X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fdatamodel%2FSequence.java;h=d90c231aa9eeedb8c0e3f45c14b0233670a90beb;hb=37382e89e23d86a2e728c61899904dd97dd07298;hp=eceddf11607d4b5a05d8489a0a414313f7f157f5;hpb=22be3f466cd70cb03d5eae619ede8589ae69716a;p=jalview.git diff --git a/src/jalview/datamodel/Sequence.java b/src/jalview/datamodel/Sequence.java index eceddf1..d90c231 100755 --- a/src/jalview/datamodel/Sequence.java +++ b/src/jalview/datamodel/Sequence.java @@ -1,228 +1,625 @@ +/* +* Jalview - A Sequence Alignment Editor and Viewer +* Copyright (C) 2005 AM Waterhouse, J Procter, G Barton, M Clamp, S Searle +* +* This program 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 2 +* of the License, or (at your option) any later version. +* +* This program 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 this program; if not, write to the Free Software +* Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA +*/ package jalview.datamodel; -import jalview.analysis.*; import java.awt.*; + import java.util.*; -import MCview.*; +/** + * DOCUMENT ME! + * + * @author $author$ + * @version $Revision$ + */ public class Sequence implements SequenceI { - protected String name; - protected String sequence; - protected String description; - protected int start; - protected int end; - protected String displayId; - protected Color color = Color.white; - String pdbId; - PDBfile pdb; - - public int maxchain = -1; - public int pdbstart; - public int pdbend; - public int seqstart; - public int seqend; - - public Vector sequenceFeatures = new Vector(); - public void setSequenceFeatures(Vector v) - { - sequenceFeatures = v; - } - - public Vector getSequenceFeatures() - {return sequenceFeatures; } - - public void setPDBId(String id) - { - pdbId = id; - } - public String getPDBId() - { - return pdbId; - } - - public void setPDBfile(PDBfile pdb) - { - this.pdb = pdb; - int max = -10; - maxchain = -1; - - for (int i=0; i < pdb.chains.size(); i++) { - - System.out.println("PDB sequence = " + ((PDBChain)pdb.chains.elementAt(i)).sequence); - // Now lets compare the sequences to get - // the start and end points. - - - StringTokenizer str = new StringTokenizer(sequence, "."); - String newString = ""; - - while (str.hasMoreTokens()) { - newString += str.nextToken(); - } - // Align the sequence to the pdb - AlignSeq as = new AlignSeq(this,((PDBChain)pdb.chains.elementAt(i)).sequence,"pep"); - as.calcScoreMatrix(); - as.traceAlignment(); - as.printAlignment(); - - System.out.println("Score = " + as.maxscore); - if (as.maxscore > max) { - System.out.println("New max score"); - max = as.maxscore; - maxchain = i; - - pdbstart = as.seq2start; - pdbend = as.seq2end; - seqstart = as.seq1start - 1 ; - seqend = as.seq1end -1; - } - - System.out.println("PDB start/end " + pdbstart + " " + pdbend); - System.out.println("SEQ start/end " + seqstart + " " + seqend); - } - } - - public Sequence(String name, String sequence, int start, int end) - { - - this.name = name; - this.sequence = sequence; - this.start = start; - this.end = end; - - setDisplayId(); - - } - - public Sequence(String name,String sequence) { - this(name,sequence,1,sequence.length()); - } - public Sequence(SequenceI seq) { - this(seq.getName(),seq.getSequence(),seq.getStart(),seq.getEnd()); - } - public String getDisplayId() { - return displayId; - } - public void setDisplayId() { - displayId = name + "/" + start + "-" + end; - } - public void setName(String name) { - this.name = name; - setDisplayId(); - } - public String getName() { - return this.name; - } - public void setStart(int start) { - this.start = start; - setDisplayId(); - } - public int getStart() { - return this.start; - } - public void setEnd(int end) { - this.end = end; - setDisplayId(); - } - public int getEnd() { - return this.end; - } - public int getLength() { - return this.sequence.length(); - } - public void setSequence(String seq) { - this.sequence = seq; - } - public String getSequence() { - return this.sequence; - } - public String getSequence(int start,int end) { - return this.sequence.substring(start,end); - } - - public char getCharAt(int i) { - if (i < sequence.length()) { - return sequence.charAt(i); - } else { - return ' '; - } - } - public void setDescription(String desc) { - this.description = desc; - } - public String getDescription() { - return this.description; - } - - public int findIndex(int pos) { - // returns the alignment position for a residue - int j = start; - int i = 0; - - while (i< sequence.length() && j <= end && j <= pos) { - - char c = sequence.charAt(i); - - if (!jalview.util.Comparison.isGap((c))) - j++; - - i++; - } - if (j == end && j < pos) - return end+1; - else - return i; - - } - - public int findPosition(int i) { - // Returns the sequence position for an alignment position - int j = 0; - int pos = start; - - while (j < i) - { - char c = sequence.charAt(j); - - if (!jalview.util.Comparison.isGap((c))) - pos++; - - j++; - } - return pos; - } - public void deleteCharAt(int i) - { - StringBuffer sbuffer = new StringBuffer(sequence); - sbuffer.deleteCharAt(i); - sequence = sbuffer.toString(); - } - - public void insertCharAt(int i, char c) - { - insertCharAt(i,c,true); - } - - public void insertCharAt(int i,char c,boolean chop) { - - String tmp = new String(sequence); - - if (i < sequence.length()) { - sequence = tmp.substring(0,i) + String.valueOf(c) + tmp.substring(i); - } else { - sequence = tmp + String.valueOf(c); - } - - } - - public void setColor(Color c) { - this.color = c; - } - - public Color getColor() { - return color; - } + SequenceI datasetSequence; + String name; + String shortName; + String sequence; + String description; + int start; + int end; + Color color = Color.white; + Vector pdbIds; + String vamsasId; + Vector dbrefs; + + + /** DOCUMENT ME!! */ + public Vector sequenceFeatures = new Vector(); + + /** + * Creates a new Sequence object. + * + * @param name DOCUMENT ME! + * @param sequence DOCUMENT ME! + * @param start DOCUMENT ME! + * @param end DOCUMENT ME! + */ + public Sequence(String name, String sequence, int start, int end) + { + this.name = name; + parseId(); + + this.sequence = sequence; + this.start = start; + this.end = end; + + checkValidRange(); + } + + void parseId() + { + // Read in any DB refs first + StringTokenizer st = new StringTokenizer(name, "|"); + if(st.countTokens()<1) + { + shortName = name; + return; + } + + while (st.countTokens() > 1) + { + String a = st.nextToken(); + String b = st.nextToken(); + addDBRef(new DBRefEntry(a, "0", b)); + } + + if (st.hasMoreTokens()) + shortName = st.nextToken(); + + // Remove /start-end from sequence + if (shortName.indexOf("/") > 0) + { + st = new StringTokenizer(shortName, "/"); + String limits = null; + try + { + if (st.countTokens() == 2) + { + + shortName = st.nextToken(); + + limits = st.nextToken(); + + st = new StringTokenizer(limits, "-"); + + if (st.countTokens() == 2) + { + setStart(Integer.valueOf(st.nextToken()).intValue()); + setEnd(Integer.valueOf(st.nextToken()).intValue()); + } + } + + // If we're still in this loop, parsing of start and end was ok + // Therefore remove it from the sequence name + name = name.substring(0, name.indexOf("/")); + } + catch (NumberFormatException ex) + { + // Problem parsing sequence limits. Just add it back to the + // Id so we dont lose this info + shortName += "/" + limits; + } + } + + } + + void checkValidRange() + { + if (end < 1) + { + int endRes = 0; + char ch; + for (int j = 0; j < sequence.length(); j++) + { + ch = sequence.charAt(j); + if (!jalview.util.Comparison.isGap( (ch))) + { + endRes++; + } + } + if (endRes > 0) + { + endRes += start - 1; + } + + this.end = endRes; + } + + } + + /** + * Creates a new Sequence object. + * + * @param name DOCUMENT ME! + * @param sequence DOCUMENT ME! + */ + public Sequence(String name, String sequence) + { + this(name, sequence, 1, -1); + } + + /** + * Creates a new Sequence object. + * + * @param seq DOCUMENT ME! + */ + public Sequence(SequenceI seq) + { + this(seq.getName(), seq.getSequence(), seq.getStart(), seq.getEnd()); + } + + /** + * DOCUMENT ME! + * + * @param v DOCUMENT ME! + */ + public void setSequenceFeatures(Vector v) + { + sequenceFeatures = v; + } + + public void addSequenceFeature(SequenceFeature sf) + { + if(sequenceFeatures==null) + sequenceFeatures = new Vector(); + + sequenceFeatures.addElement(sf); + } + + /** + * DOCUMENT ME! + * + * @return DOCUMENT ME! + */ + public Vector getSequenceFeatures() + { + return sequenceFeatures; + } + + /** + * DOCUMENT ME! + * + * @param id DOCUMENT ME! + */ + public void setPDBId(Vector id) + { + pdbIds = id; + } + + /** + * DOCUMENT ME! + * + * @return DOCUMENT ME! + */ + public Vector getPDBId() + { + return pdbIds; + } + + /** + * DOCUMENT ME! + * + * @return DOCUMENT ME! + */ + public String getDisplayId(boolean dbref, boolean jvsuffix) + { + StringBuffer result = new StringBuffer(); + if (dbref && dbrefs != null) + { + for (int i = 0; i < dbrefs.size(); i++) + { + DBRefEntry entry = (DBRefEntry) dbrefs.elementAt(i); + result.append(entry.getSource() + "|" + entry.getAccessionId() + "|"); + } + } + + result.append(shortName); + + if (jvsuffix) + { + result.append("/" + start + "-" + end); + } + + return result.toString(); + } + + /** + * DOCUMENT ME! + * + * @param name DOCUMENT ME! + */ + public void setName(String name) + { + this.name = name; + this.parseId(); + } + + /** + * DOCUMENT ME! + * + * @return DOCUMENT ME! + */ + public String getName() + { + return this.name; + } + + /** + * DOCUMENT ME! + * + * @param start DOCUMENT ME! + */ + public void setStart(int start) + { + this.start = start; + } + + /** + * DOCUMENT ME! + * + * @return DOCUMENT ME! + */ + public int getStart() + { + return this.start; + } + + /** + * DOCUMENT ME! + * + * @param end DOCUMENT ME! + */ + public void setEnd(int end) + { + this.end = end; + } + + /** + * DOCUMENT ME! + * + * @return DOCUMENT ME! + */ + public int getEnd() + { + return this.end; + } + + /** + * DOCUMENT ME! + * + * @return DOCUMENT ME! + */ + public int getLength() + { + return this.sequence.length(); + } + + /** + * DOCUMENT ME! + * + * @param seq DOCUMENT ME! + */ + public void setSequence(String seq) + { + this.sequence = seq; + checkValidRange(); + } + + /** + * DOCUMENT ME! + * + * @return DOCUMENT ME! + */ + public String getSequence() + { + return this.sequence; + } + + /** + * DOCUMENT ME! + * + * @param start DOCUMENT ME! + * @param end DOCUMENT ME! + * + * @return DOCUMENT ME! + */ + public String getSequence(int start, int end) + { + // JBPNote - left to user to pad the result here (TODO:Decide on this policy) + if (start >= sequence.length()) + { + return ""; + } + + if (end >= sequence.length()) + { + end = sequence.length(); + } + + return this.sequence.substring(start, end); + } + + /** + * DOCUMENT ME! + * + * @param i DOCUMENT ME! + * + * @return DOCUMENT ME! + */ + public char getCharAt(int i) + { + if (i < sequence.length()) + { + return sequence.charAt(i); + } + else + { + return ' '; + } + } + + /** + * DOCUMENT ME! + * + * @param desc DOCUMENT ME! + */ + public void setDescription(String desc) + { + this.description = desc; + } + + /** + * DOCUMENT ME! + * + * @return DOCUMENT ME! + */ + public String getDescription() + { + return this.description; + } + + /** + * DOCUMENT ME! + * + * @param pos DOCUMENT ME! + * + * @return DOCUMENT ME! + */ + public int findIndex(int pos) + { + // returns the alignment position for a residue + int j = start; + int i = 0; + + while ((i < sequence.length()) && (j <= end) && (j <= pos)) + { + char c = sequence.charAt(i); + + if (!jalview.util.Comparison.isGap((c))) + { + j++; + } + + i++; + } + + if ((j == end) && (j < pos)) + { + return end + 1; + } + else + { + return i; + } + } + + /** + * DOCUMENT ME! + * + * @param i DOCUMENT ME! + * + * @return DOCUMENT ME! + */ + public int findPosition(int i) + { + // Returns the sequence position for an alignment position + int j = 0; + int pos = start; + + while ((j < i) && (j < sequence.length())) + { + char c = sequence.charAt(j); + + if (!jalview.util.Comparison.isGap((c))) + { + pos++; + } + + j++; + } + + return pos; + } + + /** + * DOCUMENT ME! + * + * @return DOCUMENT ME! + */ + public int[] gapMap() + { + // Returns an int array giving the position of each residue in the sequence in the alignment + String seq = jalview.analysis.AlignSeq.extractGaps("-. ", sequence); + int[] map = new int[seq.length()]; + int j = 0; + int p = 0; + + while (j < sequence.length()) + { + if (!jalview.util.Comparison.isGap(sequence.charAt(j))) + { + map[p++] = j; + } + + j++; + } + + return map; + } + + /** + * DOCUMENT ME! + * + * @param i DOCUMENT ME! + */ + public void deleteCharAt(int i) + { + if (i >= sequence.length()) + { + return; + } + + sequence = sequence.substring(0, i) + sequence.substring(i + 1); + } + + /** + * DOCUMENT ME! + * + * @param i DOCUMENT ME! + * @param j DOCUMENT ME! + */ + public void deleteChars(int i, int j) + { + if (i >= sequence.length()) + { + return; + } + + if (j >= sequence.length()) + { + sequence = sequence.substring(0, i); + } + else + { + sequence = sequence.substring(0, i) + sequence.substring(j); + } + } + + /** + * DOCUMENT ME! + * + * @param i DOCUMENT ME! + * @param c DOCUMENT ME! + */ + public void insertCharAt(int i, char c) + { + insertCharAt(i, c, true); + } + + /** + * DOCUMENT ME! + * + * @param i DOCUMENT ME! + * @param c DOCUMENT ME! + * @param chop DOCUMENT ME! + */ + public void insertCharAt(int i, char c, boolean chop) + { + String tmp = new String(sequence); + + if (i < sequence.length()) + { + sequence = tmp.substring(0, i) + String.valueOf(c) + + tmp.substring(i); + } + else + { + // JBPNote : padding char at end of sequence. We'll not get away with this when we insert residues, I bet! + char[] ch = new char[(1 + i) - sequence.length()]; + + for (int j = 0, k = ch.length; j < k; j++) + ch[j] = c; + + sequence = tmp + String.valueOf(ch); + } + } + + /** + * DOCUMENT ME! + * + * @param c DOCUMENT ME! + */ + public void setColor(Color c) + { + this.color = c; + } + + /** + * DOCUMENT ME! + * + * @return DOCUMENT ME! + */ + public Color getColor() + { + return color; + } + + public String getVamsasId() + { + return vamsasId; + } + + public void setVamsasId(String id) + { + vamsasId = id; + } + + public void setDBRef(Vector dbref) + { + dbrefs = dbref; + } + public Vector getDBRef() + { + return dbrefs; + } + + public void addDBRef(DBRefEntry entry) + { + if(dbrefs == null) + dbrefs = new Vector(); + + dbrefs.addElement(entry); + } + + public void setDatasetSequence(SequenceI seq) + { + datasetSequence = seq; + } + + public SequenceI getDatasetSequence() + { + return datasetSequence; + } }