/*
- * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8.2b1)
- * Copyright (C) 2014 The Jalview Authors
+ * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$)
+ * Copyright (C) $$Year-Rel$$ The Jalview Authors
*
* This file is part of Jalview.
*
*/
package jalview.util;
-import jalview.datamodel.*;
+import java.util.ArrayList;
+import java.util.List;
+
+import jalview.bin.Cache;
+import jalview.bin.Console;
+import jalview.datamodel.SequenceI;
/**
- * DOCUMENT ME!
- *
- * @author $author$
- * @version $Revision$
+ * Assorted methods for analysing or comparing sequences.
*/
public class Comparison
{
- /** DOCUMENT ME!! */
- public static final String GapChars = " .-";
+ private static final int EIGHTY_FIVE = 85;
+
+ private static final int NUCLEOTIDE_COUNT_PERCENT;
+
+ private static final int NUCLEOTIDE_COUNT_LONG_SEQUENCE_AMBIGUITY_PERCENT;
+
+ private static final int NUCLEOTIDE_COUNT_SHORT_SEQUENCE;
+
+ private static final int NUCLEOTIDE_COUNT_VERY_SHORT_SEQUENCE;
+
+ private static final boolean NUCLEOTIDE_AMBIGUITY_DETECTION;
+
+ public static final char GAP_SPACE = ' ';
+
+ public static final char GAP_DOT = '.';
+
+ public static final char GAP_DASH = '-';
+
+ public static final String GapChars = new String(
+ new char[]
+ { GAP_SPACE, GAP_DOT, GAP_DASH });
+
+ static
+ {
+ // these options read only at start of session
+ NUCLEOTIDE_COUNT_PERCENT = Cache.getDefault("NUCLEOTIDE_COUNT_PERCENT",
+ 55);
+ NUCLEOTIDE_COUNT_LONG_SEQUENCE_AMBIGUITY_PERCENT = Cache.getDefault(
+ "NUCLEOTIDE_COUNT_LONG_SEQUENCE_AMBIGUITY_PERCENT", 95);
+ NUCLEOTIDE_COUNT_SHORT_SEQUENCE = Cache
+ .getDefault("NUCLEOTIDE_COUNT_SHORT", 100);
+ NUCLEOTIDE_COUNT_VERY_SHORT_SEQUENCE = Cache
+ .getDefault("NUCLEOTIDE_COUNT_VERY_SHORT", 4);
+ NUCLEOTIDE_AMBIGUITY_DETECTION = Cache
+ .getDefault("NUCLEOTIDE_AMBIGUITY_DETECTION", true);
+ }
/**
* DOCUMENT ME!
* int
* @return float
*/
- public static float compare(SequenceI ii, SequenceI jj, int start, int end)
+ public static float compare(SequenceI ii, SequenceI jj, int start,
+ int end)
{
String si = ii.getSequenceAsString();
String sj = jj.getSequenceAsString();
int ilen = si.length() - 1;
int jlen = sj.length() - 1;
- while (jalview.util.Comparison.isGap(si.charAt(start + ilen)))
+ while (Comparison.isGap(si.charAt(start + ilen)))
{
ilen--;
}
- while (jalview.util.Comparison.isGap(sj.charAt(start + jlen)))
+ while (Comparison.isGap(sj.charAt(start + jlen)))
{
jlen--;
}
- int count = 0;
int match = 0;
float pid = -1;
{
for (int j = 0; j < jlen; j++)
{
- if (si.substring(start + j, start + j + 1).equals(
- sj.substring(start + j, start + j + 1)))
+ if (si.substring(start + j, start + j + 1)
+ .equals(sj.substring(start + j, start + j + 1)))
{
match++;
}
-
- count++;
}
pid = (float) match / (float) ilen * 100;
{
for (int j = 0; j < jlen; j++)
{
- if (si.substring(start + j, start + j + 1).equals(
- sj.substring(start + j, start + j + 1)))
+ if (si.substring(start + j, start + j + 1)
+ .equals(sj.substring(start + j, start + j + 1)))
{
match++;
}
-
- count++;
}
pid = (float) match / (float) jlen * 100;
* @param s2
* SequenceI
* @return float
+ * @deprecated use PIDModel.computePID()
*/
+ @Deprecated
public final static float PID(String seq1, String seq2)
{
return PID(seq1, seq2, 0, seq1.length());
static final int caseShift = 'a' - 'A';
// Another pid with region specification
- public final static float PID(String seq1, String seq2, int start, int end)
+ /**
+ * @deprecated use PIDModel.computePID()
+ */
+ @Deprecated
+ public final static float PID(String seq1, String seq2, int start,
+ int end)
{
return PID(seq1, seq2, start, end, true, false);
}
* @param ungappedOnly
* - if true - only count PID over ungapped columns
* @return
+ * @deprecated use PIDModel.computePID()
*/
+ @Deprecated
public final static float PID(String seq1, String seq2, int start,
int end, boolean wcGaps, boolean ungappedOnly)
{
}
/**
- * DOCUMENT ME!
+ * Answers true if the supplied character is a recognised gap character, else
+ * false. Currently hard-coded to recognise '-', '-' or ' ' (hyphen / dot /
+ * space).
*
* @param c
- * DOCUMENT ME!
*
- * @return DOCUMENT ME!
+ * @return
*/
public static final boolean isGap(char c)
{
- return (c == '-' || c == '.' || c == ' ') ? true : false;
+ return c == GAP_DASH || c == GAP_DOT || c == GAP_SPACE;
}
- public static final boolean isNucleotide(SequenceI[] seqs)
+ /**
+ * Overloaded method signature to test whether a single sequence is nucleotide
+ * (that is, more than 85% CGTAUNX)
+ *
+ * @param seq
+ * @return
+ */
+ public static final boolean isNucleotide(SequenceI seq)
{
- int i = 0, iSize = seqs.length, j, jSize;
- float nt = 0, aa = 0;
- char c;
- while (i < iSize)
+ if (seq == null || seq.getLength() == 0)
+ {
+ return false;
+ }
+ long ntCount = 0; // nucleotide symbol count (does not include ntaCount)
+ long aaCount = 0; // non-nucleotide, non-gap symbol count (includes nCount
+ // and ntaCount)
+ long nCount = 0; // "Unknown" (N) symbol count
+ long xCount = 0; // Also used as "Unknown" (X) symbol count
+ long ntaCount = 0; // nucleotide ambiguity symbol count
+
+ int len = seq.getLength();
+ for (int i = 0; i < len; i++)
{
- jSize = seqs[i].getLength();
- for (j = 0; j < jSize; j++)
+ char c = seq.getCharAt(i);
+ if (isNucleotide(c))
+ {
+ ntCount++;
+ }
+ else if (!isGap(c))
{
- c = seqs[i].getCharAt(j);
- if ('a' <= c && c <= 'z')
+ aaCount++;
+ if (isN(c))
{
- c -= ('a' - 'A');
+ nCount++;
}
-
- if (c == 'A' || c == 'G' || c == 'C' || c == 'T' || c == 'U')
+ else
{
- nt++;
+ if (isX(c))
+ {
+ xCount++;
+ }
+ if (isNucleotideAmbiguity(c))
+ {
+ ntaCount++;
+ }
}
- else if (!jalview.util.Comparison.isGap(seqs[i].getCharAt(j)))
+ }
+ }
+ long allCount = ntCount + aaCount;
+
+ if (NUCLEOTIDE_AMBIGUITY_DETECTION)
+ {
+ Console.debug("Performing new nucleotide detection routine");
+ if (allCount > NUCLEOTIDE_COUNT_SHORT_SEQUENCE)
+ {
+ // a long sequence.
+ // check for at least 55% nucleotide, and nucleotide and ambiguity codes
+ // (including N) must make up 95%
+ return ntCount * 100 >= NUCLEOTIDE_COUNT_PERCENT * allCount
+ && 100 * (ntCount + nCount
+ + ntaCount) >= NUCLEOTIDE_COUNT_LONG_SEQUENCE_AMBIGUITY_PERCENT
+ * allCount;
+ }
+ else if (allCount > NUCLEOTIDE_COUNT_VERY_SHORT_SEQUENCE)
+ {
+ // a short sequence.
+ // check if a short sequence is at least 55% nucleotide and the rest of
+ // the symbols are all X or all N
+ if (ntCount * 100 >= NUCLEOTIDE_COUNT_PERCENT * allCount
+ && (nCount == aaCount || xCount == aaCount))
{
- aa++;
+ return true;
}
+
+ // a short sequence.
+ // check for at least x% nucleotide and all the rest nucleotide
+ // ambiguity codes (including N), where x slides from 75% for sequences
+ // of length 4 (i.e. only one non-nucleotide) to 55% for sequences of
+ // length 100
+ return myShortSequenceNucleotideProportionCount(ntCount, allCount)
+ && nCount + ntaCount == aaCount;
+ }
+ else
+ {
+ // a very short sequence. (<4)
+ // all bases must be nucleotide
+ return ntCount > 0 && ntCount == allCount;
+ }
+ }
+ else
+ {
+ Console.debug("Performing old nucleotide detection routine");
+ /*
+ * Check for nucleotide count > 85% of total count (in a form that evades
+ * int / float conversion or divide by zero).
+ */
+ if ((ntCount + nCount) * 100 > EIGHTY_FIVE * allCount)
+ {
+ return ntCount > 0; // all N is considered protein. Could use a
+ // threshold here too
+ }
+ }
+ return false;
+ }
+
+ protected static boolean myShortSequenceNucleotideProportionCount(
+ long ntCount, long allCount)
+ {
+ /**
+ * this method is valid only for NUCLEOTIDE_COUNT_VERY_SHORT_SEQUENCE <=
+ * allCount <= NUCLEOTIDE_COUNT_SHORT_SEQUENCE
+ */
+ // the following is a simplified integer version of:
+ //
+ // a := allCount # the number of bases in the sequence
+ // n : = ntCount # the number of definite nucleotide bases
+ // vs := NUCLEOTIDE_COUNT_VERY_SHORT_SEQUENCE
+ // s := NUCLEOTIDE_COUNT_SHORT_SEQUENCE
+ // lp := NUCLEOTIDE_COUNT_LOWER_PERCENT
+ // vsp := 1 - (1/a) # this is the proportion of required definite
+ // nucleotides
+ // # in a VERY_SHORT Sequence (4 bases).
+ // # This should be equivalent to all but one base in the sequence.
+ // p := (a - vs)/(s - vs) # proportion of the way between
+ // # VERY_SHORT and SHORT thresholds.
+ // tp := vsp + p * (lp/100 - vsp) # the proportion of definite nucleotides
+ // # required for this length of sequence.
+ // minNt := tp * a # the minimum number of definite nucleotide bases
+ // # required for this length of sequence.
+ //
+ // We are then essentially returning:
+ // # ntCount >= 55% of allCount and the rest are all nucleotide ambiguity:
+ // ntCount >= tp * allCount && nCount + ntaCount == aaCount
+ // but without going into float/double land
+ long LHS = 100 * allCount
+ * (NUCLEOTIDE_COUNT_SHORT_SEQUENCE
+ - NUCLEOTIDE_COUNT_VERY_SHORT_SEQUENCE)
+ * (ntCount - allCount + 1);
+ long RHS = allCount * (allCount - NUCLEOTIDE_COUNT_VERY_SHORT_SEQUENCE)
+ * (allCount * NUCLEOTIDE_COUNT_PERCENT - 100 * allCount + 100);
+ return LHS >= RHS;
+ }
+
+ /**
+ * Answers true if more than 85% of the sequence residues (ignoring gaps) are
+ * A, G, C, T or U, else false. This is just a heuristic guess and may give a
+ * wrong answer (as AGCT are also amino acid codes).
+ *
+ * @param seqs
+ * @return
+ */
+ public static final boolean isNucleotide(SequenceI[] seqs)
+ {
+ if (seqs == null)
+ {
+ return false;
+ }
+ // true if we have seen a nucleotide sequence
+ boolean na = false;
+ for (SequenceI seq : seqs)
+ {
+ if (seq == null)
+ {
+ continue;
+ }
+ na = true;
+ // TODO could possibly make an informed guess just from the first sequence
+ // to save a lengthy calculation
+ if (seq.isProtein())
+ {
+ // if even one looks like protein, the alignment is protein
+ return false;
}
- i++;
}
+ return na;
+ }
+
+ /**
+ * Answers true if the character is one of aAcCgGtTuU
+ *
+ * @param c
+ * @return
+ */
+ public static boolean isNucleotide(char c)
+ {
+ return isNucleotide(c, false);
+ }
- if ((nt / (nt + aa)) > 0.85f)
+ /**
+ * includeAmbiguity = true also includes Nucleotide Ambiguity codes
+ */
+ public static boolean isNucleotide(char c, boolean includeAmbiguity)
+ {
+ char C = Character.toUpperCase(c);
+ switch (C)
{
+ case 'A':
+ case 'C':
+ case 'G':
+ case 'T':
+ case 'U':
return true;
}
- else
+ if (includeAmbiguity)
+ {
+ boolean ambiguity = isNucleotideAmbiguity(C);
+ if (ambiguity)
+ return true;
+ }
+ return false;
+ }
+
+ /**
+ * Tests *only* nucleotide ambiguity codes (and not definite nucleotide codes)
+ */
+ public static boolean isNucleotideAmbiguity(char c)
+ {
+ switch (Character.toUpperCase(c))
+ {
+ case 'I':
+ case 'X':
+ case 'R':
+ case 'Y':
+ case 'W':
+ case 'S':
+ case 'M':
+ case 'K':
+ case 'B':
+ case 'H':
+ case 'D':
+ case 'V':
+ return true;
+ case 'N': // not counting N as nucleotide
+ }
+ return false;
+ }
+
+ public static boolean isN(char c)
+ {
+ return 'n' == Character.toLowerCase(c);
+ }
+
+ public static boolean isX(char c)
+ {
+ return 'x' == Character.toLowerCase(c);
+ }
+
+ /**
+ * Answers true if every character in the string is one of aAcCgGtTuU, or
+ * (optionally) a gap character (dot, dash, space), else false
+ *
+ * @param s
+ * @param allowGaps
+ * @return
+ */
+ public static boolean isNucleotideSequence(String s, boolean allowGaps)
+ {
+ return isNucleotideSequence(s, allowGaps, false);
+ }
+
+ public static boolean isNucleotideSequence(String s, boolean allowGaps,
+ boolean includeAmbiguous)
+ {
+ if (s == null)
{
return false;
}
+ for (int i = 0; i < s.length(); i++)
+ {
+ char c = s.charAt(i);
+ if (!isNucleotide(c, includeAmbiguous))
+ {
+ if (!allowGaps || !isGap(c))
+ {
+ return false;
+ }
+ }
+ }
+ return true;
+ }
+ /**
+ * Convenience overload of isNucleotide
+ *
+ * @param seqs
+ * @return
+ */
+ public static boolean isNucleotide(SequenceI[][] seqs)
+ {
+ if (seqs == null)
+ {
+ return false;
+ }
+ List<SequenceI> flattened = new ArrayList<SequenceI>();
+ for (SequenceI[] ss : seqs)
+ {
+ for (SequenceI s : ss)
+ {
+ flattened.add(s);
+ }
+ }
+ final SequenceI[] oneDArray = flattened
+ .toArray(new SequenceI[flattened.size()]);
+ return isNucleotide(oneDArray);
+ }
+
+ /**
+ * Compares two residues either case sensitively or case insensitively
+ * depending on the caseSensitive flag
+ *
+ * @param c1
+ * first char
+ * @param c2
+ * second char to compare with
+ * @param caseSensitive
+ * if true comparison will be case sensitive otherwise its not
+ * @return
+ */
+ public static boolean isSameResidue(char c1, char c2,
+ boolean caseSensitive)
+ {
+ return caseSensitive ? c1 == c2
+ : Character.toUpperCase(c1) == Character.toUpperCase(c2);
}
}
git://source.jalview.org / jalview.git / blobdiff