From ec83a4b7654d0f59346b3f4170cce47034ca8ec9 Mon Sep 17 00:00:00 2001 From: depristo Date: Thu, 11 Nov 2010 23:52:49 +0000 Subject: [PATCH] Initial commit, without any tool changes, of a new infrastructure for determining tranches. This new version walker up from the lowest quality snps and determines Ti/Tv. This is marginally more stable than moving in the other direction when there are few novel variants (exomes). Can make a substantial difference in the size of the call set (10-20%). I'll hook it into the main system now. Includes an new class Tranche, isolated read/writing utilities that are now testing in TestVariantRecalibrator, which should be moved to UnitTest as soon as I can figure out how to do this on my mac. git-svn-id: file:///humgen/gsa-scr1/gsa-engineering/svn_contents/trunk@4654 348d0f76-0448-11de-a6fe-93d51630548a --- .../TestVariantRecalibrator.java | 143 + .../walkers/variantrecalibration/Tranche.java | 120 + .../variantrecalibration/VariantDatum.java | 6 +- .../VariantGaussianMixtureModel.java | 87 +- java/test/data/tranches.4.txt | 5 + java/test/data/tranches.6.txt | 5 + java/test/data/tranches.raw.dat | 18180 ++++++++++++++++ 7 files changed, 18544 insertions(+), 2 deletions(-) create mode 100644 java/src/org/broadinstitute/sting/gatk/walkers/variantrecalibration/TestVariantRecalibrator.java create mode 100755 java/src/org/broadinstitute/sting/gatk/walkers/variantrecalibration/Tranche.java create mode 100644 java/test/data/tranches.4.txt create mode 100644 java/test/data/tranches.6.txt create mode 100644 java/test/data/tranches.raw.dat diff --git a/java/src/org/broadinstitute/sting/gatk/walkers/variantrecalibration/TestVariantRecalibrator.java b/java/src/org/broadinstitute/sting/gatk/walkers/variantrecalibration/TestVariantRecalibrator.java new file mode 100644 index 000000000..d481840dc --- /dev/null +++ b/java/src/org/broadinstitute/sting/gatk/walkers/variantrecalibration/TestVariantRecalibrator.java @@ -0,0 +1,143 @@ +/* + * Copyright (c) 2010 The Broad Institute + * + * Permission is hereby granted, free of charge, to any person + * obtaining a copy of this software and associated documentation + * files (the "Software"), to deal in the Software without + * restriction, including without limitation the rights to use, + * copy, modify, merge, publish, distribute, sublicense, and/or sell + * copies of the Software, and to permit persons to whom the + * Software is furnished to do so, subject to the following + * conditions: + * + * The above copyright notice and this permission notice shall be + * included in all copies or substantial portions of the Software. + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, + * EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES + * OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND + * NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT + * HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, + * WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING + * FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR + * THE USE OR OTHER DEALINGS IN THE SOFTWARE. + */ + +package org.broadinstitute.sting.gatk.walkers.variantrecalibration; + +import org.broad.tribble.dbsnp.DbSNPFeature; +import org.broad.tribble.util.variantcontext.VariantContext; +import org.broad.tribble.vcf.*; +import org.broadinstitute.sting.commandline.*; +import org.broadinstitute.sting.gatk.contexts.AlignmentContext; +import org.broadinstitute.sting.gatk.contexts.ReferenceContext; +import org.broadinstitute.sting.gatk.contexts.variantcontext.VariantContextUtils; +import org.broadinstitute.sting.gatk.datasources.simpleDataSources.ReferenceOrderedDataSource; +import org.broadinstitute.sting.gatk.refdata.RefMetaDataTracker; +import org.broadinstitute.sting.gatk.refdata.utils.helpers.DbSNPHelper; +import org.broadinstitute.sting.gatk.walkers.RodWalker; +import org.broadinstitute.sting.utils.*; +import org.broadinstitute.sting.utils.text.XReadLines; +import org.broadinstitute.sting.utils.collections.ExpandingArrayList; +import org.broadinstitute.sting.utils.collections.NestedHashMap; +import org.broadinstitute.sting.utils.exceptions.UserException; +import org.broadinstitute.sting.utils.exceptions.StingException; +import org.broadinstitute.sting.utils.vcf.VCFUtils; + +import java.io.File; +import java.io.FileNotFoundException; +import java.io.PrintStream; +import java.util.*; + +/** + * Applies calibrated variant cluster parameters to variant calls to produce an accurate and informative variant quality score + * + * @author rpoplin + * @since Mar 17, 2010 + * + * @help.summary Applies calibrated variant cluster parameters to variant calls to produce an accurate and informative variant quality score + */ + +public class TestVariantRecalibrator extends RodWalker, ExpandingArrayList> { + + ///////////////////////////// + // Inputs + ///////////////////////////// + @Input(fullName="dataFile", shortName="dataFile", doc="The input cluster file generated by GenerateVariantClusters", required=true) + private File dataFile; + + @Argument(fullName="target_titv", shortName="titv", doc="The expected novel Ti/Tv ratio to use when calculating FDR tranches and for display on optimization curve output figures. (~~2.07 for whole genome experiments)", required=true) + private double TARGET_TITV = 2.07; + @Argument(fullName="FDRtranche", shortName="tranche", doc="The levels of novel false discovery rate (FDR, implied by ti/tv) at which to slice the data. (in percent, that is 1.0 for 1 percent)", required=false) + private double[] FDR_TRANCHES = null; + + @Argument(fullName="maxElements", shortName="maxElements", doc="The expected novel Ti/Tv ratio to use when calculating FDR tranches and for display on optimization curve output figures. (~~2.07 for whole genome experiments)", required=false) + private double maxElements = -1; + + @Argument(fullName="sixElementFile", shortName="sixElementFile", doc="", required=false) + private File sixElementFile = null; + + @Argument(fullName="fourElementFile", shortName="fourElementFile", doc="", required=false) + private File fourElementFile = null; + + public void initialize() { + List vd = new ArrayList(); + try { + for ( String line : new XReadLines(dataFile, true) ) { + String[] parts = line.split(" "); + if ( ! parts[0].equals("QUAL") ) { + VariantDatum datum = new VariantDatum(); + datum.qual = Double.valueOf(parts[0]); + datum.isTransition = parts[1].equals("1"); + datum.isKnown = parts[2].equals("1"); + vd.add(datum); + + if ( maxElements != -1 && vd.size() > maxElements ) + break; + } + } + } catch (FileNotFoundException e) { + throw new StingException("foo", e); + } + + List tranches = VariantGaussianMixtureModel.findTranches(vd.toArray(new VariantDatum[0]), FDR_TRANCHES, TARGET_TITV); + System.out.printf(Tranche.tranchesString(tranches)); + + if ( sixElementFile != null ) { + List six = Tranche.readTraches(sixElementFile); + System.out.printf("six%n"); + System.out.printf(Tranche.tranchesString(six)); + } + + if ( fourElementFile != null ) { + List four = Tranche.readTraches(fourElementFile); + System.out.printf("four%n"); + System.out.printf(Tranche.tranchesString(four)); + } + + System.exit(0); + } + + public ExpandingArrayList map( RefMetaDataTracker tracker, ReferenceContext ref, AlignmentContext context ) { + return null; + } + + //--------------------------------------------------------------------------------------------------------------- + // + // reduce + // + //--------------------------------------------------------------------------------------------------------------- + + public ExpandingArrayList reduceInit() { + return new ExpandingArrayList(); + } + + public ExpandingArrayList reduce( final ExpandingArrayList mapValue, final ExpandingArrayList reduceSum ) { + reduceSum.addAll( mapValue ); + return reduceSum; + } + + public void onTraversalDone( ExpandingArrayList reduceSum ) { + + } +} \ No newline at end of file diff --git a/java/src/org/broadinstitute/sting/gatk/walkers/variantrecalibration/Tranche.java b/java/src/org/broadinstitute/sting/gatk/walkers/variantrecalibration/Tranche.java new file mode 100755 index 000000000..0a1dd7976 --- /dev/null +++ b/java/src/org/broadinstitute/sting/gatk/walkers/variantrecalibration/Tranche.java @@ -0,0 +1,120 @@ +/* + * Copyright (c) 2010 The Broad Institute + * + * Permission is hereby granted, free of charge, to any person + * obtaining a copy of this software and associated documentation + * files (the "Software"), to deal in the Software without + * restriction, including without limitation the rights to use, + * copy, modify, merge, publish, distribute, sublicense, and/or sell + * copies of the Software, and to permit persons to whom the + * Software is furnished to do so, subject to the following + * conditions: + * + * The above copyright notice and this permission notice shall be + * included in all copies or substantial portions of the Software. + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, + * EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES + * OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND + * NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT + * HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, + * WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING + * FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR + * THE USE OR OTHER DEALINGS IN THE SOFTWARE. + */ + +package org.broadinstitute.sting.gatk.walkers.variantrecalibration; + +import org.broad.tribble.util.variantcontext.VariantContext; +import org.broad.tribble.vcf.*; +import org.broadinstitute.sting.commandline.*; +import org.broadinstitute.sting.gatk.contexts.AlignmentContext; +import org.broadinstitute.sting.gatk.contexts.ReferenceContext; +import org.broadinstitute.sting.gatk.refdata.RefMetaDataTracker; +import org.broadinstitute.sting.gatk.refdata.utils.helpers.DbSNPHelper; +import org.broadinstitute.sting.gatk.walkers.RodWalker; +import org.broadinstitute.sting.utils.*; +import org.broadinstitute.sting.utils.collections.ExpandingArrayList; +import org.broadinstitute.sting.utils.exceptions.UserException; +import org.broadinstitute.sting.utils.vcf.VCFUtils; +import org.broadinstitute.sting.utils.text.XReadLines; + +import java.io.*; +import java.util.*; + +/** + */ + +public class Tranche { + public double fdr, pCut, knownTiTv, novelTiTv; + public int numKnown,numNovel; + + public Tranche(double fdr, double pCut, double novelTiTv, int numNovel) { + this(fdr,pCut,-1, -1, numNovel, novelTiTv); + } + + public Tranche(double fdr, double pCut, int numKnown, double knownTiTv, int numNovel, double novelTiTv) { + this.fdr = fdr; + this.pCut = pCut; + this.novelTiTv = novelTiTv; + this.numNovel = numNovel; + this.knownTiTv = knownTiTv; + this.numKnown = numKnown; + } + + public String toString() { + return String.format("[Tranche cut = %.3f with %d novels @ %.2f]", pCut, numNovel, novelTiTv); + } + + public static String tranchesString(List tranches) { + ByteArrayOutputStream bytes = new ByteArrayOutputStream(); + PrintStream stream = new PrintStream(bytes); + + stream.println("FDRtranche,numKnown,numNovel,knownTiTv,novelTiTv,pCut,filterName"); + + Tranche prev = null; + for ( Tranche t : tranches ) { + stream.printf("%.2f,%d,%d,%.4f,%.4f,%.4f,FDRtranche%.2fto%.2f%n", + t.fdr,t.numKnown,t.numNovel,t.knownTiTv,t.novelTiTv, t.pCut, + (prev == null ? 0.0 : prev.fdr), t.fdr); + prev = t; + } + + return bytes.toString(); + } + + private static double getDouble(Map bindings, String key) { + return bindings.containsKey(key) ? Double.valueOf(bindings.get(key)) : -1.0; + } + + private static int getInteger(Map bindings, String key) { + return bindings.containsKey(key) ? Integer.valueOf(bindings.get(key)) : -1; + } + + public static List readTraches(File f) { + String[] header = null; + List tranches = new ArrayList(); + + try { + for( final String line : new XReadLines(f) ) { + final String[] vals = line.split(","); + if( header == null ) { + header = vals; + } else { + Map bindings = new HashMap(); + for ( int i = 0; i < vals.length; i++ ) bindings.put(header[i], vals[i]); + tranches.add(new Tranche(getDouble(bindings,"FDRtranche"), + getDouble(bindings,"pCut"), + getInteger(bindings,"numKnown"), + getDouble(bindings,"knownTiTv"), + getInteger(bindings,"numNovel"), + getDouble(bindings,"novelTiTv"))); + } + } + + return tranches; + } catch( FileNotFoundException e ) { + throw new UserException.CouldNotCreateOutputFile(f, e); + } + } +} \ No newline at end of file diff --git a/java/src/org/broadinstitute/sting/gatk/walkers/variantrecalibration/VariantDatum.java b/java/src/org/broadinstitute/sting/gatk/walkers/variantrecalibration/VariantDatum.java index b12aec37b..d8f283093 100755 --- a/java/src/org/broadinstitute/sting/gatk/walkers/variantrecalibration/VariantDatum.java +++ b/java/src/org/broadinstitute/sting/gatk/walkers/variantrecalibration/VariantDatum.java @@ -31,10 +31,14 @@ package org.broadinstitute.sting.gatk.walkers.variantrecalibration; * Date: Feb 24, 2010 */ -public class VariantDatum { +public class VariantDatum implements Comparable { public double[] annotations; public boolean isTransition; public boolean isKnown; public double qual; public double weight; + + public int compareTo(VariantDatum other) { + return Double.compare(this.qual, other.qual); + } } diff --git a/java/src/org/broadinstitute/sting/gatk/walkers/variantrecalibration/VariantGaussianMixtureModel.java b/java/src/org/broadinstitute/sting/gatk/walkers/variantrecalibration/VariantGaussianMixtureModel.java index 170a44340..e80aae9d3 100755 --- a/java/src/org/broadinstitute/sting/gatk/walkers/variantrecalibration/VariantGaussianMixtureModel.java +++ b/java/src/org/broadinstitute/sting/gatk/walkers/variantrecalibration/VariantGaussianMixtureModel.java @@ -40,7 +40,7 @@ import Jama.*; import java.io.File; import java.io.FileNotFoundException; import java.io.PrintStream; -import java.util.Random; +import java.util.*; import java.util.regex.Pattern; /** @@ -462,6 +462,91 @@ public final class VariantGaussianMixtureModel extends VariantOptimizationModel return sum; } + // --------------------------------------------------------------------------------------------------------- + // + // Code to determine FDR tranches for VariantDatum[] + // + // --------------------------------------------------------------------------------------------------------- + + public final static List findTranches( final VariantDatum[] data, final double[] FDRtranches, double targetTiTv ) { + List tranchesData = sortVariantsbyQual(data); + double[] runningTiTv = calculateRunningTiTv(tranchesData); + List tranches = new ArrayList(); + for ( double fdr : FDRtranches ) { + Tranche t = findTranche(tranchesData, runningTiTv, fdr, targetTiTv); + + if ( t == null ) { + if ( tranches.size() == 0 ) + throw new UserException("Couldn't find any tranche containing variants with a TiTv > target of " + targetTiTv); + break; + } + + tranches.add(t); + } + + return tranches; + } + + private final static List sortVariantsbyQual(final VariantDatum[] data) { + List sorted = new ArrayList(Arrays.asList(data)); + Collections.sort(sorted); + return sorted; + } + + private static double[] calculateRunningTiTv(List data) { + int ti = 0, tv = 0; + double[] run = new double[data.size()]; + + for ( int i = data.size() - 1; i >= 0; i-- ) { + VariantDatum datum = data.get(i); + if ( ! datum.isKnown ) { + if ( datum.isTransition ) { ti++; } else { tv++; } + run[i] = ti / Math.max(1.0 * tv, 1.0); + } + } + + return run; + } + + public final static Tranche findTranche( final List data, double[] runningTiTv, final double desiredFDR, double targetTiTv ) { + final double titvThreshold = fdrToTiTv(desiredFDR, targetTiTv); // compute the desired TiTv + + for ( int i = 0; i < runningTiTv.length; i++ ) { + if ( runningTiTv[i] >= titvThreshold ) { + // we've found the largest group of variants with Ti/Tv >= our target titv + return trancheOfVariants(data, i, desiredFDR); + } + } + + // we get here when there's no subset of variants with Ti/Tv >= threshold, in which case we should return null + return null; + } + + public final static Tranche trancheOfVariants( final List data, int minI, double fdr ) { + int numKnown = 0, numNovel = 0, knownTi = 0, knownTv = 0, novelTi = 0, novelTv = 0; + + for ( int i = minI; i < data.size(); i++ ) { + VariantDatum datum = data.get(i); + if ( datum.isKnown ) { + numKnown++; + if ( datum.isTransition ) { knownTi++; } else { knownTv++; } + } else { + numNovel++; + if ( datum.isTransition ) { novelTi++; } else { novelTv++; } + + } + } + + double knownTiTv = knownTi / Math.max(1.0 * knownTv, 1.0); + double novelTiTv = novelTi / Math.max(1.0 * novelTv, 1.0); + + return new Tranche(fdr, data.get(minI).qual, numKnown, knownTiTv, numNovel, novelTiTv); + } + + public final static double fdrToTiTv(double desiredFDR, double targetTiTv) { + return (1.0 - desiredFDR / 100.0) * (targetTiTv - 0.5) + 0.5; + } + public final void outputOptimizationCurve( final VariantDatum[] data, final PrintStream outputReportDatFile, final PrintStream tranchesOutputFile, final int desiredNumVariants, final Double[] FDRtranches, final double MAX_QUAL ) { final int numVariants = data.length; diff --git a/java/test/data/tranches.4.txt b/java/test/data/tranches.4.txt new file mode 100644 index 000000000..a6ff1bd4a --- /dev/null +++ b/java/test/data/tranches.4.txt @@ -0,0 +1,5 @@ +FDRtranche,novelTITV,pCut,numNovel,filterName +0.10,2.8000,1.1800,893,FDRtranche0.00to0.10 +1.00,2.7782,1.0600,903,FDRtranche0.10to1.00 +10.00,2.5714,0.3800,975,FDRtranche1.00to10.00 +100.00,1.6091,0.0000,1602,FDRtranche10.00to100.00 diff --git a/java/test/data/tranches.6.txt b/java/test/data/tranches.6.txt new file mode 100644 index 000000000..42d36506f --- /dev/null +++ b/java/test/data/tranches.6.txt @@ -0,0 +1,5 @@ +FDRtranche,numKnown,numNovel,knownTiTv,novelTiTv,pCut,filterName +0.10,15791,893,3.3086,2.8000,1.1800,FDRtranche0.00to0.10 +1.00,15823,903,3.3044,2.7782,1.0600,FDRtranche0.10to1.00 +10.00,16035,975,3.2932,2.5714,0.3800,FDRtranche1.00to10.00 +100.00,16578,1602,3.2291,1.6091,0.0000,FDRtranche10.00to100.00 diff --git a/java/test/data/tranches.raw.dat b/java/test/data/tranches.raw.dat new file mode 100644 index 000000000..f03c9142f --- /dev/null +++ b/java/test/data/tranches.raw.dat @@ -0,0 +1,18180 @@ +27.18 1 1 +38.05 1 1 +95.21 0 0 +2318.43 1 1 +3291.07 1 1 +10982.18 1 1 +93.97999999999999 0 1 +136.49 1 1 +357.08 1 1 +1040.28 1 1 +10.36 1 1 +144.53 1 1 +174.42000000000002 1 1 +6277.560000000001 1 1 +3.84 1 1 +282.35 1 1 +10.969999999999999 0 1 +28.0 1 1 +25.77 0 0 +0.0 1 0 +144.87 1 1 +481.99 1 1 +408.35 0 1 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