// $Id: // 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.evoinference.distance; import java.util.ArrayList; import java.util.List; import org.forester.evoinference.matrix.distance.BasicSymmetricalDistanceMatrix; import org.forester.phylogeny.Phylogeny; import org.forester.phylogeny.PhylogenyNode; import org.forester.util.ForesterUtil; public final class NeighborJoining { private BasicSymmetricalDistanceMatrix _d; private BasicSymmetricalDistanceMatrix _m; private double[][] _d_values; private double[][] _m_values; private double[] _r; private int _n; private PhylogenyNode[] _external_nodes; private int[] _mappings; private final boolean _verbose; private final static boolean DEBUG = false; private NeighborJoining( final boolean verbose ) { _verbose = verbose; } private final void calculateDistancesFromNewNode( final int otu1, final int otu2, final double d ) { final int otu1_m = _mappings[ otu1 ]; final int otu2_m = _mappings[ otu2 ]; int i_m; for( int i = 0; i < _n; ++i ) { if ( ( i == otu1 ) || ( i == otu2 ) ) { continue; } // _d_values[ _mappings[ otu1 ] ][ _mappings[ i ] ] = ( getValueFromD( otu1, i ) + getValueFromD( i, otu2 ) - d ) / 2; i_m = _mappings[ i ]; _d_values[ otu1_m ][ i_m ] = ( _d_values[ otu1_m ][ i_m ] + _d_values[ i_m ][ otu2_m ] - 2 ) / 2; } } private final void calculateNetDivergences() { double d; int i_m; for( int i = 0; i < _n; ++i ) { d = 0; i_m = _mappings[ i ]; for( int n = 0; n < _n; ++n ) { d += _d_values[ i_m ][ _mappings[ n ] ]; //d += getValueFromD( i, n ); } _r[ i ] = d; } } public final Phylogeny execute( final BasicSymmetricalDistanceMatrix distance ) { reset( distance ); final Phylogeny phylogeny = new Phylogeny(); while ( _n > 2 ) { updateM(); // Calculates the minimal distance. // If more than one minimal distances, always the first found is used // could randomize this, so that any would be returned in a randomized fashion... double minimum = Double.MAX_VALUE; int otu1 = -1; int otu2 = -1; for( int j = 1; j < _n; ++j ) { for( int i = 0; i < j; ++i ) { if ( _m_values[ i ][ j ] < minimum ) { minimum = _m_values[ i ][ j ]; otu1 = i; otu2 = j; } } } // It is a condition that otu1 < otu2. if ( DEBUG ) { if ( otu1 > otu2 ) { throw new RuntimeException( "NJ code is faulty: otu1 > otu2" ); } } final PhylogenyNode node = new PhylogenyNode(); final double d = getValueFromD( otu1, otu2 ); final double d1 = ( d / 2 ) + ( ( _r[ otu1 ] - _r[ otu2 ] ) / ( 2 * ( _n - 2 ) ) ); final double d2 = d - d1; getExternalPhylogenyNode( otu1 ).setDistanceToParent( d1 ); getExternalPhylogenyNode( otu2 ).setDistanceToParent( d2 ); node.addAsChild( getExternalPhylogenyNode( otu1 ) ); node.addAsChild( getExternalPhylogenyNode( otu2 ) ); if ( _verbose ) { printProgress( otu1, otu2 ); } calculateDistancesFromNewNode( otu1, otu2, d ); _external_nodes[ _mappings[ otu1 ] ] = node; updateMappings( otu2 ); --_n; } final double d = getValueFromD( 0, 1 ) / 2; getExternalPhylogenyNode( 0 ).setDistanceToParent( d ); getExternalPhylogenyNode( 1 ).setDistanceToParent( d ); final PhylogenyNode root = new PhylogenyNode(); root.addAsChild( getExternalPhylogenyNode( 0 ) ); root.addAsChild( getExternalPhylogenyNode( 1 ) ); if ( _verbose ) { printProgress( 0, 1 ); } phylogeny.setRoot( root ); phylogeny.setRooted( false ); return phylogeny; } public final List execute( final List distances_list ) { final List pl = new ArrayList(); for( final BasicSymmetricalDistanceMatrix distances : distances_list ) { pl.add( execute( distances ) ); } return pl; } private final PhylogenyNode getExternalPhylogenyNode( final int i ) { return _external_nodes[ _mappings[ i ] ]; } private final double getValueFromD( final int otu1, final int otu2 ) { return _d_values[ _mappings[ otu1 ] ][ _mappings[ otu2 ] ]; } private final void initExternalNodes() { _external_nodes = new PhylogenyNode[ _n ]; String id; for( int i = 0; i < _n; ++i ) { _external_nodes[ i ] = new PhylogenyNode(); id = _d.getIdentifier( i ); if ( id != null ) { _external_nodes[ i ].setName( id ); } else { _external_nodes[ i ].setName( "" + i ); } _mappings[ i ] = i; } } private final void printProgress( final int otu1, final int otu2 ) { final PhylogenyNode n1 = getExternalPhylogenyNode( otu1 ); final PhylogenyNode n2 = getExternalPhylogenyNode( otu2 ); System.out.println( "Node " + ( ForesterUtil.isEmpty( n1.getName() ) ? n1.getId() : n1.getName() ) + " joins " + ( ForesterUtil.isEmpty( n2.getName() ) ? n2.getId() : n2.getName() ) ); } // only the values in the lower triangle are used. // !matrix values will be changed! private final void reset( final BasicSymmetricalDistanceMatrix distances ) { _n = distances.getSize(); _d = distances; _m = new BasicSymmetricalDistanceMatrix( _n ); _r = new double[ _n ]; _mappings = new int[ _n ]; _d_values = _d.getValues(); _m_values = _m.getValues(); initExternalNodes(); } private final void updateM() { calculateNetDivergences(); double r_j; int j_m; final int _n_2 = _n - 2; for( int j = 1; j < _n; ++j ) { r_j = _r[ j ]; j_m = _mappings[ j ]; for( int i = 0; i < j; ++i ) { // _m_values[ i ][ j ] = getValueFromD( i, j ) - ( _r[ i ] + r_j ) / ( _n - 2 ); _m_values[ i ][ j ] = _d_values[ _mappings[ i ] ][ j_m ] - ( _r[ i ] + r_j ) / ( _n_2 ); } } } // otu2 will, in effect, be "deleted" from the matrix. private final void updateMappings( final int otu2 ) { for( int i = otu2; i < _mappings.length - 1; ++i ) { _mappings[ i ] = _mappings[ i + 1 ]; } } public final static NeighborJoining createInstance() { return new NeighborJoining( false ); } public final static NeighborJoining createInstance( final boolean verbose ) { return new NeighborJoining( verbose ); } }