* The Jalview Authors are detailed in the 'AUTHORS' file.
-->
<head>
-<title>Amino Acid Properties</title>
+<style>
+body {
+ font-size: 100%;
+}
+table {
+ border: solid;
+ border-collapse: separate;
+}
+th, td {
+ border-style:none;
+ font-family: "Courier New", Courier, mono;
+ font-size: large;
+}
+</style><title>Amino Acid Properties</title>
</head>
<body>
<div align="center">
<h1>Amino Acid Properties</h1>
<img src="properties.gif"> <br>
- <table width="295" border="1" cellspacing="0" cellpadding="0">
- <tr>
- <td width="291"><pre>
- <font size="4" face="Courier New, Courier, mono"><strong>ILVCAGMFYWHKREQDNSTPBZX-</strong>
-XXXXXXXXXXX·······X···XX Hydrophobic
-········XXXXXXXXXX·XXXXX Polar
-··XXXX·········XXXXX··XX Small
-···················X··XX Proline
-····XX···········X····XX Tiny
-XXX···················XX Aliphatic
-·······XXXX···········XX Aromatic
-··········XXX·········XX Positive
-·············X·X······XX Negative
-··········XXXX·X······XX Charged</font>
- </pre></td>
- </tr>
+ <table>
+ <tr><th>ILVCA</th><th>GMFYW</th><th>HKREQ</th><th>DNSTP</th><th>BZX-</th><th></th></tr>
+ <tr><td>XXXXX</td><td>XXXXX</td><td>XX···</td><td>···X·</td><td>··XX</td><td>Hydrophobic</td></tr>
+<tr><td>·····</td><td>···XX</td><td>XXXXX</td><td>XXXX·</td><td>XXXX</td><td>Polar</td></tr>
+<tr><td>··XXX</td><td>X····</td><td>·····</td><td>XXXXX</td><td>··XX</td><td>Small</td></tr>
+<tr><td>·····</td><td>·····</td><td>·····</td><td>····X</td><td>··XX</td><td>Proline</td></tr>
+<tr><td>····X</td><td>X····</td><td>·····</td><td>··X··</td><td>··XX</td><td>Tiny</td></tr>
+<tr><td>XXX··</td><td>·····</td><td>·····</td><td>·····</td><td>··XX</td><td>Aliphatic</td></tr>
+<tr><td>·····</td><td>··XXX</td><td>X····</td><td>·····</td><td>··XX</td><td>Aromatic</td></tr>
+<tr><td>·····</td><td>·····</td><td>XXX··</td><td>·····</td><td>··XX</td><td>Positive</td></tr>
+<tr><td>·····</td><td>·····</td><td>···X·</td><td>X····</td><td>··XX</td><td>Negative</td></tr>
+<tr><td>·····</td><td>·····</td><td>XXXX·</td><td>X····</td><td>··XX</td><td>Charged</td></tr>
</table>
+ </font>
</div>
<p>
<br> From Livingstone, C. D. and Barton, G. J. (1993), <br>
*/
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.Profile;
+import jalview.datamodel.ProfileI;
+import jalview.datamodel.ResidueCount;
import jalview.datamodel.SequenceI;
+import jalview.datamodel.ResidueCount.SymbolCounts;
import jalview.ext.android.SparseIntArray;
import jalview.util.Comparison;
import jalview.util.Format;
}
}
- public static final Profile[] calculate(List<SequenceI> list,
+ public static final ProfileI[] 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 ProfileI[] calculate(List<SequenceI> sequences,
int start, int end, boolean profile)
{
SequenceI[] seqs = new SequenceI[sequences.size()];
}
}
- Profile[] reply = new Profile[width];
+ ProfileI[] reply = new ProfileI[width];
if (end >= width)
{
* if true, store all symbol counts
*/
public static final void calculate(final SequenceI[] sequences,
- int start, int end, Profile[] result, boolean saveFullProfile)
+ int start, int end, ProfileI[] result, boolean saveFullProfile)
{
// long now = System.currentTimeMillis();
int seqCount = sequences.length;
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)
* number of sequences
*/
public static void completeConsensus(AlignmentAnnotation consensus,
- Profile[] profiles, int iStart, int width, boolean ignoreGaps,
+ ProfileI[] profiles, int iStart, int width, boolean ignoreGaps,
boolean showSequenceLogo, long nseq)
{
// long now = System.currentTimeMillis();
for (int i = iStart; i < width; i++)
{
- Profile profile;
+ ProfileI profile;
if (i >= profiles.length || ((profile = profiles[i]) == null))
{
/*
* 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();
* calculations
* @return
*/
- public static int[] extractProfile(Profile profile,
+ public static int[] extractProfile(ProfileI profile,
boolean ignoreGaps)
{
int[] rtnval = new int[64];
import jalview.datamodel.AlignmentAnnotation;
import jalview.datamodel.Annotation;
+import jalview.datamodel.ResidueCount;
+import jalview.datamodel.ResidueCount.SymbolCounts;
import jalview.datamodel.Sequence;
import jalview.datamodel.SequenceI;
-import jalview.ext.android.SparseIntArray;
import jalview.schemes.ResidueProperties;
+import jalview.util.Comparison;
import java.awt.Color;
import java.util.List;
import java.util.Map;
+import java.util.Map.Entry;
import java.util.TreeMap;
import java.util.Vector;
/**
* Calculates conservation values for a given set of sequences
- *
- * @author $author$
- * @version $Revision$
*/
public class Conservation
{
+ /*
+ * need to have a minimum of 3% of sequences with a residue
+ * for it to be included in the conservation calculation
+ */
+ private static final int THRESHOLD_PERCENT = 3;
+
+ private static final int TOUPPERCASE = 'a' - 'A';
+
SequenceI[] sequences;
int start;
boolean seqNumsChanged = false; // updated after any change via calcSeqNum;
+ /*
+ * a map per column with {property, conservation} where conservation value is
+ * 1 (property is conserved), 0 (absence of property is conserved) or -1
+ * (property is not conserved i.e. column has residues with and without it)
+ */
Map<String, Integer>[] total;
boolean canonicaliseAa = true; // if true then conservation calculation will
private Sequence consSequence;
+ /*
+ * percentage of residues in a column to qualify for counting conservation
+ */
private int threshold;
private String name = "";
private String[] consSymbs;
/**
- * Creates a new Conservation object.
+ * Constructor using default threshold of 3%
*
* @param name
* Name of conservation
- * @param threshold
- * to count the residues in residueHash(). commonly used value is 3
* @param sequences
* sequences to be used in calculation
* @param start
* @param end
* end residue position
*/
+ public Conservation(String name, List<SequenceI> sequences, int start,
+ int end)
+ {
+ this(name, THRESHOLD_PERCENT, sequences, start, end);
+ }
+
+ /**
+ * Constructor
+ *
+ * @param name
+ * Name of conservation
+ * @param threshold
+ * percentage of sequences at or below which property conservation is
+ * ignored
+ * @param sequences
+ * sequences to be used in calculation
+ * @param start
+ * start column position
+ * @param end
+ * end column position
+ */
public Conservation(String name, int threshold,
List<SequenceI> sequences, int start, int end)
{
*/
public void calculate()
{
- int jSize = sequences.length;
- // int[] values; // Replaces residueHash
- SparseIntArray values = new SparseIntArray();
+ int height = sequences.length;
total = new Map[maxLength];
- for (int i = start; i <= end; i++)
+ for (int column = start; column <= end; column++)
+ {
+ ResidueCount values = countResidues(column);
+
+ /*
+ * percentage count at or below which we ignore residues
+ */
+ int thresh = (threshold * height) / 100;
+
+ /*
+ * check observed residues in column and record whether each
+ * physico-chemical property is conserved (+1), absence conserved (0),
+ * or not conserved (-1)
+ * Using TreeMap means properties are displayed in alphabetical order
+ */
+ Map<String, Integer> resultHash = new TreeMap<String, Integer>();
+ SymbolCounts symbolCounts = values.getSymbolCounts();
+ char[] symbols = symbolCounts.symbols;
+ int[] counts = symbolCounts.values;
+ for (int j = 0; j < symbols.length; j++)
+ {
+ char c = symbols[j];
+ if (counts[j] > thresh)
+ {
+ recordConservation(resultHash, String.valueOf(c));
+ }
+ }
+ if (values.getGapCount() > thresh)
+ {
+ recordConservation(resultHash, "-");
+ }
+
+ if (total.length > 0)
+ {
+ total[column - start] = resultHash;
+ }
+ }
+ }
+
+ /**
+ * Updates the conservation results for an observed residue
+ *
+ * @param resultMap
+ * a map of {property, conservation} where conservation value is +1
+ * (all residues have the property), 0 (no residue has the property)
+ * or -1 (some do, some don't)
+ * @param res
+ */
+ protected static void recordConservation(Map<String, Integer> resultMap,
+ String res)
+ {
+ res = res.toUpperCase();
+ for (Entry<String, Map<String, Integer>> property : ResidueProperties.propHash
+ .entrySet())
{
- // values = new int[255];
- values.clear();
+ String propertyName = property.getKey();
+ Integer residuePropertyValue = property.getValue().get(res);
- for (int j = 0; j < jSize; j++)
+ if (!resultMap.containsKey(propertyName))
{
- if (sequences[j].getLength() > i)
+ /*
+ * first time we've seen this residue - note whether it has this property
+ */
+ if (residuePropertyValue != null)
{
- char c = sequences[j].getCharAt(i);
-
- if (canonicaliseAa)
- { // lookup the base aa code symbol
- c = (char) ResidueProperties.aaIndex[sequences[j].getCharAt(i)];
- if (c > 20)
- {
- c = '-';
- }
- else
- {
- // recover canonical aa symbol
- c = ResidueProperties.aa[c].charAt(0);
- }
- }
- else
- {
- // original behaviour - operate on ascii symbols directly
- // No need to check if its a '-'
- if (c == '.' || c == ' ')
- {
- c = '-';
- }
-
- c = toUpperCase(c);
- }
- // values[c]++;
- values.add(c, 1);
+ resultMap.put(propertyName, residuePropertyValue);
}
else
{
- // values['-']++;
- values.add('-', 1);
+ /*
+ * unrecognised residue - use default value for property
+ */
+ resultMap.put(propertyName, property.getValue().get("-"));
}
}
+ else
+ {
+ Integer currentResult = resultMap.get(propertyName);
+ if (currentResult.intValue() != -1
+ && !currentResult.equals(residuePropertyValue))
+ {
+ /*
+ * property is unconserved - residues seen both with and without it
+ */
+ resultMap.put(propertyName, Integer.valueOf(-1));
+ }
+ }
+ }
+ }
- // What is the count threshold to count the residues in residueHash()
- int thresh = (threshold * jSize) / 100;
+ /**
+ * Counts residues (upper-cased) and gaps in the given column
+ *
+ * @param column
+ * @return
+ */
+ protected ResidueCount countResidues(int column)
+ {
+ ResidueCount values = new ResidueCount(false);
- // loop over all the found residues
- // Hashtable<String, Integer> resultHash = new Hashtable<String,
- // Integer>();
- Map<String, Integer> resultHash = new TreeMap<String, Integer>();
- // for (char v = '-'; v < 'Z'; v++)
- for (int key = 0; key < values.size(); key++)
+ for (int row = 0; row < sequences.length; row++)
+ {
+ if (sequences[row].getLength() > column)
{
- char v = (char) values.keyAt(key);
- // if (values[v] > thresh)
- if (values.valueAt(key) > thresh)
+ char c = sequences[row].getCharAt(column);
+ if (canonicaliseAa)
{
- String res = String.valueOf(v);
-
- // Now loop over the properties
- for (String type : ResidueProperties.propHash.keySet())
- {
- Map<String, Integer> ht = ResidueProperties.propHash.get(type);
-
- // Have we ticked this before?
- if (!resultHash.containsKey(type))
- {
- if (ht.containsKey(res))
- {
- resultHash.put(type, ht.get(res));
- }
- else
- {
- resultHash.put(type, ht.get("-"));
- }
- }
- else if (!resultHash.get(type).equals(ht.get(res)))
- {
- resultHash.put(type, new Integer(-1));
- }
- }
+ int index = ResidueProperties.aaIndex[c];
+ c = index > 20 ? '-' : ResidueProperties.aa[index].charAt(0);
+ }
+ else
+ {
+ c = toUpperCase(c);
+ }
+ if (Comparison.isGap(c))
+ {
+ values.addGap();
+ }
+ else
+ {
+ values.add(c);
}
}
-
- if (total.length > 0)
+ else
{
- total[i - start] = resultHash;
+ values.addGap();
}
}
+ return values;
}
- /*****************************************************************************
- * count conservation for the j'th column of the alignment
+ /**
+ * Counts conservation and gaps for a column of the alignment
*
- * @return { gap count, conserved residue count}
+ * @return { 1 if fully conserved, else 0, gap count }
*/
- public int[] countConsNGaps(int j)
+ public int[] countConservationAndGaps(int column)
{
- int count = 0;
- int cons = 0;
- int nres = 0;
- int[] r = new int[2];
- char f = '$';
- int i, iSize = sequences.length;
- char c;
+ int gapCount = 0;
+ boolean fullyConserved = true;
+ int iSize = sequences.length;
- for (i = 0; i < iSize; i++)
+ if (iSize == 0)
+ {
+ return new int[] { 0, 0 };
+ }
+
+ char lastRes = '0';
+ for (int i = 0; i < iSize; i++)
{
- if (j >= sequences[i].getLength())
+ if (column >= sequences[i].getLength())
{
- count++;
+ gapCount++;
continue;
}
- c = sequences[i].getCharAt(j); // gaps do not have upper/lower case
+ char c = sequences[i].getCharAt(column); // gaps do not have upper/lower case
- if (jalview.util.Comparison.isGap((c)))
+ if (Comparison.isGap((c)))
{
- count++;
+ gapCount++;
}
else
{
c = toUpperCase(c);
- nres++;
-
- if (nres == 1)
+ if (lastRes == '0')
{
- f = c;
- cons++;
+ lastRes = c;
}
- else if (f == c)
+ if (c != lastRes)
{
- cons++;
+ fullyConserved = false;
}
}
}
- r[0] = (nres == cons) ? 1 : 0;
- r[1] = count;
-
+ int[] r = new int[] { fullyConserved ? 1 : 0, gapCount };
return r;
}
{
if ('a' <= c && c <= 'z')
{
- c -= (32); // 32 = 'a' - 'A'
+ c -= TOUPPERCASE;
}
return c;
}
/**
* Calculates the conservation sequence
*
- * @param consflag
- * if true, positive conservation; false calculates negative
- * conservation
- * @param percentageGaps
- * commonly used value is 25
+ * @param positiveOnly
+ * if true, calculate positive conservation; else calculate both
+ * positive and negative conservation
+ * @param maxPercentageGaps
+ * the percentage of gaps in a column, at or above which no
+ * conservation is asserted
*/
- public void verdict(boolean consflag, float percentageGaps)
+ public void verdict(boolean positiveOnly, float maxPercentageGaps)
{
+ // TODO call this at the end of calculate(), should not be a public method
+
StringBuilder consString = new StringBuilder(end);
// NOTE THIS SHOULD CHECK IF THE CONSEQUENCE ALREADY
consSymbs = new String[end - start + 1];
for (int i = start; i <= end; i++)
{
- int[] gapcons = countConsNGaps(i);
+ int[] gapcons = countConservationAndGaps(i);
+ boolean fullyConserved = gapcons[0] == 1;
int totGaps = gapcons[1];
- float pgaps = ((float) totGaps * 100) / sequences.length;
- StringBuilder positives = new StringBuilder(64);
- StringBuilder negatives = new StringBuilder(32);
- // consSymbs[i - start] = "";
+ float pgaps = (totGaps * 100f) / sequences.length;
- if (percentageGaps > pgaps)
+ if (maxPercentageGaps > pgaps)
{
Map<String, Integer> resultHash = total[i - start];
- // Now find the verdict
int count = 0;
+ StringBuilder positives = new StringBuilder(64);
+ StringBuilder negatives = new StringBuilder(32);
for (String type : resultHash.keySet())
{
int result = resultHash.get(type).intValue();
- // Do we want to count +ve conservation or +ve and -ve cons.?
- if (consflag)
+ if (result == -1)
{
- if (result == 1)
- {
- // consSymbs[i - start] = type + " " + consSymbs[i - start];
- positives.append(positives.length() == 0 ? "" : " ");
- positives.append(type);
- count++;
- }
+ /*
+ * not conserved (present or absent)
+ */
+ continue;
}
- else
+ count++;
+ if (result == 1)
{
- if (result != -1)
- {
- if (result == 0)
- {
- /*
- * add negatively conserved properties on the end
- */
- // consSymbs[i - start] = consSymbs[i - start] + " !" + type;
- negatives.append(negatives.length() == 0 ? "" : " ");
- negatives.append("!").append(type);
- }
- else
- {
- /*
- * put positively conserved properties on the front
- */
- // consSymbs[i - start] = type + " " + consSymbs[i - start];
- positives.append(positives.length() == 0 ? "" : " ");
- positives.append(type);
- }
- count++;
- }
+ /*
+ * positively conserved property (all residues have it)
+ */
+ positives.append(positives.length() == 0 ? "" : " ");
+ positives.append(type);
+ }
+ if (result == 0 && !positiveOnly)
+ {
+ /*
+ * absense of property is conserved (all residues lack it)
+ */
+ negatives.append(negatives.length() == 0 ? "" : " ");
+ negatives.append("!").append(type);
}
}
if (negatives.length() > 0)
}
else
{
- consString.append((gapcons[0] == 1) ? "*" : "+");
+ consString.append(fullyConserved ? "*" : "+");
}
}
else
*
* @param name
* - name of conservation
- * @param threshold
- * - minimum number of conserved residues needed to indicate
- * conservation (typically 3)
* @param seqs
* @param start
* first column in calculation window
* @param end
* last column in calculation window
- * @param posOrNeg
- * positive (true) or negative (false) conservation
- * @param consPercGaps
+ * @param positiveOnly
+ * calculate positive (true) or positive and negative (false)
+ * conservation
+ * @param maxPercentGaps
* percentage of gaps tolerated in column
* @param calcQuality
* flag indicating if alignment quality should be calculated
* @return Conservation object ready for use in visualization
*/
public static Conservation calculateConservation(String name,
- int threshold, List<SequenceI> seqs, int start, int end,
- boolean posOrNeg, int consPercGaps, boolean calcQuality)
+ List<SequenceI> seqs, int start, int end, boolean positiveOnly,
+ int maxPercentGaps, boolean calcQuality)
{
- Conservation cons = new Conservation(name, threshold, seqs, start, end);
+ Conservation cons = new Conservation(name, seqs, start, end);
cons.calculate();
- cons.verdict(posOrNeg, consPercGaps);
+ cons.verdict(positiveOnly, maxPercentGaps);
if (calcQuality)
{
return cons;
}
+
+ /**
+ * Returns the computed tooltip (annotation description) for a given column.
+ * The tip is empty if the conservation score is zero, otherwise holds the
+ * conserved properties (and, optionally, properties whose absence is
+ * conserved).
+ *
+ * @param column
+ * @return
+ */
+ String getTooltip(int column)
+ {
+ char[] sequence = getConsSequence().getSequence();
+ char val = column < sequence.length ? sequence[column] : '-';
+ boolean hasConservation = val != '-' && val != '0';
+ int consp = column - start;
+ String tip = (hasConservation && consp > -1 && consp < consSymbs.length) ? consSymbs[consp]
+ : "";
+ return tip;
+ }
}
package jalview.api;
import jalview.analysis.Conservation;
-import jalview.analysis.Profile;
import jalview.datamodel.AlignmentAnnotation;
import jalview.datamodel.AlignmentI;
import jalview.datamodel.AlignmentView;
import jalview.datamodel.CigarArray;
import jalview.datamodel.ColumnSelection;
+import jalview.datamodel.ProfileI;
import jalview.datamodel.SequenceCollectionI;
import jalview.datamodel.SequenceGroup;
import jalview.datamodel.SequenceI;
ColumnSelection getColumnSelection();
- Profile[] getSequenceConsensusHash();
+ ProfileI[] getSequenceConsensusHash();
/**
* Get consensus data table for the cDNA complement of this alignment (if any)
*
* @param hconsensus
*/
- void setSequenceConsensusHash(Profile[] hconsensus);
+ void setSequenceConsensusHash(ProfileI[] hconsensus);
/**
* Set the cDNA complement consensus for the viewport
if (conservationMenuItem.getState())
{
-
- sg.cs.setConservation(Conservation.calculateConservation("Group", 3,
- sg.getSequences(ap.av.getHiddenRepSequences()), 0, ap.av
- .getAlignment().getWidth(), false, ap.av
- .getConsPercGaps(), false));
+ sg.cs.setConservation(Conservation.calculateConservation("Group", sg
+ .getSequences(ap.av.getHiddenRepSequences()), 0, ap.av
+ .getAlignment().getWidth(), false, ap.av.getConsPercGaps(),
+ false));
SliderPanel.setConservationSlider(ap, sg.cs, sg.getName());
SliderPanel.showConservationSlider();
}
if (av.getGlobalColourScheme() != null
&& av.getGlobalColourScheme().conservationApplied())
{
- Conservation c = new Conservation("Group", 3,
- sg.getSequences(null), sg.getStartRes(), sg.getEndRes());
+ Conservation c = new Conservation("Group", sg.getSequences(null),
+ sg.getStartRes(), sg.getEndRes());
c.calculate();
c.verdict(false, av.getConsPercGaps());
-package jalview.analysis;
+package jalview.datamodel;
/**
- * A data bean to hold the result of computing a profile for a column of an
- * alignment
+ * A profile for one column of an alignment
*
* @author gmcarstairs
*
*/
-public class Profile
+public class Profile implements ProfileI
{
/*
- * counts of keys (chars)
+ * an object holding counts of symbols in the profile
*/
private ResidueCount counts;
/*
- * the number of sequences in the profile
+ * the number of sequences (gapped or not) in the profile
*/
private int height;
this.modalResidue = modalRes;
}
- /**
- * Set the full profile of counts
- *
- * @param residueCounts
+ /* (non-Javadoc)
+ * @see jalview.datamodel.ProfileI#setCounts(jalview.datamodel.ResidueCount)
*/
+ @Override
public void setCounts(ResidueCount residueCounts)
{
this.counts = residueCounts;
}
- /**
- * Returns the percentage identity of the profile, i.e. the highest proportion
- * of conserved (equal) symbols. The percentage is as a fraction of all
- * sequences, or only ungapped sequences if flag ignoreGaps is set true.
- *
- * @param ignoreGaps
- * @return
+ /* (non-Javadoc)
+ * @see jalview.datamodel.ProfileI#getPercentageIdentity(boolean)
*/
+ @Override
public float getPercentageIdentity(boolean ignoreGaps)
{
if (height == 0)
return pid;
}
- /**
- * Returns the full symbol counts for this profile
- *
- * @return
+ /* (non-Javadoc)
+ * @see jalview.datamodel.ProfileI#getCounts()
*/
+ @Override
public ResidueCount getCounts()
{
return counts;
}
- /**
- * Returns the number of sequences in the profile
- *
- * @return
+ /* (non-Javadoc)
+ * @see jalview.datamodel.ProfileI#getHeight()
*/
+ @Override
public int getHeight()
{
return height;
}
- /**
- * Returns the number of sequences in the profile which had a gap character
- * (or were too short to be included in this column's profile)
- *
- * @return
+ /* (non-Javadoc)
+ * @see jalview.datamodel.ProfileI#getGapped()
*/
+ @Override
public int getGapped()
{
return gapped;
}
- /**
- * Returns the highest count for any symbol(s) in the profile
- *
- * @return
+ /* (non-Javadoc)
+ * @see jalview.datamodel.ProfileI#getMaxCount()
*/
+ @Override
public int getMaxCount()
{
return maxCount;
}
- /**
- * Returns the symbol (or concatenated symbols) which have the highest count
- * in the profile, or an empty string if there were no symbols counted
- *
- * @return
+ /* (non-Javadoc)
+ * @see jalview.datamodel.ProfileI#getModalResidue()
*/
+ @Override
public String getModalResidue()
{
return modalResidue;
}
- /**
- * Answers the number of non-gapped sequences in the profile
- *
- * @return
+ /* (non-Javadoc)
+ * @see jalview.datamodel.ProfileI#getNonGapped()
*/
+ @Override
public int getNonGapped()
{
return height - gapped;
--- /dev/null
+package jalview.datamodel;
+
+public interface ProfileI
+{
+
+ /**
+ * Set the full profile of counts
+ *
+ * @param residueCounts
+ */
+ public abstract void setCounts(ResidueCount residueCounts);
+
+ /**
+ * Returns the percentage identity of the profile, i.e. the highest proportion
+ * of conserved (equal) symbols. The percentage is as a fraction of all
+ * sequences, or only ungapped sequences if flag ignoreGaps is set true.
+ *
+ * @param ignoreGaps
+ * @return
+ */
+ public abstract float getPercentageIdentity(boolean ignoreGaps);
+
+ /**
+ * Returns the full symbol counts for this profile
+ *
+ * @return
+ */
+ public abstract ResidueCount getCounts();
+
+ /**
+ * Returns the number of sequences in the profile
+ *
+ * @return
+ */
+ public abstract int getHeight();
+
+ /**
+ * Returns the number of sequences in the profile which had a gap character
+ * (or were too short to be included in this column's profile)
+ *
+ * @return
+ */
+ public abstract int getGapped();
+
+ /**
+ * Returns the highest count for any symbol(s) in the profile
+ *
+ * @return
+ */
+ public abstract int getMaxCount();
+
+ /**
+ * Returns the symbol (or concatenated symbols) which have the highest count
+ * in the profile, or an empty string if there were no symbols counted
+ *
+ * @return
+ */
+ public abstract String getModalResidue();
+
+ /**
+ * Answers the number of non-gapped sequences in the profile
+ *
+ * @return
+ */
+ public abstract int getNonGapped();
+
+}
\ No newline at end of file
-package jalview.analysis;
+package jalview.datamodel;
import jalview.util.Comparison;
import jalview.util.Format;
/*
* keeps track of the maximum count value recorded
- * (if this class every allows decrements, would need to
+ * (if this class ever allows decrements, would need to
* calculate this on request instead)
*/
int maxCount;
import jalview.analysis.AAFrequency;
import jalview.analysis.Conservation;
-import jalview.analysis.Profile;
import jalview.schemes.ColourSchemeI;
import java.awt.Color;
boolean upd = false;
try
{
- Profile[] cnsns = AAFrequency.calculate(sequences, startRes,
+ ProfileI[] cnsns = AAFrequency.calculate(sequences, startRes,
endRes + 1, showSequenceLogo);
if (consensus != null)
{
if ((conservation != null)
|| (cs != null && cs.conservationApplied()))
{
- Conservation c = new Conservation(groupName, 3, sequences,
- startRes, endRes + 1);
+ Conservation c = new Conservation(groupName, sequences, startRes,
+ endRes + 1);
c.calculate();
c.verdict(false, consPercGaps);
if (conservation != null)
c.completeAnnotations(conservation, null, startRes, endRes + 1);
}
- public Profile[] consensusData = null;
+ public ProfileI[] consensusData = null;
- private void _updateConsensusRow(Profile[] cnsns, long nseq)
+ private void _updateConsensusRow(ProfileI[] cnsns, long nseq)
{
if (consensus == null)
{
import jalview.io.JalviewFileView;
import jalview.io.JnetAnnotationMaker;
import jalview.io.NewickFile;
+import jalview.io.StructureFile;
import jalview.io.TCoffeeScoreFile;
import jalview.jbgui.GAlignFrame;
import jalview.schemes.Blosum62ColourScheme;
}
if (type != null)
{
- if (type.equalsIgnoreCase("PDB")
- || type.equalsIgnoreCase("mmCIF"))
+ if (StructureFile.isStructureFile(type))
{
filesmatched.add(new Object[] { file, protocol, mtch });
continue;
}
if (jGroup.getConsThreshold() != 0)
{
- Conservation c = new Conservation("All", 3,
- sg.getSequences(null), 0, sg.getWidth() - 1);
+ Conservation c = new Conservation("All", sg.getSequences(null),
+ 0, sg.getWidth() - 1);
c.calculate();
c.verdict(false, 25);
sg.cs.setConservation(c);
if (groups[i].getConsThreshold() != 0)
{
- Conservation c = new Conservation("All", 3,
- sg.getSequences(null), 0, sg.getWidth() - 1);
+ Conservation c = new Conservation("All", sg.getSequences(null),
+ 0, sg.getWidth() - 1);
c.calculate();
c.verdict(false, 25);
sg.cs.setConservation(c);
if (conservationMenuItem.isSelected())
{
// JBPNote: Conservation name shouldn't be i18n translated
- Conservation c = new Conservation("Group", 3, sg.getSequences(ap.av
+ Conservation c = new Conservation("Group", sg.getSequences(ap.av
.getHiddenRepSequences()), sg.getStartRes(),
sg.getEndRes() + 1);
if (aps[a].av.getGlobalColourScheme() != null
&& aps[a].av.getGlobalColourScheme().conservationApplied())
{
- Conservation c = new Conservation("Group", 3,
- sg.getSequences(null), sg.getStartRes(), sg.getEndRes());
+ Conservation c = new Conservation("Group", sg.getSequences(null),
+ sg.getStartRes(), sg.getEndRes());
c.calculate();
c.verdict(false, aps[a].av.getConsPercGaps());
sg.cs.setConservation(c);
else if (key.equalsIgnoreCase("consThreshold"))
{
sg.cs.setConservationInc(Integer.parseInt(value));
- Conservation c = new Conservation("Group", 3,
- sg.getSequences(null), sg.getStartRes(),
- sg.getEndRes() + 1);
+ Conservation c = new Conservation("Group", sg.getSequences(null),
+ sg.getStartRes(), sg.getEndRes() + 1);
c.calculate();
c.verdict(false, 25); // TODO: refer to conservation percent threshold
private String id;
+ public enum StructureFileType
+ {
+ PDB, MMCIF, MMTF
+ };
+
private PDBEntry.Type dbRefType;
/**
{
this.pdbIdAvailable = pdbIdAvailable;
}
+
+ public static boolean isStructureFile(String fileType)
+ {
+ if (fileType == null)
+ {
+ return false;
+ }
+ for (StructureFileType sfType : StructureFileType.values())
+ {
+ if (sfType.name().equalsIgnoreCase(fileType))
+ {
+ return true;
+ }
+ }
+ return false;
+ }
}
import jalview.analysis.AAFrequency;
import jalview.analysis.CodingUtils;
-import jalview.analysis.Profile;
import jalview.analysis.Rna;
import jalview.analysis.StructureFrequency;
import jalview.api.AlignViewportI;
import jalview.datamodel.AlignmentAnnotation;
import jalview.datamodel.Annotation;
import jalview.datamodel.ColumnSelection;
+import jalview.datamodel.ProfileI;
import jalview.schemes.ColourSchemeI;
import jalview.schemes.ResidueProperties;
import jalview.util.Platform;
private ColumnSelection columnSelection;
- private Profile[] hconsensus;
+ private ProfileI[] hconsensus;
private Hashtable[] complementConsensus;
*/
package jalview.schemes;
-import jalview.analysis.Profile;
import jalview.datamodel.AnnotatedCollectionI;
+import jalview.datamodel.ProfileI;
import jalview.datamodel.SequenceCollectionI;
import jalview.datamodel.SequenceI;
/**
* assign the given consensus profile for the colourscheme
*/
- public void setConsensus(Profile[] hconsensus);
+ public void setConsensus(ProfileI[] hconsensus);
/**
* assign the given conservation to the colourscheme
package jalview.schemes;
import jalview.analysis.Conservation;
-import jalview.analysis.Profile;
+import jalview.datamodel.ProfileI;
/**
* Colourscheme that takes its colours from some other colourscheme
}
@Override
- public void setConsensus(Profile[] consensus)
+ public void setConsensus(ProfileI[] consensus)
{
if (colourScheme != null)
{
package jalview.schemes;
import jalview.analysis.Conservation;
-import jalview.analysis.Profile;
import jalview.datamodel.AnnotatedCollectionI;
+import jalview.datamodel.ProfileI;
import jalview.datamodel.SequenceCollectionI;
import jalview.datamodel.SequenceI;
import jalview.util.ColorUtils;
/*
* Consensus data indexed by column
*/
- Profile[] consensus;
+ ProfileI[] consensus;
/*
* Conservation string as a char array
* DOCUMENT ME!
*/
@Override
- public void setConsensus(Profile[] consensus)
+ public void setConsensus(ProfileI[] consensus)
{
if (consensus == null)
{
purinepyrimidineIndex['n'] = 2;
}
+ private static final Integer ONE = Integer.valueOf(1);
+
+ private static final Integer ZERO = Integer.valueOf(0);
+
static
{
- aa3Hash.put("ALA", Integer.valueOf(0));
- aa3Hash.put("ARG", Integer.valueOf(1));
+ aa3Hash.put("ALA", ZERO);
+ aa3Hash.put("ARG", ONE);
aa3Hash.put("ASN", Integer.valueOf(2));
aa3Hash.put("ASP", Integer.valueOf(3)); // D
aa3Hash.put("CYS", Integer.valueOf(4));
static
{
- hydrophobic.put("I", Integer.valueOf(1));
- hydrophobic.put("L", Integer.valueOf(1));
- hydrophobic.put("V", Integer.valueOf(1));
- hydrophobic.put("C", Integer.valueOf(1));
- hydrophobic.put("A", Integer.valueOf(1));
- hydrophobic.put("G", Integer.valueOf(1));
- hydrophobic.put("M", Integer.valueOf(1));
- hydrophobic.put("F", Integer.valueOf(1));
- hydrophobic.put("Y", Integer.valueOf(1));
- hydrophobic.put("W", Integer.valueOf(1));
- hydrophobic.put("H", Integer.valueOf(1));
- hydrophobic.put("K", Integer.valueOf(1));
- hydrophobic.put("X", Integer.valueOf(1));
- hydrophobic.put("-", Integer.valueOf(1));
- hydrophobic.put("*", Integer.valueOf(1));
- hydrophobic.put("R", Integer.valueOf(0));
- hydrophobic.put("E", Integer.valueOf(0));
- hydrophobic.put("Q", Integer.valueOf(0));
- hydrophobic.put("D", Integer.valueOf(0));
- hydrophobic.put("N", Integer.valueOf(0));
- hydrophobic.put("S", Integer.valueOf(0));
- hydrophobic.put("T", Integer.valueOf(0));
- hydrophobic.put("P", Integer.valueOf(0));
+ hydrophobic.put("I", ONE);
+ hydrophobic.put("L", ONE);
+ hydrophobic.put("V", ONE);
+ hydrophobic.put("C", ONE);
+ hydrophobic.put("A", ONE);
+ hydrophobic.put("G", ONE);
+ hydrophobic.put("M", ONE);
+ hydrophobic.put("F", ONE);
+ hydrophobic.put("Y", ONE);
+ hydrophobic.put("W", ONE);
+ hydrophobic.put("H", ONE);
+ hydrophobic.put("K", ONE);
+ hydrophobic.put("X", ONE);
+ hydrophobic.put("-", ONE);
+ hydrophobic.put("*", ONE);
+ hydrophobic.put("R", ZERO);
+ hydrophobic.put("E", ZERO);
+ hydrophobic.put("Q", ZERO);
+ hydrophobic.put("D", ZERO);
+ hydrophobic.put("N", ZERO);
+ hydrophobic.put("S", ZERO);
+ hydrophobic.put("T", ZERO);
+ hydrophobic.put("P", ZERO);
}
static
{
- polar.put("Y", Integer.valueOf(1));
- polar.put("W", Integer.valueOf(1));
- polar.put("H", Integer.valueOf(1));
- polar.put("K", Integer.valueOf(1));
- polar.put("R", Integer.valueOf(1));
- polar.put("E", Integer.valueOf(1));
- polar.put("Q", Integer.valueOf(1));
- polar.put("D", Integer.valueOf(1));
- polar.put("N", Integer.valueOf(1));
- polar.put("S", Integer.valueOf(1));
- polar.put("T", Integer.valueOf(1));
- polar.put("X", Integer.valueOf(1));
- polar.put("-", Integer.valueOf(1));
- polar.put("*", Integer.valueOf(1));
- polar.put("I", Integer.valueOf(0));
- polar.put("L", Integer.valueOf(0));
- polar.put("V", Integer.valueOf(0));
- polar.put("C", Integer.valueOf(0));
- polar.put("A", Integer.valueOf(0));
- polar.put("G", Integer.valueOf(0));
- polar.put("M", Integer.valueOf(0));
- polar.put("F", Integer.valueOf(0));
- polar.put("P", Integer.valueOf(0));
+ polar.put("Y", ONE);
+ polar.put("W", ONE);
+ polar.put("H", ONE);
+ polar.put("K", ONE);
+ polar.put("R", ONE);
+ polar.put("E", ONE);
+ polar.put("Q", ONE);
+ polar.put("D", ONE);
+ polar.put("N", ONE);
+ polar.put("S", ONE);
+ polar.put("T", ONE);
+ polar.put("X", ONE);
+ polar.put("-", ONE);
+ polar.put("*", ONE);
+ polar.put("I", ZERO);
+ polar.put("L", ZERO);
+ polar.put("V", ZERO);
+ polar.put("C", ZERO);
+ polar.put("A", ZERO);
+ polar.put("G", ZERO);
+ polar.put("M", ZERO);
+ polar.put("F", ZERO);
+ polar.put("P", ZERO);
}
static
{
- small.put("I", Integer.valueOf(0));
- small.put("L", Integer.valueOf(0));
- small.put("V", Integer.valueOf(1));
- small.put("C", Integer.valueOf(1));
- small.put("A", Integer.valueOf(1));
- small.put("G", Integer.valueOf(1));
- small.put("M", Integer.valueOf(0));
- small.put("F", Integer.valueOf(0));
- small.put("Y", Integer.valueOf(0));
- small.put("W", Integer.valueOf(0));
- small.put("H", Integer.valueOf(0));
- small.put("K", Integer.valueOf(0));
- small.put("R", Integer.valueOf(0));
- small.put("E", Integer.valueOf(0));
- small.put("Q", Integer.valueOf(0));
- small.put("D", Integer.valueOf(1));
- small.put("N", Integer.valueOf(1));
- small.put("S", Integer.valueOf(1));
- small.put("T", Integer.valueOf(1));
- small.put("P", Integer.valueOf(1));
- small.put("-", Integer.valueOf(1));
- small.put("*", Integer.valueOf(1));
+ small.put("I", ZERO);
+ small.put("L", ZERO);
+ small.put("V", ONE);
+ small.put("C", ONE);
+ small.put("A", ONE);
+ small.put("G", ONE);
+ small.put("M", ZERO);
+ small.put("F", ZERO);
+ small.put("Y", ZERO);
+ small.put("W", ZERO);
+ small.put("H", ZERO);
+ small.put("K", ZERO);
+ small.put("R", ZERO);
+ small.put("E", ZERO);
+ small.put("Q", ZERO);
+ small.put("D", ONE);
+ small.put("N", ONE);
+ small.put("S", ONE);
+ small.put("T", ONE);
+ small.put("P", ONE);
+ small.put("-", ONE);
+ small.put("*", ONE);
}
static
{
- positive.put("I", Integer.valueOf(0));
- positive.put("L", Integer.valueOf(0));
- positive.put("V", Integer.valueOf(0));
- positive.put("C", Integer.valueOf(0));
- positive.put("A", Integer.valueOf(0));
- positive.put("G", Integer.valueOf(0));
- positive.put("M", Integer.valueOf(0));
- positive.put("F", Integer.valueOf(0));
- positive.put("Y", Integer.valueOf(0));
- positive.put("W", Integer.valueOf(0));
- positive.put("H", Integer.valueOf(1));
- positive.put("K", Integer.valueOf(1));
- positive.put("R", Integer.valueOf(1));
- positive.put("E", Integer.valueOf(0));
- positive.put("Q", Integer.valueOf(0));
- positive.put("D", Integer.valueOf(0));
- positive.put("N", Integer.valueOf(0));
- positive.put("S", Integer.valueOf(0));
- positive.put("T", Integer.valueOf(0));
- positive.put("P", Integer.valueOf(0));
- positive.put("-", Integer.valueOf(1));
- positive.put("*", Integer.valueOf(1));
+ positive.put("I", ZERO);
+ positive.put("L", ZERO);
+ positive.put("V", ZERO);
+ positive.put("C", ZERO);
+ positive.put("A", ZERO);
+ positive.put("G", ZERO);
+ positive.put("M", ZERO);
+ positive.put("F", ZERO);
+ positive.put("Y", ZERO);
+ positive.put("W", ZERO);
+ positive.put("H", ONE);
+ positive.put("K", ONE);
+ positive.put("R", ONE);
+ positive.put("E", ZERO);
+ positive.put("Q", ZERO);
+ positive.put("D", ZERO);
+ positive.put("N", ZERO);
+ positive.put("S", ZERO);
+ positive.put("T", ZERO);
+ positive.put("P", ZERO);
+ positive.put("-", ONE);
+ positive.put("*", ONE);
}
static
{
- negative.put("I", Integer.valueOf(0));
- negative.put("L", Integer.valueOf(0));
- negative.put("V", Integer.valueOf(0));
- negative.put("C", Integer.valueOf(0));
- negative.put("A", Integer.valueOf(0));
- negative.put("G", Integer.valueOf(0));
- negative.put("M", Integer.valueOf(0));
- negative.put("F", Integer.valueOf(0));
- negative.put("Y", Integer.valueOf(0));
- negative.put("W", Integer.valueOf(0));
- negative.put("H", Integer.valueOf(0));
- negative.put("K", Integer.valueOf(0));
- negative.put("R", Integer.valueOf(0));
- negative.put("E", Integer.valueOf(1));
- negative.put("Q", Integer.valueOf(0));
- negative.put("D", Integer.valueOf(1));
- negative.put("N", Integer.valueOf(0));
- negative.put("S", Integer.valueOf(0));
- negative.put("T", Integer.valueOf(0));
- negative.put("P", Integer.valueOf(0));
- negative.put("-", Integer.valueOf(1));
- negative.put("*", Integer.valueOf(1));
+ negative.put("I", ZERO);
+ negative.put("L", ZERO);
+ negative.put("V", ZERO);
+ negative.put("C", ZERO);
+ negative.put("A", ZERO);
+ negative.put("G", ZERO);
+ negative.put("M", ZERO);
+ negative.put("F", ZERO);
+ negative.put("Y", ZERO);
+ negative.put("W", ZERO);
+ negative.put("H", ZERO);
+ negative.put("K", ZERO);
+ negative.put("R", ZERO);
+ negative.put("E", ONE);
+ negative.put("Q", ZERO);
+ negative.put("D", ONE);
+ negative.put("N", ZERO);
+ negative.put("S", ZERO);
+ negative.put("T", ZERO);
+ negative.put("P", ZERO);
+ negative.put("-", ONE);
+ negative.put("*", ONE);
}
static
{
- charged.put("I", Integer.valueOf(0));
- charged.put("L", Integer.valueOf(0));
- charged.put("V", Integer.valueOf(0));
- charged.put("C", Integer.valueOf(0));
- charged.put("A", Integer.valueOf(0));
- charged.put("G", Integer.valueOf(0));
- charged.put("M", Integer.valueOf(0));
- charged.put("F", Integer.valueOf(0));
- charged.put("Y", Integer.valueOf(0));
- charged.put("W", Integer.valueOf(0));
- charged.put("H", Integer.valueOf(1));
- charged.put("K", Integer.valueOf(1));
- charged.put("R", Integer.valueOf(1));
- charged.put("E", Integer.valueOf(1));
- charged.put("Q", Integer.valueOf(0));
- charged.put("D", Integer.valueOf(1));
- charged.put("N", Integer.valueOf(0)); // Asparagine is polar but not
+ charged.put("I", ZERO);
+ charged.put("L", ZERO);
+ charged.put("V", ZERO);
+ charged.put("C", ZERO);
+ charged.put("A", ZERO);
+ charged.put("G", ZERO);
+ charged.put("M", ZERO);
+ charged.put("F", ZERO);
+ charged.put("Y", ZERO);
+ charged.put("W", ZERO);
+ charged.put("H", ONE);
+ charged.put("K", ONE);
+ charged.put("R", ONE);
+ charged.put("E", ONE);
+ charged.put("Q", ZERO);
+ charged.put("D", ONE);
+ charged.put("N", ZERO); // Asparagine is polar but not
// charged.
// Alternative would be charged and
// negative (in basic form)?
- charged.put("S", Integer.valueOf(0));
- charged.put("T", Integer.valueOf(0));
- charged.put("P", Integer.valueOf(0));
- charged.put("-", Integer.valueOf(1));
- charged.put("*", Integer.valueOf(1));
+ charged.put("S", ZERO);
+ charged.put("T", ZERO);
+ charged.put("P", ZERO);
+ charged.put("-", ONE);
+ charged.put("*", ONE);
}
static
{
- aromatic.put("I", Integer.valueOf(0));
- aromatic.put("L", Integer.valueOf(0));
- aromatic.put("V", Integer.valueOf(0));
- aromatic.put("C", Integer.valueOf(0));
- aromatic.put("A", Integer.valueOf(0));
- aromatic.put("G", Integer.valueOf(0));
- aromatic.put("M", Integer.valueOf(0));
- aromatic.put("F", Integer.valueOf(1));
- aromatic.put("Y", Integer.valueOf(1));
- aromatic.put("W", Integer.valueOf(1));
- aromatic.put("H", Integer.valueOf(1));
- aromatic.put("K", Integer.valueOf(0));
- aromatic.put("R", Integer.valueOf(0));
- aromatic.put("E", Integer.valueOf(0));
- aromatic.put("Q", Integer.valueOf(0));
- aromatic.put("D", Integer.valueOf(0));
- aromatic.put("N", Integer.valueOf(0));
- aromatic.put("S", Integer.valueOf(0));
- aromatic.put("T", Integer.valueOf(0));
- aromatic.put("P", Integer.valueOf(0));
- aromatic.put("-", Integer.valueOf(1));
- aromatic.put("*", Integer.valueOf(1));
+ aromatic.put("I", ZERO);
+ aromatic.put("L", ZERO);
+ aromatic.put("V", ZERO);
+ aromatic.put("C", ZERO);
+ aromatic.put("A", ZERO);
+ aromatic.put("G", ZERO);
+ aromatic.put("M", ZERO);
+ aromatic.put("F", ONE);
+ aromatic.put("Y", ONE);
+ aromatic.put("W", ONE);
+ aromatic.put("H", ONE);
+ aromatic.put("K", ZERO);
+ aromatic.put("R", ZERO);
+ aromatic.put("E", ZERO);
+ aromatic.put("Q", ZERO);
+ aromatic.put("D", ZERO);
+ aromatic.put("N", ZERO);
+ aromatic.put("S", ZERO);
+ aromatic.put("T", ZERO);
+ aromatic.put("P", ZERO);
+ aromatic.put("-", ONE);
+ aromatic.put("*", ONE);
}
static
{
- aliphatic.put("I", Integer.valueOf(1));
- aliphatic.put("L", Integer.valueOf(1));
- aliphatic.put("V", Integer.valueOf(1));
- aliphatic.put("C", Integer.valueOf(0));
- aliphatic.put("A", Integer.valueOf(0));
- aliphatic.put("G", Integer.valueOf(0));
- aliphatic.put("M", Integer.valueOf(0));
- aliphatic.put("F", Integer.valueOf(0));
- aliphatic.put("Y", Integer.valueOf(0));
- aliphatic.put("W", Integer.valueOf(0));
- aliphatic.put("H", Integer.valueOf(0));
- aliphatic.put("K", Integer.valueOf(0));
- aliphatic.put("R", Integer.valueOf(0));
- aliphatic.put("E", Integer.valueOf(0));
- aliphatic.put("Q", Integer.valueOf(0));
- aliphatic.put("D", Integer.valueOf(0));
- aliphatic.put("N", Integer.valueOf(0));
- aliphatic.put("S", Integer.valueOf(0));
- aliphatic.put("T", Integer.valueOf(0));
- aliphatic.put("P", Integer.valueOf(0));
- aliphatic.put("-", Integer.valueOf(1));
- aliphatic.put("*", Integer.valueOf(1));
+ aliphatic.put("I", ONE);
+ aliphatic.put("L", ONE);
+ aliphatic.put("V", ONE);
+ aliphatic.put("C", ZERO);
+ aliphatic.put("A", ZERO);
+ aliphatic.put("G", ZERO);
+ aliphatic.put("M", ZERO);
+ aliphatic.put("F", ZERO);
+ aliphatic.put("Y", ZERO);
+ aliphatic.put("W", ZERO);
+ aliphatic.put("H", ZERO);
+ aliphatic.put("K", ZERO);
+ aliphatic.put("R", ZERO);
+ aliphatic.put("E", ZERO);
+ aliphatic.put("Q", ZERO);
+ aliphatic.put("D", ZERO);
+ aliphatic.put("N", ZERO);
+ aliphatic.put("S", ZERO);
+ aliphatic.put("T", ZERO);
+ aliphatic.put("P", ZERO);
+ aliphatic.put("-", ONE);
+ aliphatic.put("*", ONE);
}
static
{
- tiny.put("I", Integer.valueOf(0));
- tiny.put("L", Integer.valueOf(0));
- tiny.put("V", Integer.valueOf(0));
- tiny.put("C", Integer.valueOf(0));
- tiny.put("A", Integer.valueOf(1));
- tiny.put("G", Integer.valueOf(1));
- tiny.put("M", Integer.valueOf(0));
- tiny.put("F", Integer.valueOf(0));
- tiny.put("Y", Integer.valueOf(0));
- tiny.put("W", Integer.valueOf(0));
- tiny.put("H", Integer.valueOf(0));
- tiny.put("K", Integer.valueOf(0));
- tiny.put("R", Integer.valueOf(0));
- tiny.put("E", Integer.valueOf(0));
- tiny.put("Q", Integer.valueOf(0));
- tiny.put("D", Integer.valueOf(0));
- tiny.put("N", Integer.valueOf(0));
- tiny.put("S", Integer.valueOf(1));
- tiny.put("T", Integer.valueOf(0));
- tiny.put("P", Integer.valueOf(0));
- tiny.put("-", Integer.valueOf(1));
- tiny.put("*", Integer.valueOf(1));
+ tiny.put("I", ZERO);
+ tiny.put("L", ZERO);
+ tiny.put("V", ZERO);
+ tiny.put("C", ZERO);
+ tiny.put("A", ONE);
+ tiny.put("G", ONE);
+ tiny.put("M", ZERO);
+ tiny.put("F", ZERO);
+ tiny.put("Y", ZERO);
+ tiny.put("W", ZERO);
+ tiny.put("H", ZERO);
+ tiny.put("K", ZERO);
+ tiny.put("R", ZERO);
+ tiny.put("E", ZERO);
+ tiny.put("Q", ZERO);
+ tiny.put("D", ZERO);
+ tiny.put("N", ZERO);
+ tiny.put("S", ONE);
+ tiny.put("T", ZERO);
+ tiny.put("P", ZERO);
+ tiny.put("-", ONE);
+ tiny.put("*", ONE);
}
static
{
- proline.put("I", Integer.valueOf(0));
- proline.put("L", Integer.valueOf(0));
- proline.put("V", Integer.valueOf(0));
- proline.put("C", Integer.valueOf(0));
- proline.put("A", Integer.valueOf(0));
- proline.put("G", Integer.valueOf(0));
- proline.put("M", Integer.valueOf(0));
- proline.put("F", Integer.valueOf(0));
- proline.put("Y", Integer.valueOf(0));
- proline.put("W", Integer.valueOf(0));
- proline.put("H", Integer.valueOf(0));
- proline.put("K", Integer.valueOf(0));
- proline.put("R", Integer.valueOf(0));
- proline.put("E", Integer.valueOf(0));
- proline.put("Q", Integer.valueOf(0));
- proline.put("D", Integer.valueOf(0));
- proline.put("N", Integer.valueOf(0));
- proline.put("S", Integer.valueOf(0));
- proline.put("T", Integer.valueOf(0));
- proline.put("P", Integer.valueOf(1));
- proline.put("-", Integer.valueOf(1));
- proline.put("*", Integer.valueOf(1));
+ proline.put("I", ZERO);
+ proline.put("L", ZERO);
+ proline.put("V", ZERO);
+ proline.put("C", ZERO);
+ proline.put("A", ZERO);
+ proline.put("G", ZERO);
+ proline.put("M", ZERO);
+ proline.put("F", ZERO);
+ proline.put("Y", ZERO);
+ proline.put("W", ZERO);
+ proline.put("H", ZERO);
+ proline.put("K", ZERO);
+ proline.put("R", ZERO);
+ proline.put("E", ZERO);
+ proline.put("Q", ZERO);
+ proline.put("D", ZERO);
+ proline.put("N", ZERO);
+ proline.put("S", ZERO);
+ proline.put("T", ZERO);
+ proline.put("P", ONE);
+ proline.put("-", ONE);
+ proline.put("*", ONE);
}
static
*/
package jalview.util;
+import java.util.Arrays;
+
/**
* DOCUMENT ME!
*
}
/**
- * DOCUMENT ME!
+ * Returns a string consisting of n repeats of character c
*
* @param c
- * DOCUMENT ME!
* @param n
- * DOCUMENT ME!
*
- * @return DOCUMENT ME!
+ * @return
*/
- private static String repeat(char c, int n)
+ static String repeat(char c, int n)
{
if (n <= 0)
{
return "";
}
-
- StringBuffer s = new StringBuffer(n);
-
- for (int i = 0; i < n; i++)
- {
- s.append(c);
- }
-
- return s.toString();
+ char[] chars = new char[n];
+ Arrays.fill(chars, c);
+ return new String(chars);
}
/**
*/
public static void appendPercentage(StringBuilder sb, float value, int dp)
{
- sb.append((int) value);
+ /*
+ * rounding first
+ */
+ double d = value;
+ long factor = 1L;
+ for (int i = 0; i < dp; i++)
+ {
+ factor *= 10;
+ }
+ d *= factor;
+ d += 0.5;
+
+ /*
+ * integer part
+ */
+ value = (float) (d / factor);
+ sb.append((long) value);
+
+ /*
+ * decimal places
+ */
if (dp > 0)
{
sb.append(".");
import jalview.analysis.AnnotationSorter.SequenceAnnotationOrder;
import jalview.analysis.Conservation;
-import jalview.analysis.Profile;
import jalview.api.AlignCalcManagerI;
import jalview.api.AlignViewportI;
import jalview.api.AlignmentViewPanel;
import jalview.datamodel.CigarArray;
import jalview.datamodel.ColumnSelection;
import jalview.datamodel.HiddenSequences;
+import jalview.datamodel.ProfileI;
import jalview.datamodel.SearchResults;
import jalview.datamodel.Sequence;
import jalview.datamodel.SequenceCollectionI;
/**
* results of alignment consensus analysis for visible portion of view
*/
- protected Profile[] hconsensus = null;
+ protected ProfileI[] hconsensus = null;
/**
* results of cDNA complement consensus visible portion of view
}
@Override
- public void setSequenceConsensusHash(Profile[] hconsensus)
+ public void setSequenceConsensusHash(ProfileI[] hconsensus)
{
this.hconsensus = hconsensus;
}
}
@Override
- public Profile[] getSequenceConsensusHash()
+ public ProfileI[] getSequenceConsensusHash()
{
return hconsensus;
}
cs.setConsensus(hconsensus);
if (cs.conservationApplied())
{
- cs.setConservation(Conservation.calculateConservation("All", 3,
+ cs.setConservation(Conservation.calculateConservation("All",
alignment.getSequences(), 0, alignment.getWidth(), false,
getConsPercGaps(), false));
}
package jalview.workers;
import jalview.analysis.AAFrequency;
-import jalview.analysis.Profile;
import jalview.api.AlignViewportI;
import jalview.api.AlignmentViewPanel;
import jalview.datamodel.AlignmentAnnotation;
import jalview.datamodel.AlignmentI;
import jalview.datamodel.Annotation;
+import jalview.datamodel.ProfileI;
import jalview.datamodel.SequenceI;
import jalview.schemes.ColourSchemeI;
*/
protected void computeConsensus(AlignmentI alignment)
{
- Profile[] hconsensus = new Profile[alignment.getWidth()];
+ ProfileI[] hconsensus = new ProfileI[alignment.getWidth()];
SequenceI[] aseqs = getSequences();
AAFrequency.calculate(aseqs, 0, alignment.getWidth(), hconsensus, true);
/**
* @param hconsensus
*/
- protected void setColourSchemeConsensus(Profile[] hconsensus)
+ protected void setColourSchemeConsensus(ProfileI[] hconsensus)
{
ColourSchemeI globalColourScheme = alignViewport
.getGlobalColourScheme();
public void updateResultAnnotation(boolean immediate)
{
AlignmentAnnotation consensus = getConsensusAnnotation();
- Profile[] hconsensus = (Profile[]) getViewportConsensus();
+ ProfileI[] hconsensus = (ProfileI[]) getViewportConsensus();
if (immediate || !calcMan.isWorking(this) && consensus != null
&& hconsensus != null)
{
* the computed consensus data
*/
protected void deriveConsensus(AlignmentAnnotation consensusAnnotation,
- Profile[] hconsensus)
+ ProfileI[] hconsensus)
{
long nseq = getSequences().length;
AAFrequency.completeConsensus(consensusAnnotation, hconsensus, 0,
}
try
{
- cons = Conservation.calculateConservation("All", 3,
+ cons = Conservation.calculateConservation("All",
alignment.getSequences(), 0, alWidth - 1, false,
ConsPercGaps, quality != null);
} catch (IndexOutOfBoundsException x)
import jalview.datamodel.AlignmentAnnotation;
import jalview.datamodel.Annotation;
+import jalview.datamodel.ProfileI;
import jalview.datamodel.Sequence;
import jalview.datamodel.SequenceI;
SequenceI seq3 = new Sequence("Seq3", "C---G");
SequenceI seq4 = new Sequence("Seq4", "CA--t");
SequenceI[] seqs = new SequenceI[] { seq1, seq2, seq3, seq4 };
- Profile[] result = new Profile[seq1.getLength()];
+ ProfileI[] result = new ProfileI[seq1.getLength()];
AAFrequency.calculate(seqs, 0, seq1.getLength(), result, false);
// col 0 is 100% C
- Profile col = result[0];
+ ProfileI col = result[0];
assertEquals(100f, col.getPercentageIdentity(false));
assertEquals(100f, col.getPercentageIdentity(true));
assertEquals(4, col.getMaxCount());
SequenceI seq3 = new Sequence("Seq3", "C--G");
SequenceI seq4 = new Sequence("Seq4", "CA-t");
SequenceI[] seqs = new SequenceI[] { seq1, seq2, seq3, seq4 };
- Profile[] result = new Profile[seq1.getLength()];
+ ProfileI[] result = new ProfileI[seq1.getLength()];
AAFrequency.calculate(seqs, 0, seq1.getLength(), result, true);
- Profile profile = result[0];
+ ProfileI profile = result[0];
assertEquals(4, profile.getCounts().getCount('C'));
assertEquals(4, profile.getHeight());
assertEquals(4, profile.getNonGapped());
SequenceI seq3 = new Sequence("Seq3", "C--G");
SequenceI seq4 = new Sequence("Seq4", "CA-t");
SequenceI[] seqs = new SequenceI[] { seq1, seq2, seq3, seq4 };
- Profile[] result = new Profile[seq1.getLength()];
+ ProfileI[] result = new ProfileI[seq1.getLength()];
// ensure class loaded and initialized
AAFrequency.calculate(seqs, 0, seq1.getLength(), result, true);
SequenceI seq3 = new Sequence("Seq3", "C---G");
SequenceI seq4 = new Sequence("Seq4", "CA--t");
SequenceI[] seqs = new SequenceI[] { seq1, seq2, seq3, seq4 };
- Profile[] profiles = new Profile[seq1.getLength()];
+ ProfileI[] profiles = new ProfileI[seq1.getLength()];
AAFrequency.calculate(seqs, 0, seq1.getLength(), profiles, true);
AlignmentAnnotation consensus = new AlignmentAnnotation("Consensus",
SequenceI seq3 = new Sequence("Seq3", "C---G");
SequenceI seq4 = new Sequence("Seq4", "CA--t");
SequenceI[] seqs = new SequenceI[] { seq1, seq2, seq3, seq4 };
- Profile[] profiles = new Profile[seq1.getLength()];
+ ProfileI[] profiles = new ProfileI[seq1.getLength()];
AAFrequency.calculate(seqs, 0, seq1.getLength(), profiles, true);
AlignmentAnnotation consensus = new AlignmentAnnotation("Consensus",
--- /dev/null
+package jalview.analysis;
+
+import static org.testng.Assert.assertEquals;
+import static org.testng.Assert.assertTrue;
+
+import jalview.datamodel.Sequence;
+import jalview.datamodel.SequenceI;
+
+import java.util.ArrayList;
+import java.util.HashMap;
+import java.util.List;
+import java.util.Map;
+
+import org.testng.annotations.Test;
+
+public class ConservationTest
+{
+ @Test(groups = "Functional")
+ public void testRecordConservation()
+ {
+ Map<String, Integer> resultMap = new HashMap<String, Integer>();
+
+ // V is hydrophobic, aliphatic, small
+ Conservation.recordConservation(resultMap, "V");
+ assertEquals(resultMap.get("hydrophobic").intValue(), 1);
+ assertEquals(resultMap.get("aliphatic").intValue(), 1);
+ assertEquals(resultMap.get("small").intValue(), 1);
+ assertEquals(resultMap.get("tiny").intValue(), 0);
+ assertEquals(resultMap.get("polar").intValue(), 0);
+ assertEquals(resultMap.get("charged").intValue(), 0);
+
+ // now add S: not hydrophobic, small, tiny, polar, not aliphatic
+ Conservation.recordConservation(resultMap, "s");
+ assertEquals(resultMap.get("hydrophobic").intValue(), -1);
+ assertEquals(resultMap.get("aliphatic").intValue(), -1);
+ assertEquals(resultMap.get("small").intValue(), 1);
+ assertEquals(resultMap.get("tiny").intValue(), -1);
+ assertEquals(resultMap.get("polar").intValue(), -1);
+ assertEquals(resultMap.get("charged").intValue(), 0);
+ }
+
+ @Test(groups = "Functional")
+ public void testCountConservationAndGaps()
+ {
+ List<SequenceI> seqs = new ArrayList<SequenceI>();
+ seqs.add(new Sequence("seq1", "VGnY")); // not case sensitive
+ seqs.add(new Sequence("seq2", "-G-y"));
+ seqs.add(new Sequence("seq3", "VG-Y"));
+ seqs.add(new Sequence("seq4", "VGNW"));
+
+ Conservation cons = new Conservation("", seqs, 0, 50);
+ int[] counts = cons.countConservationAndGaps(0);
+ assertEquals(counts[0], 1); // conserved
+ assertEquals(counts[1], 1); // gap count
+ counts = cons.countConservationAndGaps(1);
+ assertEquals(counts[0], 1);
+ assertEquals(counts[1], 0);
+ counts = cons.countConservationAndGaps(2);
+ assertEquals(counts[0], 1);
+ assertEquals(counts[1], 2);
+ counts = cons.countConservationAndGaps(3);
+ assertEquals(counts[0], 0); // not conserved
+ assertEquals(counts[1], 0);
+ }
+
+ @Test(groups = "Functional")
+ public void testCalculate_noThreshold()
+ {
+ List<SequenceI> seqs = new ArrayList<SequenceI>();
+ seqs.add(new Sequence("seq1", "VGIV-N"));
+ seqs.add(new Sequence("seq2", "V-iL-N")); // not case sensitive
+ seqs.add(new Sequence("seq3", "V-IW-N"));
+ seqs.add(new Sequence("seq4", "VGLH-L"));
+
+ Conservation cons = new Conservation("", 0, seqs, 0, 5);
+ cons.calculate();
+
+ /*
+ * column 0: all V (hydrophobic/aliphatic/small)
+ */
+ Map<String, Integer> colCons = cons.total[0];
+ assertEquals(colCons.get("hydrophobic").intValue(), 1);
+ assertEquals(colCons.get("aliphatic").intValue(), 1);
+ assertEquals(colCons.get("small").intValue(), 1);
+ assertEquals(colCons.get("tiny").intValue(), 0);
+ assertEquals(colCons.get("proline").intValue(), 0);
+ assertEquals(colCons.get("charged").intValue(), 0);
+ assertEquals(colCons.get("negative").intValue(), 0);
+ assertEquals(colCons.get("polar").intValue(), 0);
+ assertEquals(colCons.get("positive").intValue(), 0);
+ assertEquals(colCons.get("aromatic").intValue(), 0);
+
+ /*
+ * column 1: all G (hydrophobic/small/tiny)
+ * gaps take default value of property present
+ */
+ colCons = cons.total[1];
+ assertEquals(colCons.get("hydrophobic").intValue(), 1);
+ assertEquals(colCons.get("aliphatic").intValue(), -1);
+ assertEquals(colCons.get("small").intValue(), 1);
+ assertEquals(colCons.get("tiny").intValue(), 1);
+ assertEquals(colCons.get("proline").intValue(), -1);
+ assertEquals(colCons.get("charged").intValue(), -1);
+ assertEquals(colCons.get("negative").intValue(), -1);
+ assertEquals(colCons.get("polar").intValue(), -1);
+ assertEquals(colCons.get("positive").intValue(), -1);
+ assertEquals(colCons.get("aromatic").intValue(), -1);
+
+ /*
+ * column 2: I/L (aliphatic/hydrophobic), all others negatively conserved
+ */
+ colCons = cons.total[2];
+ assertEquals(colCons.get("hydrophobic").intValue(), 1);
+ assertEquals(colCons.get("aliphatic").intValue(), 1);
+ assertEquals(colCons.get("small").intValue(), 0);
+ assertEquals(colCons.get("tiny").intValue(), 0);
+ assertEquals(colCons.get("proline").intValue(), 0);
+ assertEquals(colCons.get("charged").intValue(), 0);
+ assertEquals(colCons.get("negative").intValue(), 0);
+ assertEquals(colCons.get("polar").intValue(), 0);
+ assertEquals(colCons.get("positive").intValue(), 0);
+ assertEquals(colCons.get("aromatic").intValue(), 0);
+
+ /*
+ * column 3: VLWH all hydrophobic, none is tiny, negative or proline
+ */
+ colCons = cons.total[3];
+ assertEquals(colCons.get("hydrophobic").intValue(), 1);
+ assertEquals(colCons.get("aliphatic").intValue(), -1);
+ assertEquals(colCons.get("small").intValue(), -1);
+ assertEquals(colCons.get("tiny").intValue(), 0);
+ assertEquals(colCons.get("proline").intValue(), 0);
+ assertEquals(colCons.get("charged").intValue(), -1);
+ assertEquals(colCons.get("negative").intValue(), 0);
+ assertEquals(colCons.get("polar").intValue(), -1);
+ assertEquals(colCons.get("positive").intValue(), -1);
+ assertEquals(colCons.get("aromatic").intValue(), -1);
+
+ /*
+ * column 4: all gaps - counted as having all properties
+ */
+ colCons = cons.total[4];
+ assertEquals(colCons.get("hydrophobic").intValue(), 1);
+ assertEquals(colCons.get("aliphatic").intValue(), 1);
+ assertEquals(colCons.get("small").intValue(), 1);
+ assertEquals(colCons.get("tiny").intValue(), 1);
+ assertEquals(colCons.get("proline").intValue(), 1);
+ assertEquals(colCons.get("charged").intValue(), 1);
+ assertEquals(colCons.get("negative").intValue(), 1);
+ assertEquals(colCons.get("polar").intValue(), 1);
+ assertEquals(colCons.get("positive").intValue(), 1);
+ assertEquals(colCons.get("aromatic").intValue(), 1);
+
+ /*
+ * column 5: N (small polar) and L (aliphatic hydrophobic)
+ * have nothing in common!
+ */
+ colCons = cons.total[5];
+ assertEquals(colCons.get("hydrophobic").intValue(), -1);
+ assertEquals(colCons.get("aliphatic").intValue(), -1);
+ assertEquals(colCons.get("small").intValue(), -1);
+ assertEquals(colCons.get("tiny").intValue(), 0);
+ assertEquals(colCons.get("proline").intValue(), 0);
+ assertEquals(colCons.get("charged").intValue(), 0);
+ assertEquals(colCons.get("negative").intValue(), 0);
+ assertEquals(colCons.get("polar").intValue(), -1);
+ assertEquals(colCons.get("positive").intValue(), 0);
+ assertEquals(colCons.get("aromatic").intValue(), 0);
+ }
+
+ /**
+ * Test for the case whether the number of non-gapped sequences in a column
+ * has to be above a threshold
+ */
+ @Test(groups = "Functional")
+ public void testCalculate_threshold()
+ {
+ List<SequenceI> seqs = new ArrayList<SequenceI>();
+ seqs.add(new Sequence("seq1", "VGIV-"));
+ seqs.add(new Sequence("seq2", "V-iL-")); // not case sensitive
+ seqs.add(new Sequence("seq3", "V-IW-"));
+ seqs.add(new Sequence("seq4", "VGLH-"));
+ seqs.add(new Sequence("seq5", "VGLH-"));
+
+ /*
+ * threshold 50% means a residue has to occur 3 or more times
+ * in a column to be counted for conservation
+ */
+ // TODO: ConservationThread uses a value of 3
+ // calculateConservation states it is the minimum number of sequences
+ // but it is treated as percentage threshold in calculate() ?
+ Conservation cons = new Conservation("", 50, seqs, 0, 4);
+ cons.calculate();
+
+ /*
+ * column 0: all V (hydrophobic/aliphatic/small)
+ */
+ Map<String, Integer> colCons = cons.total[0];
+ assertEquals(colCons.get("hydrophobic").intValue(), 1);
+ assertEquals(colCons.get("aliphatic").intValue(), 1);
+ assertEquals(colCons.get("small").intValue(), 1);
+ assertEquals(colCons.get("tiny").intValue(), 0);
+ assertEquals(colCons.get("proline").intValue(), 0);
+ assertEquals(colCons.get("charged").intValue(), 0);
+ assertEquals(colCons.get("negative").intValue(), 0);
+ assertEquals(colCons.get("polar").intValue(), 0);
+ assertEquals(colCons.get("positive").intValue(), 0);
+ assertEquals(colCons.get("aromatic").intValue(), 0);
+
+ /*
+ * column 1: all G (hydrophobic/small/tiny)
+ * gaps are ignored as not above threshold
+ */
+ colCons = cons.total[1];
+ assertEquals(colCons.get("hydrophobic").intValue(), 1);
+ assertEquals(colCons.get("aliphatic").intValue(), 0);
+ assertEquals(colCons.get("small").intValue(), 1);
+ assertEquals(colCons.get("tiny").intValue(), 1);
+ assertEquals(colCons.get("proline").intValue(), 0);
+ assertEquals(colCons.get("charged").intValue(), 0);
+ assertEquals(colCons.get("negative").intValue(), 0);
+ assertEquals(colCons.get("polar").intValue(), 0);
+ assertEquals(colCons.get("positive").intValue(), 0);
+ assertEquals(colCons.get("aromatic").intValue(), 0);
+
+ /*
+ * column 2: I/L (aliphatic/hydrophobic), all others negatively conserved
+ */
+ colCons = cons.total[2];
+ assertEquals(colCons.get("hydrophobic").intValue(), 1);
+ assertEquals(colCons.get("aliphatic").intValue(), 1);
+ assertEquals(colCons.get("small").intValue(), 0);
+ assertEquals(colCons.get("tiny").intValue(), 0);
+ assertEquals(colCons.get("proline").intValue(), 0);
+ assertEquals(colCons.get("charged").intValue(), 0);
+ assertEquals(colCons.get("negative").intValue(), 0);
+ assertEquals(colCons.get("polar").intValue(), 0);
+ assertEquals(colCons.get("positive").intValue(), 0);
+ assertEquals(colCons.get("aromatic").intValue(), 0);
+
+ /*
+ * column 3: nothing above threshold
+ */
+ colCons = cons.total[3];
+ assertTrue(colCons.isEmpty());
+
+ /*
+ * column 4: all gaps - counted as having all properties
+ */
+ colCons = cons.total[4];
+ assertEquals(colCons.get("hydrophobic").intValue(), 1);
+ assertEquals(colCons.get("aliphatic").intValue(), 1);
+ assertEquals(colCons.get("small").intValue(), 1);
+ assertEquals(colCons.get("tiny").intValue(), 1);
+ assertEquals(colCons.get("proline").intValue(), 1);
+ assertEquals(colCons.get("charged").intValue(), 1);
+ assertEquals(colCons.get("negative").intValue(), 1);
+ assertEquals(colCons.get("polar").intValue(), 1);
+ assertEquals(colCons.get("positive").intValue(), 1);
+ assertEquals(colCons.get("aromatic").intValue(), 1);
+ }
+
+ /**
+ * Test the method that derives the conservation 'sequence' and the mouseover
+ * tooltips from the computed conservation
+ */
+ @Test(groups = "Functional")
+ public void testVerdict()
+ {
+ List<SequenceI> seqs = new ArrayList<SequenceI>();
+ seqs.add(new Sequence("seq1", "VGIVV-H"));
+ seqs.add(new Sequence("seq2", "VGILL-H"));
+ seqs.add(new Sequence("seq3", "VGIW--R"));
+ seqs.add(new Sequence("seq4", "VGLHH--"));
+ seqs.add(new Sequence("seq5", "VGLHH-R"));
+ seqs.add(new Sequence("seq6", "VGLHH--"));
+ seqs.add(new Sequence("seq7", "VGLHH-R"));
+ seqs.add(new Sequence("seq8", "VGLHH-R"));
+
+ // calculate with no threshold
+ Conservation cons = new Conservation("", 0, seqs, 0, 6);
+ cons.calculate();
+ // positive and negative conservation where <25% gaps in columns
+ cons.verdict(false, 25);
+
+ /*
+ * verify conservation 'sequence'
+ * cols 0 fully conserved and above threshold (*)
+ * col 2 properties fully conserved (+)
+ * col 3 VLWH 1 positively and 3 negatively conserved properties
+ * col 4 has 1 positively conserved property, but because gap contributes a
+ * 'positive' for all properties, no negative conservation is counted
+ * col 5 is all gaps
+ * col 6 has 25% gaps so fails threshold test
+ */
+ assertEquals(cons.getConsSequence().getSequenceAsString(), "**+41--");
+
+ /*
+ * verify tooltips; conserved properties are sorted alphabetically within
+ * positive followed by negative
+ */
+ assertEquals(
+ cons.getTooltip(0),
+ "aliphatic hydrophobic small !aromatic !charged !negative !polar !positive !proline !tiny");
+ assertEquals(
+ cons.getTooltip(1),
+ "hydrophobic small tiny !aliphatic !aromatic !charged !negative !polar !positive !proline");
+ assertEquals(
+ cons.getTooltip(2),
+ "aliphatic hydrophobic !aromatic !charged !negative !polar !positive !proline !small !tiny");
+ assertEquals(cons.getTooltip(3), "hydrophobic !negative !proline !tiny");
+ assertEquals(cons.getTooltip(4), "hydrophobic");
+ assertEquals(cons.getTooltip(5), "");
+ assertEquals(cons.getTooltip(6), "");
+ }
+}
-package jalview.analysis;
+package jalview.datamodel;
import static org.testng.Assert.assertEquals;
import static org.testng.Assert.assertFalse;
import static org.testng.Assert.assertTrue;
-import jalview.analysis.ResidueCount.SymbolCounts;
+import jalview.datamodel.ResidueCount.SymbolCounts;
import org.junit.Assert;
import org.testng.annotations.Test;
}
rc.add('F');
+ /*
+ * percentages are rounded (0.5 rounded up)
+ * 10/40 9/40 7/40 6/40 1/40
+ */
assertEquals(rc.getTooltip(40, 0),
- "P 25%; W 22%; C 17%; Q 17%; K 15%; F 2%");
+ "P 25%; W 23%; C 18%; Q 18%; K 15%; F 3%");
+ rc.add('Q');
+ /*
+ * 10/30 9/30 8/30 7/30 6/30 1/30
+ */
assertEquals(rc.getTooltip(30, 1),
- "P 33.3%; W 30.0%; C 23.3%; Q 23.3%; K 20.0%; F 3.3%");
+ "P 33.3%; W 30.0%; Q 26.7%; C 23.3%; K 20.0%; F 3.3%");
}
@Test(groups = "Functional")
import static org.testng.AssertJUnit.assertFalse;
import static org.testng.AssertJUnit.assertTrue;
-import jalview.analysis.Profile;
+import jalview.datamodel.Profile;
+import jalview.datamodel.ProfileI;
import java.awt.Color;
* SR-T
* SR-T
*/
- Profile[] profiles = new Profile[4];
+ ProfileI[] profiles = new ProfileI[4];
profiles[0] = new Profile(4, 0, 2, "AS");
profiles[1] = new Profile(4, 0, 4, "R");
profiles[2] = new Profile(4, 4, 0, "");
import java.util.Collections;
import java.util.List;
+import java.util.Map;
import org.testng.annotations.Test;
assertEquals('Q', ResidueProperties.getSingleCharacterCode("Gln"));
assertEquals('Q', ResidueProperties.getSingleCharacterCode("gln"));
}
+
+ @Test(groups = { "Functional" })
+ public void testPhysicoChemicalProperties()
+ {
+ checkProperty("aromatic", "FYWH-*");
+ checkProperty("aliphatic", "IVL-*");
+ checkProperty("tiny", "GAS-*");
+ checkProperty("small", "VCTGACSDNP-*");
+ checkProperty("charged", "HKRDE-*");
+ checkProperty("negative", "DE-*");
+ checkProperty("polar", "YWHRKTSNDEQ-*X");
+ checkProperty("positive", "HKR-*");
+ checkProperty("proline", "P-*");
+ checkProperty("hydrophobic", "MILVFYWHKCGAC-*X");
+ }
+
+ /**
+ * Verify that the residues in the list have the named property, and other
+ * residues do not
+ *
+ * @param property
+ * @param residues
+ */
+ void checkProperty(String property, String residues)
+ {
+ Map<String, Integer> props = ResidueProperties.propHash.get(property);
+
+ /*
+ * assert residues have the property (value 1 in lookup)
+ */
+ for (char res : residues.toCharArray())
+ {
+ assertEquals(res + " should be " + property, 1,
+ props.get(String.valueOf(res)).intValue());
+ }
+
+ /*
+ * assert other residues do not (value 0 in lookup)
+ */
+ for (String res : ResidueProperties.aa)
+ {
+ if (!residues.contains(res))
+ {
+ Integer propValue = props.get(String.valueOf(res));
+
+ if (propValue != null)
+ {
+ /*
+ * conservation calculation assigns unexpected symbols
+ * the same value as '-'; here we just check those which
+ * explicitly do not have the property
+ */
+ assertEquals(res + " should not be " + property, 0,
+ propValue.intValue());
+ }
+ }
+ }
+ }
}
public void testAppendPercentage()
{
StringBuilder sb = new StringBuilder();
- Format.appendPercentage(sb, 123.456f, 0);
+ Format.appendPercentage(sb, 123.436f, 0);
assertEquals(sb.toString(), "123");
sb.setLength(0);
- Format.appendPercentage(sb, 123.456f, 1);
+ Format.appendPercentage(sb, 123.536f, 0);
+ assertEquals(sb.toString(), "124");
+
+ sb.setLength(0);
+ Format.appendPercentage(sb, 799.536f, 0);
+ assertEquals(sb.toString(), "800");
+
+ sb.setLength(0);
+ Format.appendPercentage(sb, 123.436f, 1);
assertEquals(sb.toString(), "123.4");
sb.setLength(0);
- Format.appendPercentage(sb, 123.456f, 2);
- assertEquals(sb.toString(), "123.45");
+ Format.appendPercentage(sb, 123.436f, 2);
+ assertEquals(sb.toString(), "123.44");
sb.setLength(0);
- Format.appendPercentage(sb, 123.456f, 3);
- assertEquals(sb.toString(), "123.456");
+ Format.appendPercentage(sb, 123.436f, 3);
+ assertEquals(sb.toString(), "123.436");
sb.setLength(0);
- Format.appendPercentage(sb, 123.456f, 4);
- assertEquals(sb.toString(), "123.4560");
+ Format.appendPercentage(sb, 123.436f, 4);
+ assertEquals(sb.toString(), "123.4360");
+ }
+
+ @Test(groups = "Functional")
+ public void testForm_float()
+ {
+ Format f = new Format("%3.2f");
+ assertEquals(f.form(123f), "123.00");
+ assertEquals(f.form(123.1f), "123.10");
+ assertEquals(f.form(123.12f), "123.12");
+ assertEquals(f.form(123.124f), "123.12");
+ assertEquals(f.form(123.125f), "123.13");
+ assertEquals(f.form(123.126f), "123.13");
+
+ f = new Format("%3.0f");
+ assertEquals(f.form(123f), "123.");
+ assertEquals(f.form(12f), "12.");
+ assertEquals(f.form(123.4f), "123.");
+ assertEquals(f.form(123.5f), "124.");
+ assertEquals(f.form(123.6f), "124.");
+ assertEquals(f.form(129.6f), "130.");
+ }
+
+ @Test(groups = "Functional")
+ public void testRepeat()
+ {
+ assertEquals(Format.repeat('a', 3), "aaa");
+ assertEquals(Format.repeat('b', 0), "");
+ assertEquals(Format.repeat('c', -1), "");
}
}
git://source.jalview.org / jalview.git / commitdiff