// $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.evoinference.matrix.distance.DistanceMatrix; import org.forester.phylogeny.Phylogeny; import org.forester.phylogeny.PhylogenyNode; import org.forester.phylogeny.PhylogenyNodeI; import org.forester.util.ForesterUtil; public class NeighborJoining { private final static boolean VERBOSE_DEFAULT = false; private DistanceMatrix _d; private DistanceMatrix _m; private double[] _r; private int _n; private PhylogenyNodeI[] _external_nodes; private int[] _mappings; private boolean _verbose; public NeighborJoining() { init(); } private void calculateDistancesFromNewNode( final int otu1, final int otu2, final double d ) { for( int i = 0; i < _n; ++i ) { if ( ( i == otu1 ) || ( i == otu2 ) ) { continue; } final double nd = ( getValueFromD( otu1, i ) + getValueFromD( i, otu2 ) - d ) / 2; setValueInD( nd, otu1, i ); } } private double calculateM( final int i, final int j ) { return getValueFromD( i, j ) - ( _r[ i ] + _r[ j ] ) / ( _n - 2 ); } private void calculateNetDivergences() { for( int i = 0; i < _n; ++i ) { double d = 0.0; for( int n = 0; n < _n; ++n ) { d += getValueFromD( i, n ); } _r[ i ] = d; } } public Phylogeny execute( final DistanceMatrix distance ) { reset( distance ); final Phylogeny phylogeny = new Phylogeny(); while ( _n > 2 ) { updateM(); final int[] s = findMinimalDistance(); final int otu1 = s[ 0 ]; final int otu2 = s[ 1 ]; // It is a condition that otu1 < otu2. if ( otu1 > otu2 ) { throw new AssertionError( "NJ code is faulty: otu1 > otu2" ); } final PhylogenyNodeI 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 ( isVerbose() ) { printProgress( otu1, otu2 ); } calculateDistancesFromNewNode( otu1, otu2, d ); setExternalPhylogenyNode( node, otu1 ); updateMappings( otu2 ); --_n; } final double d = getValueFromD( 0, 1 ) / 2; getExternalPhylogenyNode( 0 ).setDistanceToParent( d ); getExternalPhylogenyNode( 1 ).setDistanceToParent( d ); final PhylogenyNodeI root = new PhylogenyNode(); root.addAsChild( getExternalPhylogenyNode( 0 ) ); root.addAsChild( getExternalPhylogenyNode( 1 ) ); if ( isVerbose() ) { printProgress( 0, 1 ); } phylogeny.setRoot( ( PhylogenyNode ) root ); phylogeny.setRooted( false ); return phylogeny; } public List execute( final List distances_list ) { final List pl = new ArrayList(); for( final DistanceMatrix distances : distances_list ) { pl.add( execute( distances ) ); } return pl; } private int[] findMinimalDistance() { // if more than one minimal distances, always the first found is // returned // i could randomize this, so that any would be returned in a randomized // fashion... double minimum = Double.MAX_VALUE; int otu_1 = -1; int otu_2 = -1; for( int j = 1; j < _n; ++j ) { for( int i = 0; i < j; ++i ) { if ( _m.getValue( i, j ) < minimum ) { minimum = _m.getValue( i, j ); otu_1 = i; otu_2 = j; } } } return new int[] { otu_1, otu_2 }; } private PhylogenyNodeI getExternalPhylogenyNode( final int i ) { return _external_nodes[ _mappings[ i ] ]; } private double getValueFromD( final int otu1, final int otu2 ) { return _d.getValue( _mappings[ otu1 ], _mappings[ otu2 ] ); } private void init() { setVerbose( VERBOSE_DEFAULT ); } private void initExternalNodes() { _external_nodes = new PhylogenyNodeI[ _n ]; for( int i = 0; i < _n; ++i ) { _external_nodes[ i ] = new PhylogenyNode(); final String id = _d.getIdentifier( i ); if ( id != null ) { _external_nodes[ i ].setName( id ); } else { _external_nodes[ i ].setName( "" + i ); } _mappings[ i ] = i; } } private boolean isVerbose() { return _verbose; } private void printProgress( final int otu1, final int otu2 ) { final PhylogenyNodeI n1 = getExternalPhylogenyNode( otu1 ); final PhylogenyNodeI 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 void reset( final DistanceMatrix distances ) { _n = distances.getSize(); _d = distances; _m = new BasicSymmetricalDistanceMatrix( _n ); _r = new double[ _n ]; _mappings = new int[ _n ]; initExternalNodes(); } private void setExternalPhylogenyNode( final PhylogenyNodeI node, final int i ) { _external_nodes[ _mappings[ i ] ] = node; } private void setValueInD( final double d, final int otu1, final int otu2 ) { _d.setValue( _mappings[ otu1 ], _mappings[ otu2 ], d ); } public void setVerbose( final boolean verbose ) { _verbose = verbose; } private void updateM() { calculateNetDivergences(); for( int j = 1; j < _n; ++j ) { for( int i = 0; i < j; ++i ) { _m.setValue( i, j, calculateM( i, j ) ); } } } // otu2 will, in effect, be "deleted" from the matrix. private void updateMappings( final int otu2 ) { for( int i = otu2; i < _mappings.length - 1; ++i ) { _mappings[ i ] = _mappings[ i + 1 ]; } } public static NeighborJoining createInstance() { return new NeighborJoining(); } }