/* * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$) * Copyright (C) $$Year-Rel$$ The Jalview Authors * * This file is part of Jalview. * * Jalview is free software: you can redistribute it and/or * modify it under the terms of the GNU General Public License * as published by the Free Software Foundation, either version 3 * of the License, or (at your option) any later version. * * Jalview is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty * of MERCHANTABILITY or FITNESS FOR A PARTICULAR * PURPOSE. See the GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with Jalview. If not, see . * The Jalview Authors are detailed in the 'AUTHORS' file. */ package jalview.util; import java.util.ArrayList; import java.util.List; import jalview.bin.Cache; import jalview.bin.Console; import jalview.datamodel.SequenceI; /** * Assorted methods for analysing or comparing sequences. */ public class Comparison { 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! * * @param ii * DOCUMENT ME! * @param jj * DOCUMENT ME! * * @return DOCUMENT ME! */ public static final float compare(SequenceI ii, SequenceI jj) { return Comparison.compare(ii, jj, 0, ii.getLength() - 1); } /** * this was supposed to be an ungapped pid calculation * * @param ii * SequenceI * @param jj * SequenceI * @param start * int * @param end * int * @return float */ 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 (Comparison.isGap(si.charAt(start + ilen))) { ilen--; } while (Comparison.isGap(sj.charAt(start + jlen))) { jlen--; } int match = 0; float pid = -1; if (ilen > jlen) { for (int j = 0; j < jlen; j++) { if (si.substring(start + j, start + j + 1) .equals(sj.substring(start + j, start + j + 1))) { match++; } } pid = (float) match / (float) ilen * 100; } else { for (int j = 0; j < jlen; j++) { if (si.substring(start + j, start + j + 1) .equals(sj.substring(start + j, start + j + 1))) { match++; } } pid = (float) match / (float) jlen * 100; } return pid; } /** * this is a gapped PID calculation * * @param s1 * SequenceI * @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 /** * @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); } /** * Calculate percent identity for a pair of sequences over a particular range, * with different options for ignoring gaps. * * @param seq1 * @param seq2 * @param start * - position in seqs * @param end * - position in seqs * @param wcGaps * - if true - gaps match any character, if false, do not match * anything * @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) { int s1len = seq1.length(); int s2len = seq2.length(); int len = Math.min(s1len, s2len); if (end < len) { len = end; } if (len < start) { start = len - 1; // we just use a single residue for the difference } int elen = len - start, bad = 0; char chr1; char chr2; boolean agap; for (int i = start; i < len; i++) { chr1 = seq1.charAt(i); chr2 = seq2.charAt(i); agap = isGap(chr1) || isGap(chr2); if ('a' <= chr1 && chr1 <= 'z') { // TO UPPERCASE !!! // Faster than toUpperCase chr1 -= caseShift; } if ('a' <= chr2 && chr2 <= 'z') { // TO UPPERCASE !!! // Faster than toUpperCase chr2 -= caseShift; } if (chr1 != chr2) { if (agap) { if (ungappedOnly) { elen--; } else if (!wcGaps) { bad++; } } else { bad++; } } } if (elen < 1) { return 0f; } return ((float) 100 * (elen - bad)) / elen; } /** * Answers true if the supplied character is a recognised gap character, else * false. Currently hard-coded to recognise '-', '-' or ' ' (hyphen / dot / * space). * * @param c * * @return */ public static final boolean isGap(char c) { return c == GAP_DASH || c == GAP_DOT || c == GAP_SPACE; } /** * 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) { 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++) { char c = seq.getCharAt(i); if (isNucleotide(c)) { ntCount++; } else if (!isGap(c)) { aaCount++; if (isN(c)) { nCount++; } else { if (isX(c)) { xCount++; } if (isNucleotideAmbiguity(c)) { ntaCount++; } } } } 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)) { 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; } } return na; } /** * Answers true if the character is one of aAcCgGtTuU * * @param c * @return */ public static boolean isNucleotide(char c) { return isNucleotide(c, false); } /** * 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; } 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 flattened = new ArrayList(); 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); } }