/**
* Aligns two sequences by Needleman-Wunsch (global)
*
* @param s1 sequene #1 ({@link Read})
* @param s2 sequene #2 ({@link Read})
* @param matrix scoring matrix ({@link Matrix})
* @param o open gap penalty
* @param e extend gap penalty
* @return alignment object contains the two aligned sequences, the alignment score and alignment
* statistics
* @see Read
* @see Matrix
*/
public static Alignment align(Sequence s1, Sequence s2, Matrix matrix, float o, float e) {
float[][] scores = matrix.getScores();
Sequence _s1;
Sequence _s2;
/*
* Commented out this stupid sequence switching. Sequence 1 should STAY sequence 1!
*/
// if (s1.length() < s2.length()) {
// _s1 = s2;
// _s2 = s1;
// } else {
_s1 = s1;
_s2 = s2;
// }
int m = _s1.length() + 1;
int n = _s2.length() + 1;
byte[] pointers = new byte[m * n];
short[] lengths = new short[m * n];
// Initializes the element (0,0) of the traceback matrix to STOP.
pointers[0] = Directions.STOP;
// Initializes the boundaries of the traceback matrix.
for (int i = 1, k = n; i < m; i++, k += n) {
pointers[k] = Directions.UP;
lengths[k] = (short) i;
}
for (int j = 1; j < n; j++) {
pointers[j] = Directions.LEFT;
lengths[j] = (short) j;
}
Cell cell = construct(_s1, _s2, scores, o, e, pointers, lengths);
Alignment alignment = traceback(_s1, _s2, matrix, pointers, cell, lengths);
alignment.setMatrix(matrix);
alignment.setOpen(o);
alignment.setExtend(e);
alignment.setName1(_s1.getId());
alignment.setName2(_s2.getId());
alignment.setOriginalSequence1(_s1);
alignment.setOriginalSequence2(_s2);
return alignment;
}
static void read_data() {
shortest.length = Integer.MAX_VALUE;
longest.length = Integer.MIN_VALUE;
N = fio.nextInt();
M = fio.nextInt();
states = new Node[N];
FIRST = states[0] = new Node(0);
for (int i = 1; i < N; i++) states[i] = new Node(i);
Q = fio.nextInt() == 1;
fio.nextLine();
if (Q) read_automata_defined();
else read_automata_generated();
read_terminals();
}
static void solve_automata() {
for (Node state : states) {
if (!state.isTerminal) continue;
for (Node k : states) k.visited = false;
solve_automata_to(state);
if (FIRST.hasCycle) FINITE = false;
// post-solve for FINITE AUTOMATA
if (FINITE) {
if (FIRST.max.data == null) continue;
if (longest.length < FIRST.max.length) {
longest.length = FIRST.max.length;
longest.data = FIRST.max.data;
} else if (longest.length == FIRST.max.length
&& longest.data != null
&& FIRST.max.data.compareTo(longest.data) > 0) {
longest.data = FIRST.max.data;
}
}
// post-solve for INFINITE AUTOMATA
else {
if (FIRST.min.data == null) continue;
if (shortest.length > FIRST.min.length) {
shortest.length = FIRST.min.length;
shortest.data = FIRST.min.data;
} else if (shortest.length == FIRST.min.length
&& shortest.data != null
&& FIRST.min.data.compareTo(shortest.data) < 0) {
shortest.data = FIRST.min.data;
}
}
}
}
/**
* Returns the alignment of two sequences based on the passed array of pointers
*
* @param s1 sequence #1
* @param s2 sequence #2
* @param m scoring matrix
* @param pointers traceback matrix
* @param cell The cell where the traceback starts.
* @return {@link Alignment} with the two aligned sequences and alignment score.
* @see Cell
* @see Alignment
*/
private static Alignment traceback(
Sequence s1, Sequence s2, Matrix m, byte[] pointers, Cell cell, short[] lengths) {
logger.info("Started...");
char[] array1 = s1.toArray();
char[] array2 = s2.toArray();
float[][] scores = m.getScores();
Alignment alignment = new Alignment();
alignment.setScore(cell.getScore());
// maximum length after the aligned sequences
int maxlen = s1.length() + s2.length();
char[] reversed1 = new char[maxlen]; // reversed sequence #1
char[] reversed2 = new char[maxlen]; // reversed sequence #2
char[] reversed3 = new char[maxlen]; // reversed markup
int len1 = 0; // length of sequence #1 after alignment
int len2 = 0; // length of sequence #2 after alignment
int len3 = 0; // length of the markup line
int identity = 0; // count of identitcal pairs
int similarity = 0; // count of similar pairs
int gaps = 0; // count of gaps
char c1, c2;
int i = cell.getRow(); // traceback start row
int j = cell.getCol(); // traceback start col
int n = s2.length() + 1;
int row = i * n;
int a = s1.length() - 1;
int b = s2.length() - 1;
if (a - i > b - j) {
for (; a - i > b - j; a--) {
reversed1[len1++] = array1[a];
reversed2[len2++] = Alignment.GAP;
reversed3[len3++] = Markups.GAP;
gaps++;
}
for (; b > j - 1; a--, b--) {
c1 = array1[a];
c2 = array2[b];
reversed1[len1++] = c1;
reversed2[len2++] = c2;
if (c1 == c2) {
reversed3[len3++] = Markups.IDENTITY;
identity++;
similarity++;
} else if (scores[c1][c2] > 0) {
reversed3[len3++] = Markups.SIMILARITY;
similarity++;
} else {
reversed3[len3++] = Markups.MISMATCH;
}
}
} else {
for (; b - j > a - i; b--) {
reversed1[len1++] = Alignment.GAP;
reversed2[len2++] = array2[b];
reversed3[len3++] = Markups.GAP;
gaps++;
}
for (; a > i - 1; a--, b--) {
c1 = array1[a];
c2 = array2[b];
reversed1[len1++] = c1;
reversed2[len2++] = c2;
if (c1 == c2) {
reversed3[len3++] = Markups.IDENTITY;
identity++;
similarity++;
} else if (scores[c1][c2] > 0) {
reversed3[len3++] = Markups.SIMILARITY;
similarity++;
} else {
reversed3[len3++] = Markups.MISMATCH;
}
}
}
// Traceback flag, where true => continue and false => stop
boolean stillGoing = true;
while (stillGoing) {
int l = row + j;
switch (pointers[l]) {
case Directions.UP:
for (int k = 0, len = lengths[l]; k < len; k++) {
reversed1[len1++] = array1[--i];
reversed2[len2++] = Alignment.GAP;
reversed3[len3++] = Markups.GAP;
row -= n;
gaps++;
}
break;
case Directions.DIAGONAL:
c1 = array1[--i];
c2 = array2[--j];
reversed1[len1++] = c1;
reversed2[len2++] = c2;
row -= n;
if (c1 == c2) {
reversed3[len3++] = Markups.IDENTITY;
identity++;
similarity++;
} else if (scores[c1][c2] > 0) {
reversed3[len3++] = Markups.SIMILARITY;
similarity++;
} else {
reversed3[len3++] = Markups.MISMATCH;
}
break;
case Directions.LEFT:
for (int k = 0, len = lengths[l]; k < len; k++) {
reversed1[len1++] = Alignment.GAP;
reversed2[len2++] = array2[--j];
reversed3[len3++] = Markups.GAP;
gaps++;
}
break;
case Directions.STOP:
stillGoing = false;
}
}
alignment.setSequence1(reverse(reversed1, len1));
alignment.setStart1(i);
alignment.setSequence2(reverse(reversed2, len2));
alignment.setStart2(j);
alignment.setMarkupLine(reverse(reversed3, len3));
alignment.setIdentity(identity);
alignment.setGaps(gaps);
alignment.setSimilarity(similarity);
logger.info("Finished.");
return alignment;
}
/**
* Constructs directions matrix for the traceback.
*
* @param s1 sequence #1
* @param s2 sequence #2
* @param matrix scoring matrix
* @param o open gap penalty
* @param e extend gap penalty
* @param pointers traceback matrix
* @return The cell where the traceback starts.
*/
private static Cell construct(
Sequence s1,
Sequence s2,
float[][] matrix,
float o,
float e,
byte[] pointers,
short[] lengths) {
logger.info("Started...");
char[] a1 = s1.toArray();
char[] a2 = s2.toArray();
int m = s1.length() + 1; // number of rows in similarity matrix
int n = s2.length() + 1; // number of columns in similarity matrix
float[] v = new float[n];
float vDiagonal = 0; // Float.NEGATIVE_INFINITY; // best score in cell
float f = Float.NEGATIVE_INFINITY; // score from diagonal
float h = Float.NEGATIVE_INFINITY; // best score ending with gap from
// left
float[] g = new float[n]; // best score ending with gap from above
// Initialization of v and g
g[0] = Float.NEGATIVE_INFINITY;
for (int j = 1; j < n; j++) {
v[j] = 0; // -o - (j - 1) * e;
g[j] = Float.NEGATIVE_INFINITY;
}
int lengthOfHorizontalGap = 0;
int[] lengthOfVerticalGap = new int[n];
float similarityScore;
float maximumScore = Float.NEGATIVE_INFINITY;
int maxi = 0;
int maxj = 0;
// Fill the matrices
for (int i = 1, k = n; i < m; i++, k += n) { // for all rows
v[0] = -o - (i - 1) * e;
for (int j = 1, l = k + 1; j < n; j++, l++) { // for all columns
similarityScore = matrix[a1[i - 1]][a2[j - 1]];
f = vDiagonal + similarityScore; // from diagonal
// Which cell from the left?
if (h - e >= v[j - 1] - o) {
h -= e;
lengthOfHorizontalGap++;
} else {
h = v[j - 1] - o;
lengthOfHorizontalGap = 1;
}
// Which cell from above?
if (g[j] - e >= v[j] - o) {
g[j] = g[j] - e;
lengthOfVerticalGap[j] = lengthOfVerticalGap[j] + 1;
} else {
g[j] = v[j] - o;
lengthOfVerticalGap[j] = 1;
}
vDiagonal = v[j];
v[j] = maximum(f, g[j], h); // best one
if (v[j] > maximumScore) {
maximumScore = v[j];
maxi = i;
maxj = j;
}
// Determine the traceback direction
if (v[j] == f) {
pointers[l] = Directions.DIAGONAL;
} else if (v[j] == g[j]) {
pointers[l] = Directions.UP;
lengths[l] = (short) lengthOfVerticalGap[j];
} else if (v[j] == h) {
pointers[l] = Directions.LEFT;
lengths[l] = (short) lengthOfHorizontalGap;
}
} // loop columns
// Reset
h = Float.NEGATIVE_INFINITY;
vDiagonal = 0; // -o - (i - 1) * e;
lengthOfHorizontalGap = 0;
} // loop rows
Cell cell = new Cell();
cell.set(maxi, maxj, v[n - 1]);
logger.info("Finished.");
return cell;
}
private void dnaCommand(HttpServletRequest req, DazzleResponse resp, DazzleDataSource dds)
throws IOException, DataSourceException, ServletException, DazzleException {
DazzleReferenceSource drs = (DazzleReferenceSource) dds;
List segments = DazzleTools.getSegments(dds, req, resp);
if (segments.size() == 0) {
throw new DazzleException(
DASStatus.STATUS_BAD_COMMAND_ARGUMENTS, "No segments specified for dna command");
}
// Fetch and validate the requests.
Map segmentResults = new HashMap();
for (Iterator i = segments.iterator(); i.hasNext(); ) {
Segment seg = (Segment) i.next();
try {
Sequence seq = drs.getSequence(seg.getReference());
if (seq.getAlphabet() != DNATools.getDNA()) {
throw new DazzleException(
DASStatus.STATUS_SERVER_ERROR,
"Sequence " + seg.toString() + " is not in the DNA alphabet");
}
if (seg.isBounded()) {
if (seg.getMin() < 1 || seg.getMax() > seq.length()) {
throw new DazzleException(
DASStatus.STATUS_BAD_COORDS,
"Segment " + seg.toString() + " doesn't fit sequence of length " + seq.length());
}
}
segmentResults.put(seg, seq);
} catch (NoSuchElementException ex) {
throw new DazzleException(DASStatus.STATUS_BAD_REFERENCE, ex);
} catch (DataSourceException ex) {
throw new DazzleException(DASStatus.STATUS_SERVER_ERROR, ex);
}
}
//
// Looks okay -- generate the response document
//
XMLWriter xw = resp.startDasXML("DASDNA", "dasdna.dtd");
try {
xw.openTag("DASDNA");
for (Iterator i = segmentResults.entrySet().iterator(); i.hasNext(); ) {
Map.Entry me = (Map.Entry) i.next();
Segment seg = (Segment) me.getKey();
Sequence seq = (Sequence) me.getValue();
xw.openTag("SEQUENCE");
xw.attribute("id", seg.getReference());
xw.attribute("version", drs.getLandmarkVersion(seg.getReference()));
if (seg.isBounded()) {
xw.attribute("start", "" + seg.getStart());
xw.attribute("stop", "" + seg.getStop());
} else {
xw.attribute("start", "" + 1);
xw.attribute("stop", "" + seq.length());
}
SymbolList syms = seq;
if (seg.isBounded()) {
syms = syms.subList(seg.getMin(), seg.getMax());
}
if (seg.isInverted()) {
syms = DNATools.reverseComplement(syms);
}
xw.openTag("DNA");
xw.attribute("length", "" + syms.length());
for (int pos = 1; pos <= syms.length(); pos += 60) {
int maxPos = Math.min(syms.length(), pos + 59);
xw.println(syms.subStr(pos, maxPos));
}
xw.closeTag("DNA");
xw.closeTag("SEQUENCE");
}
xw.closeTag("DASDNA");
xw.close();
} catch (Exception ex) {
throw new DazzleException(ex, "Error writing DNA document");
}
}