// $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 // Copyright (C) 2000-2001 Washington University School of Medicine // and Howard Hughes Medical Institute // 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.application; import java.io.File; import java.io.FileWriter; import java.io.IOException; import java.io.PrintWriter; import java.util.ArrayList; import java.util.HashMap; import java.util.Vector; import org.forester.io.parsers.phyloxml.PhyloXmlParser; import org.forester.phylogeny.Phylogeny; import org.forester.phylogeny.PhylogenyMethods; import org.forester.phylogeny.PhylogenyNode; import org.forester.phylogeny.factories.ParserBasedPhylogenyFactory; import org.forester.phylogeny.factories.PhylogenyFactory; import org.forester.phylogeny.iterators.PreorderTreeIterator; import org.forester.sdi.DistanceCalculator; import org.forester.sdi.RIO; import org.forester.sdi.SDIException; import org.forester.sdi.SDIR; import org.forester.util.ForesterUtil; public class rio { final static private String PRG_NAME = "RIO"; final static private String PRG_VERSION = "2.03 ALPHA"; final static private String PRG_DATE = "2010.01.15"; final static private String E_MAIL = "czmasek@burnham.org"; final static private String WWW = "www.phylosoft.org/forester/"; final static private boolean TIME = true; final static private boolean VERBOSE = true; // For method getDistances -- calculation of distances. final static private boolean MINIMIZE_COST = false; // For method getDistances -- calculation of distances. final static private boolean MINIMIZE_DUPS = true; // For method getDistances -- calculation of distances. final static private boolean MINIMIZE_HEIGHT = true; final static private int WARN_NO_ORTHOS_DEFAULT = 2; final static private int // How many sd away from mean to root. WARN_MORE_THAN_ONE_ORTHO_DEFAULT = 2; // How many sd away from mean to LCA of orthos. final static private double THRESHOLD_ULTRA_PARALOGS_DEFAULT = 50; // How many sd away from mean to LCA of orthos. final static private double WARN_ONE_ORTHO_DEFAULT = 2; // Factor between the two distances to their LCA // (larger/smaller). // Factor between the two distances to their LCA // (larger/smaller). /** * Calculates the mean and standard deviation of all nodes of Phylogeny t * which have a bootstrap values zero or more. Returns null in case of * failure (e.g t has no bootstrap values, or just one). *

* * @param t * reference to a tree with bootstrap values * @return Array of doubles, [0] is the mean, [1] the standard deviation */ private static double[] calculateMeanBoostrapValue( final Phylogeny t ) { double b = 0; int n = 0; long sum = 0; double x = 0.0, mean = 0.0; final double[] da = new double[ 2 ]; final Vector bv = new Vector(); PhylogenyNode node = null; PreorderTreeIterator i = null; i = new PreorderTreeIterator( t ); // Calculates the mean. while ( i.hasNext() ) { node = i.next(); if ( !( ( node.getParent() != null ) && node.getParent().isRoot() && ( PhylogenyMethods.getConfidenceValue( node.getParent().getChildNode1() ) > 0 ) && ( PhylogenyMethods.getConfidenceValue( node.getParent().getChildNode2() ) > 0 ) && ( node .getParent().getChildNode2() == node ) ) ) { b = PhylogenyMethods.getConfidenceValue( node ); if ( b > 0 ) { sum += b; bv.addElement( new Double( b ) ); n++; } } // i.next(); } if ( n < 2 ) { return null; } mean = ( double ) sum / n; // Calculates the standard deviation. sum = 0; for( int j = 0; j < n; ++j ) { b = ( bv.elementAt( j ) ).intValue(); x = b - mean; sum += ( x * x ); } da[ 0 ] = mean; da[ 1 ] = java.lang.Math.sqrt( sum / ( n - 1.0 ) ); return da; } private final static void errorInCommandLine() { System.out.println( "\nrio: Error in command line.\n" ); printHelp(); System.exit( -1 ); } // Uses DistanceCalculator to calculate distances. private final static StringBuffer getDistances( final File tree_file_for_dist_val, final File outfile, final Phylogeny species_tree, final String seq_name, final ArrayList al_ortholog_names_for_dc, final HashMap ortholog_hashmap, final HashMap super_ortholog_hashmap, final int warn_more_than_one_ortho, final int warn_no_orthos, final double warn_one_ortho, final int bootstraps, final double t_orthologs_dc ) throws IOException, SDIException { Phylogeny consensus_tree = null; Phylogeny // to be a consensus tree. assigned_cons_tree = null; final SDIR sdiunrooted = new SDIR(); final ArrayList al_ortholog_nodes = new ArrayList(); double m = 0.0; double sd = 0.0; double d = 0.0; int n = 0; final PhylogenyFactory factory = ParserBasedPhylogenyFactory.getInstance(); consensus_tree = factory.create( tree_file_for_dist_val, new PhyloXmlParser() )[ 0 ]; PhylogenyMethods.taxonomyBasedDeletionOfExternalNodes( species_tree, consensus_tree ); assigned_cons_tree = sdiunrooted.infer( consensus_tree, species_tree, rio.MINIMIZE_COST, rio.MINIMIZE_DUPS, rio.MINIMIZE_HEIGHT, true, 1 )[ 0 ]; final DistanceCalculator dc = new DistanceCalculator(); final StringBuffer sb = new StringBuffer(); sb.append( "Given the threshold for distance calculations (" + ForesterUtil.roundToInt( t_orthologs_dc ) + "): " ); // No orthologs. if ( al_ortholog_names_for_dc.size() == 0 ) { dc.setTree( assigned_cons_tree ); // Remark. Calculation of mean and sd _does_ include the node // with seq_name. m = dc.getMean(); sd = dc.getStandardDeviation(); d = dc.getDistanceToRoot( seq_name ); n = dc.getN(); sb.append( "No sequence is considered orthologous to query." + "\ndistance of query to root = " + ForesterUtil.FORMATTER_06.format( d ) + "\nmean of distances (for all sequences) to root = " + ForesterUtil.FORMATTER_06.format( m ) + "\nsd of distances (for all sequences) to root = " + ForesterUtil.FORMATTER_06.format( sd ) + "\nn (sum of sequences in alignment plus query) = " + n ); if ( !( ( ( m - ( warn_no_orthos * sd ) ) < d ) && ( ( m + ( warn_no_orthos * sd ) ) > d ) ) ) { sb.append( "\nWARNING: distance of query to root is outside of mean+/-" + warn_no_orthos + "*sd!" ); } } // One ortholog. else if ( al_ortholog_names_for_dc.size() == 1 ) { final String name_of_ortholog = al_ortholog_names_for_dc.get( 0 ); al_ortholog_nodes.add( assigned_cons_tree.getNode( name_of_ortholog ) ); al_ortholog_nodes.add( assigned_cons_tree.getNode( seq_name ) ); dc.setTreeAndExtNodes( assigned_cons_tree, al_ortholog_nodes ); // Remark. Calculation of mean _does_ include the node // with seq_name. d = dc.getDistanceToLCA( seq_name ); final double d_o = dc.getDistanceToLCA( name_of_ortholog ); sb.append( "One sequence is considered orthologous to query." + "\nLCA is LCA of query and its ortholog." + "\ndistance of query to LCA = " + ForesterUtil.FORMATTER_06.format( d ) + "\ndistance of ortholog to LCA = " + ForesterUtil.FORMATTER_06.format( d_o ) ); if ( ( d_o > 0.0 ) && ( d > 0.0 ) && ( ( ( d_o >= d ) && ( ( d_o / d ) > warn_one_ortho ) ) || ( ( d_o < d ) && ( ( d / d_o ) > warn_one_ortho ) ) ) ) { sb.append( "\nWARNING: Ratio of distances to LCA is greater than " + warn_one_ortho + "!" ); } else if ( ( ( d_o == 0.0 ) || ( d == 0.0 ) ) && ( ( d_o != 0.0 ) || ( d != 0.0 ) ) ) { sb.append( "\nWARNING: Ratio could not be calculated, " + " one distance is 0.0!" ); } } // More than one ortholog. else { for( int i = 0; i < al_ortholog_names_for_dc.size(); ++i ) { al_ortholog_nodes.add( assigned_cons_tree.getNodeViaSequenceName( al_ortholog_names_for_dc.get( i ) ) ); } al_ortholog_nodes.add( assigned_cons_tree.getNodesViaSequenceName( seq_name ).get( 0 ) ); dc.setTreeAndExtNodes( assigned_cons_tree, al_ortholog_nodes ); // Remark. Calculation of mean and sd _does_ include the node // with seq_name. m = dc.getMean(); sd = dc.getStandardDeviation(); d = dc.getDistanceToLCA( seq_name ); n = dc.getN(); sb.append( "More than one sequence is considered orthologous to query." + "\nLCA is LCA of query and its orthologs." + "\ndistance of query to LCA = " + ForesterUtil.FORMATTER_06.format( d ) + "\nmean of distances (for query and its orthologs) to LCA = " + ForesterUtil.FORMATTER_06.format( m ) + "\nsd of distances (for query and its orthologs) to LCA = " + ForesterUtil.FORMATTER_06.format( sd ) + "\nn (sum of orthologs plus query) = " + n ); if ( !( ( ( m - ( warn_more_than_one_ortho * sd ) ) < d ) && ( ( m + ( warn_more_than_one_ortho * sd ) ) > d ) ) ) { sb.append( "\n!WARNING: distance of query to LCA is outside of mean+/-" + warn_more_than_one_ortho + "*sd!" ); } } return sb; } public static void main( final String[] args ) { ForesterUtil.printProgramInformation( PRG_NAME, PRG_VERSION, PRG_DATE, E_MAIL, WWW ); File species_tree_file = null; File multiple_trees_file = null; File outfile = null; File distance_matrix_file = null; File tree_file_for_dist_val = null; File tree_file_for_avg_bs = null; String seq_name = ""; String arg = ""; boolean output_ultraparalogs = false; ArrayList orthologs_al_for_dc = null; double t_orthologs = 0.0; double t_sn = 0.0; double t_orthologs_dc = 0.0; double[] bs_mean_sd = null; int sort = 13; Phylogeny species_tree = null; RIO rio_instance = null; PrintWriter out = null; long time = 0; int warn_no_orthos = WARN_NO_ORTHOS_DEFAULT; int warn_more_than_one_ortho = WARN_MORE_THAN_ONE_ORTHO_DEFAULT; double warn_one_ortho = WARN_ONE_ORTHO_DEFAULT; double threshold_ultra_paralogs = THRESHOLD_ULTRA_PARALOGS_DEFAULT; if ( args.length < 2 ) { printHelp(); System.exit( 0 ); } else if ( ( args.length < 3 ) || ( args.length > 18 ) ) { errorInCommandLine(); } for( final String arg2 : args ) { if ( arg2.trim().charAt( 0 ) != 'p' ) { if ( arg2.trim().length() < 3 ) { errorInCommandLine(); } else { arg = arg2.trim().substring( 2 ); } } try { switch ( arg2.trim().charAt( 0 ) ) { case 'M': multiple_trees_file = new File( arg ); break; case 'N': seq_name = arg; break; case 'S': species_tree_file = new File( arg ); break; case 'O': outfile = new File( arg ); break; case 'D': distance_matrix_file = new File( arg ); break; case 'T': tree_file_for_dist_val = new File( arg ); break; case 't': tree_file_for_avg_bs = new File( arg ); break; case 'p': output_ultraparalogs = true; break; case 'P': sort = Integer.parseInt( arg ); if ( ( sort < 0 ) || ( sort > 17 ) ) { errorInCommandLine(); } break; case 'L': t_orthologs = Double.parseDouble( arg ); break; case 'B': t_sn = Double.parseDouble( arg ); break; case 'U': t_orthologs_dc = Double.parseDouble( arg ); break; case 'v': threshold_ultra_paralogs = Double.parseDouble( arg ); break; case 'X': warn_more_than_one_ortho = Integer.parseInt( arg ); break; case 'Y': warn_no_orthos = Integer.parseInt( arg ); break; case 'Z': warn_one_ortho = Double.parseDouble( arg ); break; default: errorInCommandLine(); } } catch ( final Exception e ) { errorInCommandLine(); } } if ( ( seq_name == "" ) || ( species_tree_file == null ) || ( multiple_trees_file == null ) || ( outfile == null ) ) { errorInCommandLine(); } if ( ( sort < 0 ) || ( sort > 17 ) ) { errorInCommandLine(); } if ( ( sort > 2 ) && ( distance_matrix_file == null ) ) { errorInCommandLine(); } if ( VERBOSE ) { System.out.println( "\nMultiple trees file: " + multiple_trees_file ); System.out.println( "Seq name: " + seq_name ); System.out.println( "Species tree file: " + species_tree_file ); System.out.println( "Outfile: " + outfile ); if ( distance_matrix_file != null ) { System.out.println( "Distance matrix file: " + distance_matrix_file ); } if ( tree_file_for_dist_val != null ) { if ( tree_file_for_avg_bs == null ) { System.out.println( "Phy to read dists and calc mean support from: " + tree_file_for_dist_val ); } else { System.out.println( "Phylogeny to read dist values from: " + tree_file_for_dist_val ); } } if ( tree_file_for_avg_bs != null ) { System.out.println( "Phylogeny to calc mean bootstrap from: " + tree_file_for_avg_bs ); } System.out.println( "Sort: " + sort ); System.out.println( "Threshold orthologs: " + t_orthologs ); System.out.println( "Threshold subtree neighborings: " + t_sn ); System.out.println( "Threshold orthologs for distance calc.: " + t_orthologs_dc ); if ( output_ultraparalogs ) { System.out.println( "Threshold ultra paralogs: " + threshold_ultra_paralogs ); } System.out.println( "More than one ortholog sd diff: " + warn_more_than_one_ortho ); System.out.println( "No orthologs sd diff: " + warn_no_orthos ); System.out.println( "One ortholog factor : " + warn_one_ortho + "\n" ); } if ( TIME && VERBOSE ) { time = System.currentTimeMillis(); } try { final PhylogenyFactory factory = ParserBasedPhylogenyFactory.getInstance(); species_tree = factory.create( species_tree_file, new PhyloXmlParser() )[ 0 ]; } catch ( final Exception e ) { e.printStackTrace(); System.exit( -1 ); } if ( !species_tree.isRooted() ) { ForesterUtil.printErrorMessage( PRG_NAME, "Species tree is not rooted" ); System.exit( -1 ); } if ( !species_tree.isCompletelyBinary() ) { ForesterUtil.printErrorMessage( PRG_NAME, "Species tree is not completely binary" ); System.exit( -1 ); } rio_instance = new RIO(); final StringBuffer output = new StringBuffer(); try { if ( distance_matrix_file != null ) { rio_instance.readDistanceMatrix( distance_matrix_file ); } rio_instance.inferOrthologs( multiple_trees_file, species_tree.copy(), seq_name ); output.append( rio_instance.inferredOrthologsToString( seq_name, sort, t_orthologs, t_sn ) ); if ( tree_file_for_dist_val != null ) { orthologs_al_for_dc = rio_instance.inferredOrthologsToArrayList( seq_name, t_orthologs_dc ); final PhylogenyFactory factory = ParserBasedPhylogenyFactory.getInstance(); if ( tree_file_for_avg_bs != null ) { final Phylogeny p = factory.create( tree_file_for_avg_bs, new PhyloXmlParser() )[ 0 ]; bs_mean_sd = calculateMeanBoostrapValue( p ); } else { final Phylogeny p = factory.create( tree_file_for_dist_val, new PhyloXmlParser() )[ 0 ]; bs_mean_sd = calculateMeanBoostrapValue( p ); } if ( ( bs_mean_sd != null ) && ( bs_mean_sd.length == 2 ) ) { final double bs_mean = bs_mean_sd[ 0 ]; final double bs_sd = bs_mean_sd[ 1 ]; output.append( "\n\nMean bootstrap value of consensus tree (sd): " + ForesterUtil.roundToInt( ( bs_mean * 100.0 ) / rio_instance.getBootstraps() ) + "% (+/-" + ForesterUtil.roundToInt( ( bs_sd * 100.0 ) / rio_instance.getBootstraps() ) + "%)\n" ); } output.append( "\n\nDistance values:\n" ); output.append( getDistances( tree_file_for_dist_val, outfile, species_tree, seq_name, orthologs_al_for_dc, rio_instance.getInferredOrthologs( seq_name ), rio_instance.getInferredSuperOrthologs( seq_name ), warn_more_than_one_ortho, warn_no_orthos, warn_one_ortho, rio_instance.getBootstraps(), t_orthologs_dc ) ); } if ( output_ultraparalogs ) { output.append( "\n\nUltra paralogs:\n" ); output.append( rio_instance .inferredUltraParalogsToString( seq_name, sort > 2, threshold_ultra_paralogs ) ); } output.append( "\n\nSort priority: " + RIO.getOrder( sort ) ); output.append( "\nExt nodes : " + rio_instance.getExtNodesOfAnalyzedGeneTrees() ); output.append( "\nSamples : " + rio_instance.getBootstraps() + "\n" ); out = new PrintWriter( new FileWriter( outfile ), true ); } catch ( final Exception e ) { ForesterUtil.printErrorMessage( PRG_NAME, e.getLocalizedMessage() ); e.printStackTrace(); System.exit( -1 ); } out.println( output ); out.close(); ForesterUtil.programMessage( PRG_NAME, "wrote results to \"" + outfile + "\"" ); if ( TIME && VERBOSE ) { time = System.currentTimeMillis() - time; ForesterUtil.programMessage( PRG_NAME, "time: " + time + "ms" ); } ForesterUtil.programMessage( PRG_NAME, "OK." ); System.exit( 0 ); } private final static void printHelp() { System.out.println( "M= (String) Multiple gene tree file (mandatory)" ); System.out.println( "N= (String) Query sequence name (mandatory)" ); System.out.println( "S= (String) Species tree file (mandatory)" ); System.out.println( "O= (String) Output file name -- overwritten without warning! (mandatory)" ); System.out.println( "D= (String) Distance matrix file for pairwise distances" ); System.out.println( "T= (String) Phylogeny file for distances of query to LCA" ); System.out.println( " of orthologs and for mean bootstrap value (if t= is not used)," ); System.out.println( " must be binary )" ); System.out.println( "t= (String) Phylogeny file for mean bootstrap value (if this option is used," ); System.out.println( " the mean bootstrap value is not calculated from the tree read in" ); System.out.println( " with T=), not necessary binary" ); System.out.println( "p To output ultra paralogs" ); System.out.println( "P= (int) Sort priority" ); System.out.println( "L= (double) Threshold orthologs for output" ); System.out.println( "U= (double) Threshold orthologs for distance calculation" ); System.out.println( "X= (int) More than one ortholog: " ); System.out.println( " numbers of sd the dist. to LCA has to differ from mean to generate a warning" ); System.out.println( "Y= (int) No orthologs:" ); System.out.println( " Numbers of sd the dist to root has to differ from mean to generate a warning" ); System.out.println( "Z= (double) One ortholog:" ); System.out.println( " threshold for factor between the two distances to their LCA (larger/smaller)" ); System.out.println( " to generate a warning" ); System.out.println(); System.out.println( " Sort priority (\"P=\"):" ); System.out.println( RIO.getOrderHelp().toString() ); System.out.println(); System.out .println( " Example: \"rio M=gene_trees.xml N=bcl2_NEMVE S=species_tree.xml D=distances P=13 p O=out\"" ); System.out.println(); } }