// $Id: // Exp $ // // FORESTER -- software libraries and applications // for evolutionary biology research and applications. // // Copyright (C) 2008-2009 Christian M. Zmasek // Copyright (C) 2008-2009 Burnham Institute for Medical Research // All rights reserved // // This library is free software; you can redistribute it and/or // modify it under the terms of the GNU Lesser General Public // License as published by the Free Software Foundation; either // version 2.1 of the License, or (at your option) any later version. // // This library is distributed in the hope that it will be useful, // but WITHOUT ANY WARRANTY; without even the implied warranty of // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU // Lesser General Public License for more details. // // You should have received a copy of the GNU Lesser General Public // License along with this library; if not, write to the Free Software // Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA // // Contact: phylosoft @ gmail . com // WWW: www.phylosoft.org/forester package org.forester.surfacing; import java.util.ArrayList; import java.util.List; import java.util.SortedMap; import java.util.SortedSet; import java.util.TreeMap; import java.util.TreeSet; import org.forester.util.BasicDescriptiveStatistics; import org.forester.util.DescriptiveStatistics; public class BasicDomainSimilarityCalculator implements DomainSimilarityCalculator { final DomainSimilarity.DomainSimilaritySortField _sort; private final boolean _sort_by_species_count_first; private final boolean _treat_as_binary_comparison; public BasicDomainSimilarityCalculator( final DomainSimilarity.DomainSimilaritySortField sort, final boolean sort_by_species_count_first, final boolean treat_as_binary_comparison ) { _sort = sort; _sort_by_species_count_first = sort_by_species_count_first; _treat_as_binary_comparison = treat_as_binary_comparison; } @Override public SortedSet calculateSimilarities( final PairwiseDomainSimilarityCalculator pairwise_calculator, final List cdc_list, final boolean ignore_domains_without_combinations_in_any_genome, final boolean ignore_domains_specific_to_one_genome ) { if ( cdc_list.size() < 2 ) { throw new IllegalArgumentException( "attempt to calculate multiple combinable domains similarity for less than two combinale domains collections" ); } final SortedSet similarities = new TreeSet(); final SortedSet keys = new TreeSet(); for( final GenomeWideCombinableDomains cdc : cdc_list ) { keys.addAll( ( cdc ).getAllCombinableDomainsIds().keySet() ); } for( final DomainId key : keys ) { final List same_id_cd_list = new ArrayList( cdc_list.size() ); final List species_with_key_id_domain = new ArrayList(); for( final GenomeWideCombinableDomains cdc : cdc_list ) { if ( cdc.contains( key ) ) { same_id_cd_list.add( cdc.get( key ) ); species_with_key_id_domain.add( cdc.getSpecies() ); } } if ( ignore_domains_without_combinations_in_any_genome ) { //TODO: test me..........................................<<<<<<<<<<<<< boolean without_combinations = true; for( final CombinableDomains cd : same_id_cd_list ) { if ( cd.getNumberOfCombinableDomains() > 0 ) { without_combinations = false; break; } } if ( without_combinations ) { continue; } } // BIG CHANGE IN LOGIC: Tuesday July 08, 0;55 // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ // OLD: if ( same_id_cd_list.size() > 1 ) { if ( same_id_cd_list.size() > 0 ) { if ( !ignore_domains_specific_to_one_genome || ( same_id_cd_list.size() > 1 ) ) { final DomainSimilarity s = calculateSimilarity( pairwise_calculator, same_id_cd_list ); if ( s != null ) { similarities.add( s ); } else { throw new RuntimeException( "similarity is null: this should not have happened" ); } } } // ~~~ NEW: else { throw new RuntimeException( "this should not have happened" ); } // ~~~ OLD: // else if ( same_id_cd_list.size() == 1 ) { // TODO need to go in file // System.out.println( "only in one species [" + // species_with_key_id_domain.get( 0 ) + "]: " + key_id ); //} //else { // throw new RuntimeException( "this should not have happened" ); // } } return similarities; } private DomainSimilarity calculateSimilarity( final PairwiseDomainSimilarityCalculator pairwise_calculator, final List domains_list ) { if ( domains_list.size() == 1 ) { // BIG CHANGE IN LOGIC: Tuesday July 08, 0;55 // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ // ~~~OLD: //throw new IllegalArgumentException( "attempt to calculate multiple combinable domains similarity for less than two combinable domains" ); // ~~~new: final SortedMap species_data = new TreeMap(); species_data.put( domains_list.get( 0 ).getSpecies(), createSpeciesSpecificDomainSimilariyData( domains_list.get( 0 ) ) ); return new PrintableDomainSimilarity( domains_list.get( 0 ), 1.0, 1.0, 1.0, 1.0, 0.0, 0, 0, 0, species_data, getSort(), isSortBySpeciesCountFirst(), isTreatAsBinaryComparison() ); } final DescriptiveStatistics stat = new BasicDescriptiveStatistics(); final SortedMap species_data = new TreeMap(); species_data.put( domains_list.get( 0 ).getSpecies(), createSpeciesSpecificDomainSimilariyData( domains_list.get( 0 ) ) ); int max_difference_in_counts = 0; int max_difference = 0; final boolean is_domain_combination_based = pairwise_calculator instanceof CombinationsBasedPairwiseDomainSimilarityCalculator; for( int i = 1; i < domains_list.size(); ++i ) { species_data.put( domains_list.get( i ).getSpecies(), createSpeciesSpecificDomainSimilariyData( domains_list.get( i ) ) ); final CombinableDomains domains_i = domains_list.get( i ); for( int j = 0; j < i; ++j ) { final PairwiseDomainSimilarity pairwise_similarity = pairwise_calculator .calculateSimilarity( domains_i, domains_list.get( j ) ); final int difference_in_counts = pairwise_similarity.getDifferenceInCounts(); int difference = 0; if ( is_domain_combination_based ) { difference = ( ( CombinationsBasedPairwiseDomainSimilarity ) pairwise_similarity ) .getNumberOfDifferentDomains(); } else { difference = difference_in_counts; } if ( Math.abs( difference_in_counts ) > Math.abs( max_difference_in_counts ) ) { max_difference_in_counts = difference_in_counts; } if ( Math.abs( difference ) > Math.abs( max_difference ) ) { max_difference = difference; } stat.addValue( pairwise_similarity.getSimilarityScore() ); } } if ( stat.getN() < 1 ) { throw new AssertionError( "empty descriptive statistics: this should not have happened" ); } if ( ( stat.getN() != 1 ) && isTreatAsBinaryComparison() ) { throw new IllegalArgumentException( "attmpt to treat similarity with N not equal to one as binary comparison" ); } if ( ( /*stat.getN() != 1 ||*/!isTreatAsBinaryComparison() ) && ( max_difference_in_counts < 0 ) ) { max_difference_in_counts = Math.abs( max_difference_in_counts ); if ( !is_domain_combination_based ) { max_difference = Math.abs( max_difference ); //=max_difference_in_counts for !is_domain_combination_based. } } DomainSimilarity similarity = null; if ( stat.getN() == 1 ) { similarity = new PrintableDomainSimilarity( domains_list.get( 0 ), stat.getMin(), stat.getMax(), stat.arithmeticMean(), stat.median(), 0.0, stat.getN(), max_difference_in_counts, max_difference, species_data, getSort(), isSortBySpeciesCountFirst(), isTreatAsBinaryComparison() ); } else { similarity = new PrintableDomainSimilarity( domains_list.get( 0 ), stat.getMin(), stat.getMax(), stat.arithmeticMean(), stat.median(), stat.sampleStandardDeviation(), stat.getN(), max_difference_in_counts, max_difference, species_data, getSort(), isSortBySpeciesCountFirst(), isTreatAsBinaryComparison() ); } return similarity; } private DomainSimilarity.DomainSimilaritySortField getSort() { return _sort; } private boolean isSortBySpeciesCountFirst() { return _sort_by_species_count_first; } private boolean isTreatAsBinaryComparison() { return _treat_as_binary_comparison; } private static SpeciesSpecificDomainSimilariyData createSpeciesSpecificDomainSimilariyData( final CombinableDomains cd ) { final SpeciesSpecificDomainSimilariyData sd = new PrintableSpeciesSpecificDomainSimilariyData( cd.getKeyDomainProteinsCount(), cd.getKeyDomainCount(), cd.getNumberOfCombinableDomains(), cd.getKeyDomainConfidenceDescriptiveStatistics() ); for( final DomainId domain : cd.getCombinableDomains() ) { sd.addProteinsExhibitingCombinationCount( domain, cd.getNumberOfProteinsExhibitingCombination( domain ) ); } return sd; } }