line_prg_name,
 104                                             final File out_dir,
 105                                             final boolean write_pairwise_comparisons ) {
 106         init();
 107         final BasicSymmetricalDistanceMatrix domain_distance_scores_means = new BasicSymmetricalDistanceMatrix( number_of_genomes );
 108         final BasicSymmetricalDistanceMatrix shared_domains_based_distances = new BasicSymmetricalDistanceMatrix( number_of_genomes );
 109         final BasicSymmetricalDistanceMatrix shared_binary_combinations_based_distances = new BasicSymmetricalDistanceMatrix( number_of_genomes );
 110         if ( verbose ) {
 111             System.out.println();
 112             System.out.println( "Pairwise genome distances:" );
 113             System.out.print( "[species-i - species-j:" );
 114             System.out.print( " mean-score-based" );
 115             System.out.print( " (sd)" );
 116             System.out.print( " [N]" );
 117             System.out.print( " | shared-domains-based" );
 118             System.out.println( " | shared-binary-combinations-based]" );
 119             System.out.println();
 120         }
 121         for( int i = 0; i < number_of_genomes; ++i ) {
 122             final String species_i = species[ i ].getSpeciesId();
 123             domain_distance_scores_means.setIdentifier( i, species_i );
 124             shared_domains_based_distances.setIdentifier( i, species_i );
 125             shared_binary_combinations_based_distances.setIdentifier( i, species_i );
 126             if ( verbose ) {
 127                 System.out.println( ( i + 1 ) + "/" + number_of_genomes );
 128             }
 129             for( int j = 0; j < i; ++j ) {
 130                 if ( ( list_of_genome_wide_combinable_domains.get( i ).getSize() < 1 )
 131                         || ( list_of_genome_wide_combinable_domains.get( j ).getSize() < 1 ) ) {
 132                     domain_distance_scores_means
 133                             .setValue( i, j, DomainArchitectureBasedGenomeSimilarityCalculator.MAX_SIMILARITY_SCORE );
 134                     shared_domains_based_distances
 135                             .setValue( i, j, DomainArchitectureBasedGenomeSimilarityCalculator.MAX_SIMILARITY_SCORE );
 136                     shared_binary_combinations_based_distances
 137                             .setValue( i, j, DomainArchitectureBasedGenomeSimilarityCalculator.MAX_SIMILARITY_SCORE );
 138                     continue;
 139                 }
 140                 final List<GenomeWideCombinableDomains> genome_pair = new ArrayList<GenomeWideCombinableDomains>( 2 );
 141                 genome_pair.add( list_of_genome_wide_combinable_domains.get( i ) );
 142                 genome_pair.add( list_of_genome_wide_combinable_domains.get( j ) );
 143                 DomainSimilarityCalculator.GoAnnotationOutput go_annotation_output = DomainSimilarityCalculator.GoAnnotationOutput.NONE;
 144                 if ( domain_id_to_go_ids_map != null ) {
 145                     go_annotation_output = DomainSimilarityCalculator.GoAnnotationOutput.ALL;
 146                 }
 147                 final DomainSimilarityCalculator calc = new BasicDomainSimilarityCalculator( domain_similarity_sort_field,
 148                                                                                              sort_by_species_count_first,
 149                                                                                              true );
 150                 final SortedSet<DomainSimilarity> similarities = calc
 151                         .calculateSimilarities( pw_calc,
 152                                                 genome_pair,
 153                                                 ignore_domains_without_combs_in_all_spec,
 154                                                 ignore_domains_specific_to_one_species );
 155                 SurfacingUtil.decoratePrintableDomainSimilarities( similarities,
 156                                                                    detailedness,
 157                                                                    go_annotation_output,
 158                                                                    go_id_to_term_map,
 159                                                                    go_namespace_limit );
 160                 final DescriptiveStatistics stats = SurfacingUtil
 161                         .calculateDescriptiveStatisticsForMeanValues( similarities );
 162                 final String species_j = species[ j ].getSpeciesId();
 163                 final DomainArchitectureBasedGenomeSimilarityCalculator genome_similarity_calculator = new DomainArchitectureBasedGenomeSimilarityCalculator( list_of_genome_wide_combinable_domains
 164                                                                                                                                                                       .get( i ),
 165                                                                                                                                                               list_of_genome_wide_combinable_domains
 166                                                                                                                                                                       .get( j ) );
 167                 genome_similarity_calculator.setAllowDomainsToBeIgnored( false );
 168                 double dissimilarity_score_mean;
 169                 if ( stats.getN() < 1 ) {
 170                     // No domains in common
 171                     dissimilarity_score_mean = 1.0;
 172                 }
 173                 else {
 174                     dissimilarity_score_mean = 1.0 - stats.arithmeticMean();
 175                 }
 176                 final double shared_domains_based_genome_distance = 1.0 - genome_similarity_calculator
 177                         .calculateSharedDomainsBasedGenomeSimilarityScore();
 178                 final double shared_binary_combinations_based_genome_distance = 1.0 - genome_similarity_calculator
 179                         .calculateSharedBinaryDomainCombinationBasedGenomeSimilarityScore();
 180                 domain_distance_scores_means.setValue( i, j, dissimilarity_score_mean );
 181                 shared_domains_based_distances.setValue( i, j, shared_domains_based_genome_distance );
 182                 shared_binary_combinations_based_distances.setValue( i,
 183                                                                      j,
 184                                                                      shared_binary_combinations_based_genome_distance );
 185                 if ( verbose ) {
 186                     System.out.print( species_i + "-" );
 187                     System.out.print( species_j + ": " );
 188                     System.out.print( ForesterUtil.round( dissimilarity_score_mean, 2 ) );
 189                     if ( stats.getN() > 1 ) {
 190                         System.out.print( " (" + ForesterUtil.round( stats.sampleStandardDeviation(), 2 ) + ")" );
 191                     }
 192                     else {
 193                         System.out.print( " (n/a)" );
 194                     }
 195                     System.out.print( " [" + stats.getN() + "]" );
 196                     System.out.print( " | " );
 197                     System.out.print( ForesterUtil.round( shared_domains_based_genome_distance, 2 ) );
 198                     System.out.print( " | " );
 199                     System.out.println( ForesterUtil.round( shared_binary_combinations_based_genome_distance, 2 ) );
 200                 }
 201                 String pairwise_similarities_output_file_str = automated_pairwise_comparison_prefix + species_i + "_"
 202                         + species_j + automated_pairwise_comparison_suffix;
 203                 switch ( domain_similarity_print_option ) {
 204                     case HTML:
 205                         if ( !pairwise_similarities_output_file_str.endsWith( ".html" ) ) {
 206                             pairwise_similarities_output_file_str += ".html";
 207                         }
 208                         break;
 209                 }
 210                 DescriptiveStatistics pw_stats = null;
 211                 if ( write_pairwise_comparisons ) {
 212                     try {
 213                         final Writer writer = new BufferedWriter( new FileWriter( out_dir == null ? pairwise_similarities_output_file_str
 214                                 : out_dir + ForesterUtil.FILE_SEPARATOR + pairwise_similarities_output_file_str ) );
 215                         pw_stats = SurfacingUtil.writeDomainSimilaritiesToFile( html_desc,
 216                                                                                 new StringBuilder( species_i + "-"
 217                                                                                         + species_j ),
 218                                                                                 writer,
 219                                                                                 null,
 220                                                                                 similarities,
 221                                                                                 true,
 222                                                                                 null,
 223                                                                                 domain_similarity_print_option,
 224                                                                                 domain_similarity_sort_field,
 225                                                                                 scoring,
 226                                                                                 false );
 227                     }
 228                     catch ( final IOException e ) {
 229                         ForesterUtil.fatalError( command_line_prg_name, "Failed to write similarites to: \""
 230                                 + pairwise_similarities_output_file_str + "\" [" + e.getMessage() + "]" );
 231                     }
 232                 }
 233                 if ( pw_stats != null ) {
 234                     if ( pw_stats.getMin() >= pw_stats.getMax() ) {
 235                         ForesterUtil
 236                                 .printWarningMessage( command_line_prg_name, "for [" + species_i + "-" + species_j
 237                                         + "] score minimum is [" + pw_stats.getMin() + "] while score maximum is ["
 238                                         + pw_stats.getMax()
 239                                         + "], possibly indicating that a genome is compared to itself" );
 240                     }
 241                 }
 242             }
 243         }
 244         getDomainDistanceScoresMeans().add( domain_distance_scores_means );
 245         getSharedDomainsBasedDistances().add( shared_domains_based_distances );
 246         getSharedBinaryCombinationsBasedDistances().add( shared_binary_combinations_based_distances );
 247         if ( verbose ) {
 248             System.out.println();
 249         }
 250     }
 251
 252     public void performPairwiseComparisonsJacknifed( final Species[] species,
 253                                                      final int number_of_genomes,
 254                                                      final List<GenomeWideCombinableDomains> list_of_genome_wide_combinable_domains,
 255                                                      final boolean verbose,
 256                                                      final int number_of_resamplings,
 257                                                      final double jacknife_ratio,
 258                                                      final long random_seed ) {
 259         init();
 260         if ( number_of_resamplings < 2 ) {
 261             throw new IllegalArgumentException( "attempt to perform jacknife resampling with less than 2 resamplings" );
 262         }
 263         if ( jacknife_ratio <= 0.0 ) {
 264             throw new IllegalArgumentException( "attempt to perform jacknife resampling with jacknife ratio of 0.0 or less" );
 265         }
 266         else if ( jacknife_ratio >= 1.0 ) {
 267             throw new IllegalArgumentException( "attempt to perform jacknife resampling with jacknife ratio 1.0 or more" );
 268         }
 269         final DomainId[] all_unique_domain_ids = getAllUniqueDomainIdAsArray( list_of_genome_wide_combinable_domains );
 270         if ( verbose ) {
 271             System.out.println();
 272             System.out.println( "Jacknife: total of domains: " + all_unique_domain_ids.length );
 273         }
 274         if ( verbose ) {
 275             System.out.print( "resampling " );
 276         }
 277         final Random generator = new Random( random_seed );
 278         for( int r = 0; r < number_of_resamplings; ++r ) {
 279             if ( verbose ) {
 280                 System.out.print( " " + r );
 281             }
 282             final SortedSet<DomainId> domain_ids_to_ignore = randomlyPickDomainIds( all_unique_domain_ids,
 283                                                                                     jacknife_ratio,
 284                                                                                     generator );
 285             final BasicSymmetricalDistanceMatrix shared_domains_based_distances = new BasicSymmetricalDistanceMatrix( number_of_genomes );
 286             final BasicSymmetricalDistanceMatrix shared_binary_combinations_based_distances = new BasicSymmetricalDistanceMatrix( number_of_genomes );
 287             for( int i = 0; i < number_of_genomes; ++i ) {
 288                 final String species_i = species[ i ].getSpeciesId();
 289                 shared_domains_based_distances.setIdentifier( i, species_i );
 290                 shared_binary_combinations_based_distances.setIdentifier( i, species_i );
 291                 for( int j = 0; j < i; ++j ) {
 292                     final List<GenomeWideCombinableDomains> genome_pair = new ArrayList<GenomeWideCombinableDomains>( 2 );
 293                     genome_pair.add( list_of_genome_wide_combinable_domains.get( i ) );
 294                     genome_pair.add( list_of_genome_wide_combinable_domains.get( j ) );
 295                     final DomainArchitectureBasedGenomeSimilarityCalculator genome_simiarity_calculator = new DomainArchitectureBasedGenomeSimilarityCalculator( list_of_genome_wide_combinable_domains
 296                                                                                                                                                                          .get( i ),
 297                                                                                                                                                                  list_of_genome_wide_combinable_domains
 298                                                                                                                                                                          .get( j ) );
 299                     genome_simiarity_calculator.setAllowDomainsToBeIgnored( true );
 300                     genome_simiarity_calculator.setDomainIdsToIgnore( domain_ids_to_ignore );
 301                     shared_domains_based_distances.setValue( i, j, 1.0 - genome_simiarity_calculator
 302                             .calculateSharedDomainsBasedGenomeSimilarityScore() );
 303                     shared_binary_combinations_based_distances.setValue( i, j, 1.0 - genome_simiarity_calculator
 304                             .calculateSharedBinaryDomainCombinationBasedGenomeSimilarityScore() );
 305                 }
 306             }
 307             getSharedDomainsBasedDistances().add( shared_domains_based_distances );
 308             getSharedBinaryCombinationsBasedDistances().add( shared_binary_combinations_based_distances );
 309         }
 310         if ( verbose ) {
 311             System.out.println();
 312         }
 313     }
 314
 315     static private DomainId[] getAllUniqueDomainIdAsArray( final List<GenomeWideCombinableDomains> list_of_genome_wide_combinable_domains ) {
 316         DomainId[] all_domain_ids_array;
 317         final SortedSet<DomainId> all_domain_ids = new TreeSet<DomainId>();
 318         for( final GenomeWideCombinableDomains genome_wide_combinable_domains : list_of_genome_wide_combinable_domains ) {
 319             final SortedSet<DomainId> all_domains = genome_wide_combinable_domains.getAllDomainIds();
 320             for( final DomainId domain : all_domains ) {
 321                 all_domain_ids.add( domain );
 322             }
 323         }
 324         all_domain_ids_array = new DomainId[ all_domain_ids.size() ];
 325         int n = 0;
 326         for( final DomainId domain_id : all_domain_ids ) {
 327             all_domain_ids_array[ n++ ] = domain_id;
 328         }
 329         return all_domain_ids_array;
 330     }
 331
 332     static private SortedSet<DomainId> randomlyPickDomainIds( final DomainId[] all_domain_ids_array,
 333                                                               final double jacknife_ratio,
 334                                                               final Random generator ) {
 335         final int size = all_domain_ids_array.length;
 336         final SortedSet<DomainId> random_domain_ids = new TreeSet<DomainId>();
 337         final int number_of_ids_pick = ForesterUtil.roundToInt( jacknife_ratio * size );
 338         while ( random_domain_ids.size() < number_of_ids_pick ) {
 339             final int r = generator.nextInt( size );
 340             random_domain_ids.add( all_domain_ids_array[ r ] );
 341         }
 342         return random_domain_ids;
 343     }
 344 }