/*
* 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.
*/
/*
* This extension was written by Benjamin Schuster-Boeckler at sanger.ac.uk
*/
package jalview.io;
import jalview.analysis.Rna;
import jalview.datamodel.AlignmentAnnotation;
import jalview.datamodel.AlignmentI;
import jalview.datamodel.Annotation;
import jalview.datamodel.DBRefEntry;
import jalview.datamodel.DBRefSource;
import jalview.datamodel.Mapping;
import jalview.datamodel.Sequence;
import jalview.datamodel.SequenceFeature;
import jalview.datamodel.SequenceI;
import jalview.schemes.ResidueProperties;
import jalview.util.Comparison;
import jalview.util.Format;
import jalview.util.MessageManager;
import java.io.BufferedReader;
import java.io.FileReader;
import java.io.IOException;
import java.util.ArrayList;
import java.util.Enumeration;
import java.util.HashMap;
import java.util.Hashtable;
import java.util.LinkedHashMap;
import java.util.List;
import java.util.Map;
import java.util.Map.Entry;
import java.util.Vector;
import com.stevesoft.pat.Regex;
import fr.orsay.lri.varna.exceptions.ExceptionUnmatchedClosingParentheses;
import fr.orsay.lri.varna.factories.RNAFactory;
import fr.orsay.lri.varna.models.rna.RNA;
// import org.apache.log4j.*;
/**
* This class is supposed to parse a Stockholm format file into Jalview There
* are TODOs in this class: we do not know what the database source and version
* is for the file when parsing the #GS= AC tag which associates accessions with
* sequences. Database references are also not parsed correctly: a separate
* reference string parser must be added to parse the database reference form
* into Jalview's local representation.
*
* @author bsb at sanger.ac.uk
* @author Natasha Shersnev (Dundee, UK) (Stockholm file writer)
* @author Lauren Lui (UCSC, USA) (RNA secondary structure annotation import as
* stockholm)
* @author Anne Menard (Paris, FR) (VARNA parsing of Stockholm file data)
* @version 0.3 + jalview mods
*
*/
public class StockholmFile extends AlignFile
{
private static final String ANNOTATION = "annotation";
private static final char UNDERSCORE = '_';
// private static final Regex OPEN_PAREN = new Regex("(<|\\[)", "(");
// private static final Regex CLOSE_PAREN = new Regex("(>|\\])", ")");
public static final Regex DETECT_BRACKETS = new Regex(
"(<|>|\\[|\\]|\\(|\\)|\\{|\\})");
/*
* lookup table of Stockholm 'feature' (annotation) types
* see http://sonnhammer.sbc.su.se/Stockholm.html
*/
private static Map featureTypes = null;
static
{
featureTypes = new HashMap<>();
featureTypes.put("SS", "Secondary Structure");
featureTypes.put("SA", "Surface Accessibility");
featureTypes.put("TM", "transmembrane");
featureTypes.put("PP", "Posterior Probability");
featureTypes.put("LI", "ligand binding");
featureTypes.put("AS", "active site");
featureTypes.put("IN", "intron");
featureTypes.put("IR", "interacting residue");
featureTypes.put("AC", "accession");
featureTypes.put("OS", "organism");
featureTypes.put("CL", "class");
featureTypes.put("DE", "description");
featureTypes.put("DR", "reference");
featureTypes.put("LO", "look");
featureTypes.put("RF", "Reference Positions");
}
private AlignmentI al;
public StockholmFile()
{
}
/**
* Creates a new StockholmFile object for output
*/
public StockholmFile(AlignmentI al)
{
this.al = al;
}
public StockholmFile(String inFile, DataSourceType type)
throws IOException
{
super(inFile, type);
}
public StockholmFile(FileParse source) throws IOException
{
super(source);
}
/**
* Answers the readable description for a (case-sensitive) annotation type
* code, for example "Reference Positions" for "RF". Returns the type code if
* no description is found.
*
* @param id
* @return
*/
public static String typeToDescription(String id)
{
if (featureTypes.containsKey(id))
{
return featureTypes.get(id);
}
System.err.println(
"Warning : Unknown Stockholm annotation type code " + id);
return id;
}
/**
* Answers the annotation type code for a (non-case-sensitive) readable
* description, for example "RF" for "Reference Positions" (or null if not
* found)
*
* @param description
* @return
*/
public static String descriptionToType(String description)
{
for (Entry entry : featureTypes.entrySet())
{
if (entry.getValue().equalsIgnoreCase(description))
{
return entry.getKey();
}
}
System.err.println(
"Warning : Unknown Stockholm annotation type: " + description);
return null;
}
@Override
public void initData()
{
super.initData();
}
/**
* Parse a file in Stockholm format into Jalview's data model using VARNA
*
* @throws IOException
* If there is an error with the input file
*/
public void parse_with_VARNA(java.io.File inFile) throws IOException
{
FileReader fr = null;
fr = new FileReader(inFile);
BufferedReader r = new BufferedReader(fr);
List result = null;
try
{
result = RNAFactory.loadSecStrStockholm(r);
} catch (ExceptionUnmatchedClosingParentheses umcp)
{
errormessage = "Unmatched parentheses in annotation. Aborting ("
+ umcp.getMessage() + ")";
throw new IOException(umcp);
}
// DEBUG System.out.println("this is the secondary scructure:"
// +result.size());
SequenceI[] seqs = new SequenceI[result.size()];
String id = null;
for (int i = 0; i < result.size(); i++)
{
// DEBUG System.err.println("Processing i'th sequence in Stockholm file")
RNA current = result.get(i);
String seq = current.getSeq();
String rna = current.getStructDBN(true);
// DEBUG System.out.println(seq);
// DEBUG System.err.println(rna);
int begin = 0;
int end = seq.length() - 1;
id = safeName(getDataName());
seqs[i] = new Sequence(id, seq, begin, end);
String[] annot = new String[rna.length()];
Annotation[] ann = new Annotation[rna.length()];
for (int j = 0; j < rna.length(); j++)
{
annot[j] = rna.substring(j, j + 1);
}
for (int k = 0; k < rna.length(); k++)
{
ann[k] = new Annotation(annot[k], "",
Rna.getRNASecStrucState(annot[k]).charAt(0), 0f);
}
AlignmentAnnotation align = new AlignmentAnnotation("Sec. str.",
current.getID(), ann);
seqs[i].addAlignmentAnnotation(align);
seqs[i].setRNA(result.get(i));
this.annotations.addElement(align);
}
this.setSeqs(seqs);
}
/**
* Parse a file in Stockholm format into Jalview's data model. The file has to
* be passed at construction time
*
* @throws IOException
* If there is an error with the input file
*/
@Override
public void parse() throws IOException
{
StringBuffer treeString = new StringBuffer();
String treeName = null;
// --------------- Variable Definitions -------------------
String line;
String version;
// String id;
Hashtable seqAnn = new Hashtable(); // Sequence related annotations
LinkedHashMap seqs = new LinkedHashMap<>();
Regex p, r, rend, s, x;
// Temporary line for processing RNA annotation
// String RNAannot = "";
// ------------------ Parsing File ----------------------
// First, we have to check that this file has STOCKHOLM format, i.e. the
// first line must match
r = new Regex("# STOCKHOLM ([\\d\\.]+)");
if (!r.search(nextLine()))
{
throw new IOException(MessageManager
.getString("exception.stockholm_invalid_format"));
}
else
{
version = r.stringMatched(1);
// logger.debug("Stockholm version: " + version);
}
// We define some Regexes here that will be used regularly later
rend = new Regex("^\\s*\\/\\/"); // Find the end of an alignment
p = new Regex("(\\S+)\\/(\\d+)\\-(\\d+)"); // split sequence id in
// id/from/to
s = new Regex("(\\S+)\\s+(\\S*)\\s+(.*)"); // Parses annotation subtype
r = new Regex("#=(G[FSRC]?)\\s+(.*)"); // Finds any annotation line
x = new Regex("(\\S+)\\s+(\\S+)"); // split id from sequence
// Convert all bracket types to parentheses (necessary for passing to VARNA)
Regex openparen = new Regex("(<|\\[)", "(");
Regex closeparen = new Regex("(>|\\])", ")");
// Detect if file is RNA by looking for bracket types
// Regex detectbrackets = new Regex("(<|>|\\[|\\]|\\(|\\))");
rend.optimize();
p.optimize();
s.optimize();
r.optimize();
x.optimize();
openparen.optimize();
closeparen.optimize();
while ((line = nextLine()) != null)
{
if (line.length() == 0)
{
continue;
}
if (rend.search(line))
{
// End of the alignment, pass stuff back
this.noSeqs = seqs.size();
String seqdb, dbsource = null;
Regex pf = new Regex("PF[0-9]{5}(.*)"); // Finds AC for Pfam
Regex rf = new Regex("RF[0-9]{5}(.*)"); // Finds AC for Rfam
if (getAlignmentProperty("AC") != null)
{
String dbType = getAlignmentProperty("AC").toString();
if (pf.search(dbType))
{
// PFAM Alignment - so references are typically from Uniprot
dbsource = "PFAM";
}
else if (rf.search(dbType))
{
dbsource = "RFAM";
}
}
// logger.debug("Number of sequences: " + this.noSeqs);
for (Map.Entry skey : seqs.entrySet())
{
// logger.debug("Processing sequence " + acc);
String acc = skey.getKey();
String seq = skey.getValue();
if (maxLength < seq.length())
{
maxLength = seq.length();
}
int start = 1;
int end = -1;
String sid = acc;
/*
* Retrieve hash of annotations for this accession Associate
* Annotation with accession
*/
Hashtable accAnnotations = null;
if (seqAnn != null && seqAnn.containsKey(acc))
{
accAnnotations = (Hashtable) seqAnn.remove(acc);
// TODO: add structures to sequence
}
// Split accession in id and from/to
if (p.search(acc))
{
sid = p.stringMatched(1);
start = Integer.parseInt(p.stringMatched(2));
end = Integer.parseInt(p.stringMatched(3));
}
// logger.debug(sid + ", " + start + ", " + end);
Sequence seqO = new Sequence(sid, seq, start, end);
// Add Description (if any)
if (accAnnotations != null && accAnnotations.containsKey("DE"))
{
String desc = (String) accAnnotations.get("DE");
seqO.setDescription((desc == null) ? "" : desc);
}
// Add DB References (if any)
if (accAnnotations != null && accAnnotations.containsKey("DR"))
{
String dbr = (String) accAnnotations.get("DR");
if (dbr != null && dbr.indexOf(";") > -1)
{
String src = dbr.substring(0, dbr.indexOf(";"));
String acn = dbr.substring(dbr.indexOf(";") + 1);
jalview.util.DBRefUtils.parseToDbRef(seqO, src, "0", acn);
}
}
if (accAnnotations != null && accAnnotations.containsKey("AC"))
{
if (dbsource != null)
{
String dbr = (String) accAnnotations.get("AC");
if (dbr != null)
{
// we could get very clever here - but for now - just try to
// guess accession type from source of alignment plus structure
// of accession
guessDatabaseFor(seqO, dbr, dbsource);
}
}
// else - do what ? add the data anyway and prompt the user to
// specify what references these are ?
}
Hashtable features = null;
// We need to adjust the positions of all features to account for gaps
try
{
features = (Hashtable) accAnnotations.remove("features");
} catch (java.lang.NullPointerException e)
{
// loggerwarn("Getting Features for " + acc + ": " +
// e.getMessage());
// continue;
}
// if we have features
if (features != null)
{
int posmap[] = seqO.findPositionMap();
Enumeration i = features.keys();
while (i.hasMoreElements())
{
// TODO: parse out secondary structure annotation as annotation
// row
// TODO: parse out scores as annotation row
// TODO: map coding region to core jalview feature types
String type = i.nextElement().toString();
Hashtable content = (Hashtable) features.remove(type);
// add alignment annotation for this feature
String key = descriptionToType(type);
/*
* have we added annotation rows for this type ?
*/
boolean annotsAdded = false;
if (key != null)
{
if (accAnnotations != null
&& accAnnotations.containsKey(key))
{
Vector vv = (Vector) accAnnotations.get(key);
for (int ii = 0; ii < vv.size(); ii++)
{
annotsAdded = true;
AlignmentAnnotation an = (AlignmentAnnotation) vv
.elementAt(ii);
seqO.addAlignmentAnnotation(an);
annotations.add(an);
}
}
}
Enumeration j = content.keys();
while (j.hasMoreElements())
{
String desc = j.nextElement().toString();
if (ANNOTATION.equals(desc) && annotsAdded)
{
// don't add features if we already added an annotation row
continue;
}
String ns = content.get(desc).toString();
char[] byChar = ns.toCharArray();
for (int k = 0; k < byChar.length; k++)
{
char c = byChar[k];
if (!(c == ' ' || c == '_' || c == '-' || c == '.')) // PFAM
// uses
// '.'
// for
// feature
// background
{
int new_pos = posmap[k]; // look up nearest seqeunce
// position to this column
SequenceFeature feat = new SequenceFeature(type, desc,
new_pos, new_pos, null);
seqO.addSequenceFeature(feat);
}
}
}
}
}
// garbage collect
// logger.debug("Adding seq " + acc + " from " + start + " to " + end
// + ": " + seq);
this.seqs.addElement(seqO);
}
return; // finished parsing this segment of source
}
else if (!r.search(line))
{
// System.err.println("Found sequence line: " + line);
// Split sequence in sequence and accession parts
if (!x.search(line))
{
// logger.error("Could not parse sequence line: " + line);
throw new IOException(MessageManager.formatMessage(
"exception.couldnt_parse_sequence_line", new String[]
{ line }));
}
String ns = seqs.get(x.stringMatched(1));
if (ns == null)
{
ns = "";
}
ns += x.stringMatched(2);
seqs.put(x.stringMatched(1), ns);
}
else
{
String annType = r.stringMatched(1);
String annContent = r.stringMatched(2);
// System.err.println("type:" + annType + " content: " + annContent);
if (annType.equals("GF"))
{
/*
* Generic per-File annotation, free text Magic features: #=GF NH
* #=GF TN Pfam descriptions: 7. DESCRIPTION OF FIELDS
*
* Compulsory fields: ------------------
*
* AC Accession number: Accession number in form PFxxxxx.version or
* PBxxxxxx. ID Identification: One word name for family. DE
* Definition: Short description of family. AU Author: Authors of the
* entry. SE Source of seed: The source suggesting the seed members
* belong to one family. GA Gathering method: Search threshold to
* build the full alignment. TC Trusted Cutoff: Lowest sequence score
* and domain score of match in the full alignment. NC Noise Cutoff:
* Highest sequence score and domain score of match not in full
* alignment. TP Type: Type of family -- presently Family, Domain,
* Motif or Repeat. SQ Sequence: Number of sequences in alignment. AM
* Alignment Method The order ls and fs hits are aligned to the model
* to build the full align. // End of alignment.
*
* Optional fields: ----------------
*
* DC Database Comment: Comment about database reference. DR Database
* Reference: Reference to external database. RC Reference Comment:
* Comment about literature reference. RN Reference Number: Reference
* Number. RM Reference Medline: Eight digit medline UI number. RT
* Reference Title: Reference Title. RA Reference Author: Reference
* Author RL Reference Location: Journal location. PI Previous
* identifier: Record of all previous ID lines. KW Keywords: Keywords.
* CC Comment: Comments. NE Pfam accession: Indicates a nested domain.
* NL Location: Location of nested domains - sequence ID, start and
* end of insert.
*
* Obsolete fields: ----------- AL Alignment method of seed: The
* method used to align the seed members.
*/
// Let's save the annotations, maybe we'll be able to do something
// with them later...
Regex an = new Regex("(\\w+)\\s*(.*)");
if (an.search(annContent))
{
if (an.stringMatched(1).equals("NH"))
{
treeString.append(an.stringMatched(2));
}
else if (an.stringMatched(1).equals("TN"))
{
if (treeString.length() > 0)
{
if (treeName == null)
{
treeName = "Tree " + (getTreeCount() + 1);
}
addNewickTree(treeName, treeString.toString());
}
treeName = an.stringMatched(2);
treeString = new StringBuffer();
}
setAlignmentProperty(an.stringMatched(1), an.stringMatched(2));
}
}
else if (annType.equals("GS"))
{
// Generic per-Sequence annotation, free text
/*
* Pfam uses these features: Feature Description ---------------------
* ----------- AC ACcession number DE
* DEscription DR ; ; Database Reference OS
* OrganiSm (species) OC Organism Classification (clade, etc.)
* LO Look (Color, etc.)
*/
if (s.search(annContent))
{
String acc = s.stringMatched(1);
String type = s.stringMatched(2);
String content = s.stringMatched(3);
// TODO: store DR in a vector.
// TODO: store AC according to generic file db annotation.
Hashtable ann;
if (seqAnn.containsKey(acc))
{
ann = (Hashtable) seqAnn.get(acc);
}
else
{
ann = new Hashtable();
}
ann.put(type, content);
seqAnn.put(acc, ann);
}
else
{
// throw new IOException("Error parsing " + line);
System.err.println(">> missing annotation: " + line);
}
}
else if (annType.equals("GC"))
{
// Generic per-Column annotation, exactly 1 char per column
// always need a label.
if (x.search(annContent))
{
// parse out and create alignment annotation directly.
parseAnnotationRow(annotations, x.stringMatched(1),
x.stringMatched(2));
}
}
else if (annType.equals("GR"))
{
// Generic per-Sequence AND per-Column markup, exactly 1 char per
// column
/*
* Feature Description Markup letters ------- -----------
* -------------- SS Secondary Structure [HGIEBTSCX] SA Surface
* Accessibility [0-9X] (0=0%-10%; ...; 9=90%-100%) TM TransMembrane
* [Mio] PP Posterior Probability [0-9*] (0=0.00-0.05; 1=0.05-0.15;
* *=0.95-1.00) LI LIgand binding [*] AS Active Site [*] IN INtron (in
* or after) [0-2]
*/
if (s.search(annContent))
{
String acc = s.stringMatched(1);
String type = s.stringMatched(2);
String oseq = s.stringMatched(3);
/*
* copy of annotation field that may be processed into whitespace chunks
*/
String seq = new String(oseq);
Hashtable ann;
// Get an object with all the annotations for this sequence
if (seqAnn.containsKey(acc))
{
// logger.debug("Found annotations for " + acc);
ann = (Hashtable) seqAnn.get(acc);
}
else
{
// logger.debug("Creating new annotations holder for " + acc);
ann = new Hashtable();
seqAnn.put(acc, ann);
}
// // start of block for appending annotation lines for wrapped
// stokchholm file
// TODO test structure, call parseAnnotationRow with vector from
// hashtable for specific sequence
Hashtable features;
// Get an object with all the content for an annotation
if (ann.containsKey("features"))
{
// logger.debug("Found features for " + acc);
features = (Hashtable) ann.get("features");
}
else
{
// logger.debug("Creating new features holder for " + acc);
features = new Hashtable();
ann.put("features", features);
}
Hashtable content;
if (features.containsKey(StockholmFile.typeToDescription(type)))
{
// logger.debug("Found content for " + this.id2type(type));
content = (Hashtable) features
.get(StockholmFile.typeToDescription(type));
}
else
{
// logger.debug("Creating new content holder for " +
// this.id2type(type));
content = new Hashtable();
features.put(StockholmFile.typeToDescription(type), content);
}
String ns = (String) content.get(ANNOTATION);
if (ns == null)
{
ns = "";
}
// finally, append the annotation line
ns += seq;
content.put(ANNOTATION, ns);
// // end of wrapped annotation block.
// // Now a new row is created with the current set of data
Hashtable strucAnn;
if (seqAnn.containsKey(acc))
{
strucAnn = (Hashtable) seqAnn.get(acc);
}
else
{
strucAnn = new Hashtable();
}
Vector newStruc = new Vector<>();
parseAnnotationRow(newStruc, type, ns);
for (AlignmentAnnotation alan : newStruc)
{
alan.visible = false;
}
// new annotation overwrites any existing annotation...
strucAnn.put(type, newStruc);
seqAnn.put(acc, strucAnn);
}
// }
else
{
System.err.println(
"Warning - couldn't parse sequence annotation row line:\n"
+ line);
// throw new IOException("Error parsing " + line);
}
}
else
{
throw new IOException(MessageManager.formatMessage(
"exception.unknown_annotation_detected", new String[]
{ annType, annContent }));
}
}
}
if (treeString.length() > 0)
{
if (treeName == null)
{
treeName = "Tree " + (1 + getTreeCount());
}
addNewickTree(treeName, treeString.toString());
}
}
/**
* Demangle an accession string and guess the originating sequence database
* for a given sequence
*
* @param seqO
* sequence to be annotated
* @param dbr
* Accession string for sequence
* @param dbsource
* source database for alignment (PFAM or RFAM)
*/
private void guessDatabaseFor(Sequence seqO, String dbr, String dbsource)
{
DBRefEntry dbrf = null;
List dbrs = new ArrayList<>();
String seqdb = "Unknown", sdbac = "" + dbr;
int st = -1, en = -1, p;
if ((st = sdbac.indexOf("/")) > -1)
{
String num, range = sdbac.substring(st + 1);
sdbac = sdbac.substring(0, st);
if ((p = range.indexOf("-")) > -1)
{
p++;
if (p < range.length())
{
num = range.substring(p).trim();
try
{
en = Integer.parseInt(num);
} catch (NumberFormatException x)
{
// could warn here that index is invalid
en = -1;
}
}
}
else
{
p = range.length();
}
num = range.substring(0, p).trim();
try
{
st = Integer.parseInt(num);
} catch (NumberFormatException x)
{
// could warn here that index is invalid
st = -1;
}
}
if (dbsource.equals("PFAM"))
{
seqdb = "UNIPROT";
if (sdbac.indexOf(".") > -1)
{
// strip of last subdomain
sdbac = sdbac.substring(0, sdbac.indexOf("."));
dbrf = jalview.util.DBRefUtils.parseToDbRef(seqO, seqdb, dbsource,
sdbac);
if (dbrf != null)
{
dbrs.add(dbrf);
}
}
dbrf = jalview.util.DBRefUtils.parseToDbRef(seqO, dbsource, dbsource,
dbr);
if (dbr != null)
{
dbrs.add(dbrf);
}
}
else
{
seqdb = "EMBL"; // total guess - could be ENA, or something else these
// days
if (sdbac.indexOf(".") > -1)
{
// strip off last subdomain
sdbac = sdbac.substring(0, sdbac.indexOf("."));
dbrf = jalview.util.DBRefUtils.parseToDbRef(seqO, seqdb, dbsource,
sdbac);
if (dbrf != null)
{
dbrs.add(dbrf);
}
}
dbrf = jalview.util.DBRefUtils.parseToDbRef(seqO, dbsource, dbsource,
dbr);
if (dbrf != null)
{
dbrs.add(dbrf);
}
}
if (st != -1 && en != -1)
{
for (DBRefEntry d : dbrs)
{
jalview.util.MapList mp = new jalview.util.MapList(
new int[]
{ seqO.getStart(), seqO.getEnd() }, new int[] { st, en }, 1,
1);
jalview.datamodel.Mapping mping = new Mapping(mp);
d.setMap(mping);
}
}
}
protected static AlignmentAnnotation parseAnnotationRow(
Vector annotation, String label,
String annots)
{
// String convert1 = OPEN_PAREN.replaceAll(annots);
// String convert2 = CLOSE_PAREN.replaceAll(convert1);
// annots = convert2;
String type = label;
if (label.contains("_cons"))
{
type = (label.indexOf("_cons") == label.length() - 5)
? label.substring(0, label.length() - 5)
: label;
}
boolean ss = false, posterior = false;
type = typeToDescription(type);
if (type.equalsIgnoreCase("secondary structure"))
{
ss = true;
}
if (type.equalsIgnoreCase("posterior probability"))
{
posterior = true;
}
// decide on secondary structure or not.
Annotation[] els = new Annotation[annots.length()];
for (int i = 0; i < annots.length(); i++)
{
String pos = annots.substring(i, i + 1);
if (UNDERSCORE == pos.charAt(0))
{
pos = " ";
}
Annotation ann;
ann = new Annotation(pos, "", ' ', 0f); // 0f is 'valid' null - will not
// be written out
if (ss)
{
// if (" .-_".indexOf(pos) == -1)
{
if (DETECT_BRACKETS.search(pos))
{
ann.secondaryStructure = Rna.getRNASecStrucState(pos).charAt(0);
ann.displayCharacter = "" + pos.charAt(0);
}
else
{
ann.secondaryStructure = ResidueProperties.getDssp3state(pos)
.charAt(0);
if (ann.secondaryStructure == pos.charAt(0))
{
ann.displayCharacter = ""; // null; // " ";
}
else
{
ann.displayCharacter = " " + ann.displayCharacter;
}
}
}
}
if (posterior && !ann.isWhitespace()
&& !Comparison.isGap(pos.charAt(0)))
{
float val = 0;
// symbol encodes values - 0..*==0..10
if (pos.charAt(0) == '*')
{
val = 10;
}
else
{
val = pos.charAt(0) - '0';
if (val > 9)
{
val = 10;
}
}
ann.value = val;
}
els[i] = ann;
}
AlignmentAnnotation annot = null;
Enumeration e = annotation.elements();
while (e.hasMoreElements())
{
annot = e.nextElement();
if (annot.label.equals(type))
{
break;
}
annot = null;
}
if (annot == null)
{
annot = new AlignmentAnnotation(type, type, els);
annotation.addElement(annot);
}
else
{
Annotation[] anns = new Annotation[annot.annotations.length
+ els.length];
System.arraycopy(annot.annotations, 0, anns, 0,
annot.annotations.length);
System.arraycopy(els, 0, anns, annot.annotations.length, els.length);
annot.annotations = anns;
// System.out.println("else: ");
}
return annot;
}
@Override
public String print(final SequenceI[] sequences, boolean jvSuffix)
{
StringBuilder out = new StringBuilder();
out.append("# STOCKHOLM 1.0");
out.append(newline);
int maxIdWidth = 0;
for (SequenceI seq : sequences)
{
if (seq != null)
{
String formattedId = printId(seq, jvSuffix);
maxIdWidth = Math.max(maxIdWidth, formattedId.length());
}
}
maxIdWidth += 9;
/*
* generic alignment properties
*/
Hashtable props = al.getProperties();
if (props != null)
{
for (Object key : props.keySet())
{
out.append(String.format("#=GF %s %s", key.toString(),
props.get(key).toString()));
out.append(newline);
}
}
/*
* output database accessions as #=GS (per sequence annotation)
* PFAM or RFAM are output as AC
* others are output as DR ;
*/
Format formatter = new Format("%-" + (maxIdWidth - 2) + "s");
for (SequenceI seq : sequences)
{
if (seq != null)
{
DBRefEntry[] dbRefs = seq.getDBRefs();
if (dbRefs != null)
{
String idField = formatter
.form("#=GS " + printId(seq, jvSuffix) + " ");
for (DBRefEntry dbRef : dbRefs)
{
out.append(idField);
printDbRef(out, dbRef);
}
}
}
}
/*
* output annotations
*/
for (SequenceI seq : sequences)
{
if (seq != null)
{
AlignmentAnnotation[] alAnot = seq.getAnnotation();
if (alAnot != null)
{
for (int j = 0; j < alAnot.length; j++)
{
AlignmentAnnotation ann = alAnot[j];
String key = descriptionToType(ann.label);
boolean isrna = ann.isValidStruc();
if (isrna)
{
/*
* output as secondary structure if there is
* RNA secondary structure on the annotation
*/
key = "SS";
}
if (key == null)
{
continue;
}
out.append(new Format("%-" + maxIdWidth + "s").form(
"#=GR " + printId(seq, jvSuffix) + " " + key + " "));
Annotation[] anns = ann.annotations;
StringBuilder seqString = new StringBuilder();
for (int k = 0; k < anns.length; k++)
{
seqString
.append(getAnnotationCharacter(key, k, anns[k], seq));
}
out.append(seqString.toString());
out.append(newline);
}
}
out.append(new Format("%-" + maxIdWidth + "s")
.form(printId(seq, jvSuffix) + " "));
out.append(seq.getSequenceAsString());
out.append(newline);
}
}
/*
* output alignment annotation (but not auto-calculated or sequence-related)
*/
if (al.getAlignmentAnnotation() != null)
{
for (int ia = 0; ia < al.getAlignmentAnnotation().length; ia++)
{
AlignmentAnnotation aa = al.getAlignmentAnnotation()[ia];
if (aa.autoCalculated || !aa.visible || aa.sequenceRef != null)
{
continue;
}
String label = aa.label;
String key = "";
if (aa.label.equals("seq"))
{
label = "seq_cons";
}
else
{
key = descriptionToType(aa.label);
if ("RF".equals(key))
{
label = key;
}
else if (key != null)
{
label = key + "_cons";
}
}
label = label.replace(" ", "_");
out.append(
new Format("%-" + maxIdWidth + "s")
.form("#=GC " + label + " "));
StringBuilder sb = new StringBuilder(aa.annotations.length);
for (int j = 0; j < aa.annotations.length; j++)
{
sb.append(
getAnnotationCharacter(key, j, aa.annotations[j], null));
}
out.append(sb.toString());
out.append(newline);
}
}
out.append("//");
out.append(newline);
return out.toString();
}
/**
* A helper method that appends a formatted dbref to the output buffer
*
* @param out
* @param dbRef
*/
protected void printDbRef(StringBuilder out, DBRefEntry dbRef)
{
String db = dbRef.getSource();
String acc = dbRef.getAccessionId();
if (DBRefSource.PFAM.equalsIgnoreCase(db)
|| DBRefSource.RFAM.equalsIgnoreCase(db))
{
out.append(" AC " + acc);
}
else
{
out.append(" DR " + db + " ; " + acc);
}
out.append(newline);
}
/**
* Returns an annotation character to add to the output row
*
* @param seq
* @param key
* @param k
* @param ann
* @param sequenceI
*/
static char getAnnotationCharacter(String key, int k, Annotation annot,
SequenceI sequenceI)
{
char seq = ' ';
String ch = (annot == null)
? ((sequenceI == null) ? "-"
: Character.toString(sequenceI.getCharAt(k)))
: annot.displayCharacter;
if (key != null && key.equals("SS"))
{
if (annot == null)
{
// Stockholm format requires underscore, not space
return UNDERSCORE;
}
else
{
// valid secondary structure AND no alternative label (e.g. ' B')
if (annot.secondaryStructure > ' ' && ch.length() < 2)
{
return annot.secondaryStructure;
}
}
}
if (ch.length() == 0)
{
seq = '.';
}
else if (ch.length() == 1)
{
seq = ch.charAt(0);
}
else if (ch.length() > 1)
{
seq = ch.charAt(1);
}
return seq;
}
/**
* make a friendly ID string.
*
* @param dataName
* @return truncated dataName to after last '/'
*/
private String safeName(String dataName)
{
int b = 0;
while ((b = dataName.indexOf("/")) > -1 && b < dataName.length())
{
dataName = dataName.substring(b + 1).trim();
}
int e = (dataName.length() - dataName.indexOf(".")) + 1;
dataName = dataName.substring(1, e).trim();
return dataName;
}
}