*/
package jalview.analysis;
-import jalview.analysis.ResidueCount.SymbolCounts;
import jalview.datamodel.AlignedCodonFrame;
import jalview.datamodel.AlignmentAnnotation;
import jalview.datamodel.AlignmentI;
import jalview.datamodel.Annotation;
+import jalview.datamodel.HiddenMarkovModel;
+import jalview.datamodel.Profile;
+import jalview.datamodel.ProfileI;
+import jalview.datamodel.Profiles;
+import jalview.datamodel.ProfilesI;
+import jalview.datamodel.ResidueCount;
+import jalview.datamodel.ResidueCount.SymbolCounts;
import jalview.datamodel.SequenceI;
import jalview.ext.android.SparseIntArray;
+import jalview.schemes.ResidueProperties;
import jalview.util.Comparison;
import jalview.util.Format;
import jalview.util.MappingUtils;
import jalview.util.QuickSort;
+import java.awt.Color;
import java.util.Arrays;
import java.util.Hashtable;
import java.util.List;
*/
public class AAFrequency
{
- public static final String MAXCOUNT = "C";
-
- public static final String MAXRESIDUE = "R";
-
- public static final String PID_GAPS = "G";
-
- public static final String PID_NOGAPS = "N";
-
public static final String PROFILE = "P";
- public static final String ENCODED_CHARS = "E";
+ private static final String AMINO = "amino";
+
+ private static final String DNA = "DNA";
/*
* Quick look-up of String value of char 'A' to 'Z'
}
}
- public static final Profile[] calculate(List<SequenceI> list,
- int start, int end)
+ public static final ProfilesI calculate(List<SequenceI> list, int start,
+ int end)
{
return calculate(list, start, end, false);
}
- public static final Profile[] calculate(List<SequenceI> sequences,
+ public static final ProfilesI calculate(List<SequenceI> sequences,
int start, int end, boolean profile)
{
SequenceI[] seqs = new SequenceI[sequences.size()];
for (int i = 0; i < sequences.size(); i++)
{
seqs[i] = sequences.get(i);
- if (seqs[i].getLength() > width)
+ int length = seqs[i].getLength();
+ if (length > width)
{
- width = seqs[i].getLength();
+ width = length;
}
}
- Profile[] reply = new Profile[width];
-
if (end >= width)
{
end = width;
}
- calculate(seqs, start, end, reply, profile);
+ ProfilesI reply = calculate(seqs, width, start, end, profile);
return reply;
}
}
+
/**
* Calculate the consensus symbol(s) for each column in the given range.
*
* @param sequences
+ * @param width
+ * the full width of the alignment
* @param start
+ * start column (inclusive, base zero)
* @param end
- * @param result
- * array in which to store profile per column
+ * end column (exclusive)
* @param saveFullProfile
* if true, store all symbol counts
*/
- public static final void calculate(final SequenceI[] sequences,
- int start, int end, Profile[] result, boolean saveFullProfile)
+ public static final ProfilesI calculate(final SequenceI[] sequences,
+ int width, int start, int end, boolean saveFullProfile)
{
// long now = System.currentTimeMillis();
int seqCount = sequences.length;
int nucleotideCount = 0;
int peptideCount = 0;
+ ProfileI[] result = new ProfileI[width];
+
for (int column = start; column < end; column++)
{
/*
else
{
/*
- * here we count a gap if the sequence doesn't
- * reach this column (is that correct?)
+ * count a gap if the sequence doesn't reach this column
*/
residueCounts.addGap();
}
int maxCount = residueCounts.getModalCount();
String maxResidue = residueCounts.getResiduesForCount(maxCount);
int gapCount = residueCounts.getGapCount();
- Profile profile = new Profile(seqCount, gapCount, maxCount,
+ ProfileI profile = new Profile(seqCount, gapCount, maxCount,
maxResidue);
if (saveFullProfile)
result[column] = profile;
}
+ return new Profiles(result);
// long elapsed = System.currentTimeMillis() - now;
// System.out.println(elapsed);
}
/**
* Derive the consensus annotations to be added to the alignment for display.
* This does not recompute the raw data, but may be called on a change in
- * display options, such as 'show logo', which may in turn result in a change
- * in the derived values.
+ * display options, such as 'ignore gaps', which may in turn result in a
+ * change in the derived values.
*
* @param consensus
* the annotation row to add annotations to
* @param profiles
* the source consensus data
- * @param iStart
- * start column
- * @param width
- * end column
+ * @param startCol
+ * start column (inclusive)
+ * @param endCol
+ * end column (exclusive)
* @param ignoreGaps
* if true, normalise residue percentages ignoring gaps
* @param showSequenceLogo
* number of sequences
*/
public static void completeConsensus(AlignmentAnnotation consensus,
- Profile[] profiles, int iStart, int width, boolean ignoreGaps,
+ ProfilesI profiles, int startCol, int endCol, boolean ignoreGaps,
boolean showSequenceLogo, long nseq)
{
// long now = System.currentTimeMillis();
if (consensus == null || consensus.annotations == null
- || consensus.annotations.length < width)
+ || consensus.annotations.length < endCol)
{
/*
* called with a bad alignment annotation row
return;
}
- final int dp = getPercentageDp(nseq);
-
- for (int i = iStart; i < width; i++)
+ for (int i = startCol; i < endCol; i++)
{
- Profile profile;
- if (i >= profiles.length || ((profile = profiles[i]) == null))
+ ProfileI profile = profiles.get(i);
+ if (profile == null)
{
/*
* happens if sequences calculated over were
* shorter than alignment width
*/
consensus.annotations[i] = null;
- continue;
+ return;
}
+ final int dp = getPercentageDp(nseq);
+
float value = profile.getPercentageIdentity(ignoreGaps);
String description = getTooltip(profile, value, showSequenceLogo,
ignoreGaps, dp);
- consensus.annotations[i] = new Annotation(profile.getModalResidue(),
- description, ' ', value);
+ String modalResidue = profile.getModalResidue();
+ if ("".equals(modalResidue))
+ {
+ modalResidue = "-";
+ }
+ else if (modalResidue.length() > 1)
+ {
+ modalResidue = "+";
+ }
+ consensus.annotations[i] = new Annotation(modalResidue, description,
+ ' ', value);
}
// long elapsed = System.currentTimeMillis() - now;
// System.out.println(-elapsed);
}
/**
+ * Derive the gap count annotation row.
+ *
+ * @param gaprow
+ * the annotation row to add annotations to
+ * @param profiles
+ * the source consensus data
+ * @param startCol
+ * start column (inclusive)
+ * @param endCol
+ * end column (exclusive)
+ */
+ public static void completeGapAnnot(AlignmentAnnotation gaprow,
+ ProfilesI profiles, int startCol, int endCol, long nseq)
+ {
+ if (gaprow == null || gaprow.annotations == null
+ || gaprow.annotations.length < endCol)
+ {
+ /*
+ * called with a bad alignment annotation row
+ * wait for it to be initialised properly
+ */
+ return;
+ }
+ // always set ranges again
+ gaprow.graphMax = nseq;
+ gaprow.graphMin = 0;
+ double scale = 0.8/nseq;
+ for (int i = startCol; i < endCol; i++)
+ {
+ ProfileI profile = profiles.get(i);
+ if (profile == null)
+ {
+ /*
+ * happens if sequences calculated over were
+ * shorter than alignment width
+ */
+ gaprow.annotations[i] = null;
+ return;
+ }
+
+ final int gapped = profile.getNonGapped();
+
+ String description = "" + gapped;
+
+ gaprow.annotations[i] = new Annotation("", description,
+ '\0', gapped, jalview.util.ColorUtils.bleachColour(
+ Color.DARK_GRAY, (float) scale * gapped));
+ }
+ }
+
+ /**
* Returns a tooltip showing either
* <ul>
* <li>the full profile (percentages of all residues present), if
* the number of decimal places to format percentages to
* @return
*/
- static String getTooltip(Profile profile, float pid,
+ static String getTooltip(ProfileI profile, float pid,
boolean showSequenceLogo, boolean ignoreGaps, int dp)
{
ResidueCount counts = profile.getCounts();
String maxRes = profile.getModalResidue();
if (maxRes.length() > 1)
{
- sb.append("[").append(maxRes).append("] ");
- maxRes = "+";
+ sb.append("[").append(maxRes).append("]");
}
else
{
- sb.append(maxRes).append(" ");
+ sb.append(maxRes);
+ }
+ if (maxRes.length() > 0)
+ {
+ sb.append(" ");
+ Format.appendPercentage(sb, pid, dp);
+ sb.append("%");
}
- Format.appendPercentage(sb, pid, dp);
- sb.append("%");
description = sb.toString();
}
return description;
* calculations
* @return
*/
- public static int[] extractProfile(Profile profile,
- boolean ignoreGaps)
+ public static int[] extractProfile(ProfileI profile, boolean ignoreGaps)
{
int[] rtnval = new int[64];
ResidueCount counts = profile.getCounts();
return result;
}
+
/**
* Extract a sorted extract of cDNA codon profile data. The returned array
* contains
for (int col = 0; col < cols; col++)
{
// todo would prefer a Java bean for consensus data
- Hashtable<String, int[]> columnHash = new Hashtable<String, int[]>();
+ Hashtable<String, int[]> columnHash = new Hashtable<>();
// #seqs, #ungapped seqs, counts indexed by (codon encoded + 1)
int[] codonCounts = new int[66];
codonCounts[0] = alignment.getSequences().size();
}
return scale;
}
+
+ /**
+ * produces a HMM profile for a column in an alignment
+ *
+ * @param aa
+ * Alignment annotation for which the profile is being calculated
+ * @param column
+ * column in the alignment the profile is being made for
+ * @param removeBelowBackground
+ * boolean, indicating whether to ignore residues with probabilities
+ * less than their background frequencies
+ * @return
+ */
+ public static int[] getHMMProfileFor(AlignmentAnnotation aa, int column,
+ boolean removeBelowBackground)
+ {
+
+ HiddenMarkovModel hmm;
+ hmm = aa.getHMM();
+ if (hmm != null)
+ {
+ String alph = hmm.getAlphabetType();
+ int size = hmm.getNumberOfSymbols();
+ char symbols[] = new char[size];
+ int values[] = new int[size];
+ List<Character> charList = hmm.getSymbols();
+ Integer totalCount = 0;
+
+ for (int i = 0; i < size; i++)
+ {
+ char symbol = charList.get(i);
+ symbols[i] = symbol;
+ Double value;
+
+ value = hmm.getMatchEmissionProbability(column, symbol);
+ double freq;
+
+ if (AMINO.equals(alph) && removeBelowBackground)
+ {
+ freq = ResidueProperties.aminoBackgroundFrequencies.get(symbol);
+ if (value < freq)
+ {
+ value = 0d;
+ }
+ }
+ else if (DNA.equals(alph) && removeBelowBackground)
+ {
+ freq = ResidueProperties.nucleotideBackgroundFrequencies
+ .get(symbol);
+ if (value < freq)
+ {
+ value = 0d;
+ }
+ }
+ value = value * 10000;
+ values[i] = value.intValue();
+ totalCount += value.intValue();
+ }
+
+ QuickSort.sort(values, symbols);
+
+ int[] profile = new int[3 + size * 2];
+
+ profile[0] = AlignmentAnnotation.SEQUENCE_PROFILE;
+ profile[1] = size;
+ profile[2] = totalCount / 100;
+
+ if (totalCount != 0)
+ {
+ int arrayPos = 3;
+ for (int k = size - 1; k >= 0; k--)
+ {
+ Double percentage;
+ Integer value = values[k];
+ percentage = (value.doubleValue() / totalCount.doubleValue())
+ * 100d;
+ profile[arrayPos] = symbols[k];
+ profile[arrayPos + 1] = percentage.intValue();
+ arrayPos += 2;
+ }
+ }
+ return profile;
+ }
+ return null;
+ }
}
git://source.jalview.org / jalview.git / blobdiff