"rio" work
[jalview.git] / forester / java / src / org / forester / application / rio.java
index b9a1573..13b2ade 100644 (file)
 package org.forester.application;
 
 import java.io.File;
-import java.io.FileWriter;
-import java.io.PrintWriter;
+import java.io.IOException;
+import java.util.ArrayList;
+import java.util.List;
 
+import org.forester.datastructures.IntMatrix;
 import org.forester.io.parsers.phyloxml.PhyloXmlParser;
 import org.forester.phylogeny.Phylogeny;
+import org.forester.phylogeny.PhylogenyMethods;
 import org.forester.phylogeny.factories.ParserBasedPhylogenyFactory;
 import org.forester.phylogeny.factories.PhylogenyFactory;
-import org.forester.sdi.RIO;
+import org.forester.rio.RIO;
+import org.forester.rio.RIO.REROOTING;
+import org.forester.rio.RIOException;
+import org.forester.sdi.SDIException;
+import org.forester.sdi.SDIutil.ALGORITHM;
+import org.forester.util.BasicDescriptiveStatistics;
+import org.forester.util.CommandLineArguments;
+import org.forester.util.EasyWriter;
 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;
-
-    private final static void errorInCommandLine() {
-        System.out.println( "\nrio: Error in command line.\n" );
-        printHelp();
-        System.exit( -1 );
-    }
+    final static private String PRG_NAME      = "rio";
+    final static private String PRG_VERSION   = "4.000 beta 3";
+    final static private String PRG_DATE      = "2012.12.17";
+    final static private String E_MAIL        = "czmasek@burnham.org";
+    final static private String WWW           = "www.phylosoft.org/forester/";
+    final static private String HELP_OPTION_1 = "help";
+    final static private String HELP_OPTION_2 = "h";
+    final static private String USE_SDIR      = "b";
 
     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;
-        String seq_name = "";
-        String arg = "";
-        boolean output_ultraparalogs = false;
-        double t_orthologs = 0.0;
-        double t_orthologs_dc = 0.0;
-        double threshold_ultra_paralogs = 0.0;
-        int sort = 13;
-        Phylogeny species_tree = null;
-        RIO rio_instance = null;
-        PrintWriter out = null;
-        long time = 0;
-        if ( args.length < 2 ) {
+        ForesterUtil.printProgramInformation( PRG_NAME,
+                                              "resampled inference of orthologs",
+                                              PRG_VERSION,
+                                              PRG_DATE,
+                                              E_MAIL,
+                                              WWW,
+                                              ForesterUtil.getForesterLibraryInformation() );
+        CommandLineArguments cla = null;
+        try {
+            cla = new CommandLineArguments( args );
+        }
+        catch ( final Exception e ) {
+            ForesterUtil.fatalError( PRG_NAME, e.getMessage() );
+        }
+        if ( cla.isOptionSet( HELP_OPTION_1 ) || cla.isOptionSet( HELP_OPTION_2 ) || ( args.length == 0 ) ) {
             printHelp();
-            System.exit( 0 );
         }
-        else if ( ( args.length < 3 ) || ( args.length > 18 ) ) {
-            errorInCommandLine();
+        if ( ( args.length < 3 ) || ( args.length > 8 ) ) {
+            System.out.println();
+            System.out.println( "[" + PRG_NAME + "] incorrect number of arguments" );
+            System.out.println();
+            printHelp();
         }
-        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 '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 'v':
-                        threshold_ultra_paralogs = Double.parseDouble( arg );
-                        break;
-                    default:
-                        errorInCommandLine();
-                }
+        final List<String> allowed_options = new ArrayList<String>();
+        allowed_options.add( USE_SDIR );
+        final String dissallowed_options = cla.validateAllowedOptionsAsString( allowed_options );
+        if ( dissallowed_options.length() > 0 ) {
+            ForesterUtil.fatalError( PRG_NAME, "unknown option(s): " + dissallowed_options );
+        }
+        final File gene_trees_file = cla.getFile( 0 );
+        final File species_tree_file = cla.getFile( 1 );
+        final File orthology_outtable = cla.getFile( 2 );
+        final File logfile;
+        if ( cla.getNumberOfNames() > 3 ) {
+            logfile = cla.getFile( 3 );
+            if ( logfile.exists() ) {
+                ForesterUtil.fatalError( PRG_NAME, "\"" + logfile + "\" already exists" );
             }
-            catch ( final Exception e ) {
-                errorInCommandLine();
+        }
+        else {
+            logfile = null;
+        }
+        final String outgroup = "";
+        ForesterUtil.fatalErrorIfFileNotReadable( PRG_NAME, gene_trees_file );
+        ForesterUtil.fatalErrorIfFileNotReadable( PRG_NAME, species_tree_file );
+        if ( orthology_outtable.exists() ) {
+            ForesterUtil.fatalError( PRG_NAME, "\"" + orthology_outtable + "\" already exists" );
+        }
+        boolean sdir = false;
+        if ( cla.isOptionSet( USE_SDIR ) ) {
+            sdir = true;
+            if ( logfile != null ) {
+                ForesterUtil.fatalError( PRG_NAME, "logfile output only for GSDIR algorithm" );
             }
         }
-        if ( ( seq_name == "" ) || ( species_tree_file == null ) || ( multiple_trees_file == null )
-                || ( outfile == null ) ) {
-            errorInCommandLine();
-        }
-        if ( ( sort < 0 ) || ( sort > 2 ) ) {
-            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 );
-            System.out.println( "Sort:                                         " + sort );
-            System.out.println( "Threshold orthologs:                          " + t_orthologs );
-            System.out.println( "Threshold orthologs for distance calc.:       " + t_orthologs_dc );
-            if ( output_ultraparalogs ) {
-                System.out.println( "Threshold ultra paralogs:                     " + threshold_ultra_paralogs );
+        long time = 0;
+        System.out.println( "Gene trees                : " + gene_trees_file );
+        System.out.println( "Species tree              : " + species_tree_file );
+        System.out.println( "All vs all orthology table: " + orthology_outtable );
+        if ( !sdir ) {
+            if ( logfile != null ) {
+                System.out.println( "Logfile                   : " + logfile );
             }
+            System.out.println( "Non binary species tree   : allowed (GSDIR algorithm)" );
         }
-        if ( TIME && VERBOSE ) {
-            time = System.currentTimeMillis();
+        else {
+            System.out.println( "Non binary species tree   : disallowed (SDIR algorithm)" );
         }
+        time = System.currentTimeMillis();
+        Phylogeny species_tree = null;
         try {
             final PhylogenyFactory factory = ParserBasedPhylogenyFactory.getInstance();
             species_tree = factory.create( species_tree_file, new PhyloXmlParser() )[ 0 ];
@@ -154,55 +139,157 @@ public class rio {
             System.exit( -1 );
         }
         if ( !species_tree.isRooted() ) {
-            ForesterUtil.printErrorMessage( PRG_NAME, "Species tree is not rooted" );
-            System.exit( -1 );
+            ForesterUtil.fatalError( PRG_NAME, "species tree is not rooted" );
         }
-        if ( !species_tree.isCompletelyBinary() ) {
-            ForesterUtil.printErrorMessage( PRG_NAME, "Species tree is not completely binary" );
-            System.exit( -1 );
+        final int o = PhylogenyMethods.countNumberOfOneDescendantNodes( species_tree );
+        if ( o > 0 ) {
+            ForesterUtil.printWarningMessage( PRG_NAME, "species tree has " + o
+                    + " internal nodes with only one descendent! Going to strip them." );
+            PhylogenyMethods.deleteInternalNodesWithOnlyOneDescendent( species_tree );
+            if ( PhylogenyMethods.countNumberOfOneDescendantNodes( species_tree ) > 0 ) {
+                ForesterUtil.unexpectedFatalError( PRG_NAME, "stripping of one-desc nodes failed" );
+            }
+        }
+        final ALGORITHM algorithm;
+        if ( sdir ) {
+            algorithm = ALGORITHM.SDIR;
+        }
+        else {
+            algorithm = ALGORITHM.GSDIR;
         }
-        rio_instance = new RIO();
-        final StringBuffer output = new StringBuffer();
         try {
-            rio_instance.inferOrthologs( multiple_trees_file, species_tree.copy(), seq_name );
-            output.append( rio_instance.inferredOrthologsToString( seq_name, sort, t_orthologs ) );
-            if ( output_ultraparalogs ) {
-                output.append( "\n\nUltra paralogs:\n" );
-                output.append( rio_instance.inferredUltraParalogsToString( seq_name, threshold_ultra_paralogs ) );
+            final RIO rio = RIO.executeAnalysis( gene_trees_file,
+                                                 species_tree,
+                                                 algorithm,
+                                                 REROOTING.BY_ALGORITHM,
+                                                 outgroup,
+                                                 logfile != null,
+                                                 true );
+            if ( algorithm == ALGORITHM.GSDIR ) {
+                ForesterUtil.programMessage( PRG_NAME, "taxonomy linking based on: " + rio.getGSDIRtaxCompBase() );
+            }
+            tableOutput( orthology_outtable, rio );
+            if ( ( algorithm != ALGORITHM.SDIR ) && ( logfile != null ) ) {
+                writeLogFile( logfile,
+                              rio,
+                              species_tree_file,
+                              gene_trees_file,
+                              orthology_outtable,
+                              PRG_NAME,
+                              PRG_VERSION,
+                              PRG_DATE,
+                              ForesterUtil.getForesterLibraryInformation() );
             }
-            output.append( "\n\nSort priority: " + RIO.getOrder( sort ) );
-            output.append( "\nExt nodes    : " + rio_instance.getExtNodesOfAnalyzedGeneTrees() );
-            output.append( "\nSamples      : " + rio_instance.getNumberOfSamples() + "\n" );
-            out = new PrintWriter( new FileWriter( outfile ), true );
+            final BasicDescriptiveStatistics stats = rio.getDuplicationsStatistics();
+            final java.text.DecimalFormat df = new java.text.DecimalFormat( "0.#" );
+            ForesterUtil.programMessage( PRG_NAME,
+                                         "Mean number of duplications  : " + df.format( stats.arithmeticMean() )
+                                                 + " (sd: " + df.format( stats.sampleStandardDeviation() ) + ")" );
+            if ( stats.getN() > 3 ) {
+                ForesterUtil.programMessage( PRG_NAME, "Median number of duplications: " + df.format( stats.median() ) );
+            }
+            ForesterUtil.programMessage( PRG_NAME, "Minimum duplications         : " + ( int ) stats.getMin() );
+            ForesterUtil.programMessage( PRG_NAME, "Maximum duplications         : " + ( int ) stats.getMax() );
         }
-        catch ( final Exception e ) {
-            ForesterUtil.printErrorMessage( PRG_NAME, e.getLocalizedMessage() );
-            e.printStackTrace();
-            System.exit( -1 );
+        catch ( final RIOException e ) {
+            ForesterUtil.fatalError( PRG_NAME, e.getLocalizedMessage() );
         }
-        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" );
+        catch ( final SDIException e ) {
+            ForesterUtil.fatalError( PRG_NAME, e.getLocalizedMessage() );
+        }
+        catch ( final IOException e ) {
+            ForesterUtil.fatalError( PRG_NAME, e.getLocalizedMessage() );
+        }
+        catch ( final Exception e ) {
+            ForesterUtil.unexpectedFatalError( PRG_NAME, e );
         }
-        ForesterUtil.programMessage( PRG_NAME, "OK." );
+        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( "P= (int)    Sort priority" );
-        System.out.println( "L= (double) Threshold orthologs for output" );
-        System.out.println( " Sort priority (\"P=\"):" );
-        System.out.println( RIO.getOrderHelp().toString() );
+        System.out.println( "Usage" );
+        System.out.println();
+        System.out
+                .println( PRG_NAME
+                        + " [options] <gene trees infile> <species tree infile> <all vs all orthology table outfile> [logfile]" );
+        System.out.println();
+        System.out.println( " Options" );
+        System.out.println( "  -" + USE_SDIR
+                + " : to use SDIR instead of GSDIR (faster, but non-binary species trees are disallowed)" );
         System.out.println();
+        System.out.println( " Formats" );
+        System.out.println( "  The species tree is expected to be in phyloXML format." );
         System.out
-                .println( " Example: \"rio M=gene_trees.xml N=bcl2_NEMVE S=species_tree.xml D=distances P=13 p O=out\"" );
+                .println( "  The gene trees ideally are in phyloXML as well, but can also be in New Hamphshire (Newick)" );
+        System.out.println( "  or Nexus format as long as species information can be extracted from the gene names" );
+        System.out.println( "  (e.g. \"HUMAN\" from \"BCL2_HUMAN\")." );
         System.out.println();
+        System.out.println( " Examples" );
+        System.out.println( "  \"rio gene_trees.nh species.xml outtable.tsv log.txt\"" );
+        System.out.println();
+        System.out.println( " More information: http://code.google.com/p/forester/wiki/RIO" );
+        System.out.println();
+        System.exit( -1 );
+    }
+
+    private static void tableOutput( final File table_outfile, final RIO rio ) throws IOException, RIOException {
+        final IntMatrix m = RIO.calculateOrthologTable( rio.getAnalyzedGeneTrees(), true );
+        writeTable( table_outfile, rio, m );
+    }
+
+    private static void writeLogFile( final File logfile,
+                                      final RIO rio,
+                                      final File species_tree_file,
+                                      final File gene_trees_file,
+                                      final File outtable,
+                                      final String prg_name,
+                                      final String prg_v,
+                                      final String prg_date,
+                                      final String f ) throws IOException {
+        final EasyWriter out = ForesterUtil.createEasyWriter( logfile );
+        out.println( prg_name );
+        out.println( "version : " + prg_v );
+        out.println( "date    : " + prg_date );
+        out.println( "based on: " + f );
+        out.println( "----------------------------------" );
+        out.println( "Gene trees                                      : " + gene_trees_file );
+        out.println( "Species tree                                    : " + species_tree_file );
+        out.println( "All vs all orthology table                      : " + outtable );
+        out.flush();
+        out.println( rio.getLog().toString() );
+        out.close();
+        ForesterUtil.programMessage( PRG_NAME, "wrote log to \"" + logfile + "\"" );
+    }
+
+    private static void writeTable( final File table_outfile, final RIO rio, final IntMatrix m ) throws IOException {
+        final EasyWriter w = ForesterUtil.createEasyWriter( table_outfile );
+        final java.text.DecimalFormat df = new java.text.DecimalFormat( "0.###" );
+        df.setDecimalSeparatorAlwaysShown( false );
+        for( int i = 0; i < m.size(); ++i ) {
+            w.print( "\t" );
+            w.print( m.getLabel( i ) );
+        }
+        w.println();
+        for( int x = 0; x < m.size(); ++x ) {
+            w.print( m.getLabel( x ) );
+            for( int y = 0; y < m.size(); ++y ) {
+                w.print( "\t" );
+                if ( x == y ) {
+                    if ( m.get( x, y ) != rio.getAnalyzedGeneTrees().length ) {
+                        ForesterUtil.unexpectedFatalError( PRG_NAME, "diagonal value is off" );
+                    }
+                    w.print( "-" );
+                }
+                else {
+                    w.print( df.format( ( ( double ) m.get( x, y ) ) / rio.getAnalyzedGeneTrees().length ) );
+                }
+            }
+            w.println();
+        }
+        w.close();
+        ForesterUtil.programMessage( PRG_NAME, "wrote table to \"" + table_outfile + "\"" );
     }
 }