/*
* 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.ws.dbsources;
import java.util.Locale;
import jalview.bin.Cache;
import jalview.datamodel.Alignment;
import jalview.datamodel.AlignmentI;
import jalview.datamodel.DBRefEntry;
import jalview.datamodel.DBRefSource;
import jalview.datamodel.PDBEntry;
import jalview.datamodel.Sequence;
import jalview.datamodel.SequenceFeature;
import jalview.datamodel.SequenceI;
import jalview.schemes.ResidueProperties;
import jalview.util.StringUtils;
import jalview.ws.seqfetcher.DbSourceProxyImpl;
import jalview.xml.binding.embl.ROOT;
import jalview.xml.binding.uniprot.DbReferenceType;
import jalview.xml.binding.uniprot.Entry;
import jalview.xml.binding.uniprot.FeatureType;
import jalview.xml.binding.uniprot.LocationType;
import jalview.xml.binding.uniprot.PositionType;
import jalview.xml.binding.uniprot.PropertyType;
import java.io.InputStream;
import java.net.URL;
import java.net.URLConnection;
import java.util.ArrayList;
import java.util.List;
import java.util.Vector;
import javax.xml.bind.JAXBContext;
import javax.xml.bind.JAXBElement;
import javax.xml.bind.JAXBException;
import javax.xml.stream.FactoryConfigurationError;
import javax.xml.stream.XMLInputFactory;
import javax.xml.stream.XMLStreamException;
import javax.xml.stream.XMLStreamReader;
import com.stevesoft.pat.Regex;
/**
* This class queries the Uniprot database for sequence data, unmarshals the
* returned XML, and converts it to Jalview Sequence records (including attached
* database references and sequence features)
*
* @author JimP
*
*/
public class TDBeacons extends DbSourceProxyImpl
{
private static final String DEFAULT_UNIPROT_DOMAIN = "https://www.uniprot.org";
private static final String BAR_DELIMITER = "|";
private static final String DEFAULT_THREEDBEACONS_DOMAIN = "https://wwwdev.ebi.ac.uk/pdbe/pdbe-kb/3dbeacons-hub-api/uniprot/summary/";
/**
* Constructor
*/
public TDBeacons()
{
super();
}
private String getDomain()
{
return Cache.getDefault("UNIPROT_DOMAIN", DEFAULT_UNIPROT_DOMAIN);
//return Cache.getDefault("3DB_DOMAIN", DEFAULT_THREEDBEACONS_DOMAIN );
}
/*
* (non-Javadoc)
*
* @see jalview.ws.DbSourceProxy#getAccessionSeparator()
*/
@Override
public String getAccessionSeparator()
{
return null;
}
/*
* (non-Javadoc)
*
* @see jalview.ws.DbSourceProxy#getAccessionValidator()
*/
@Override
public Regex getAccessionValidator()
{
return new Regex("([A-Z]+[0-9]+[A-Z0-9]+|[A-Z0-9]+_[A-Z0-9]+)");
}
/*
* (non-Javadoc)
*
* @see jalview.ws.DbSourceProxy#getDbSource()
*/
@Override
public String getDbSource()
{
return "3d-beacons";// DBRefSource.UNIPROT;
}
/*
* (non-Javadoc)
*
* @see jalview.ws.DbSourceProxy#getDbVersion()
*/
@Override
public String getDbVersion()
{
return "0"; // we really don't know what version we're on.
}
/*
* (non-Javadoc)
*
* @see jalview.ws.DbSourceProxy#getSequenceRecords(java.lang.String[])
*/
@Override
public AlignmentI getSequenceRecords(String queries) throws Exception
{
startQuery();
try
{
queries = queries.toUpperCase(Locale.ROOT).replaceAll(
"(UNIPROT\\|?|UNIPROT_|UNIREF\\d+_|UNIREF\\d+\\|?)", "");
AlignmentI al = null;
String downloadstring = getDomain() + "/uniprot/" + queries
+ ".xml";
// String downloadstring = getDomain() + queries + ".json";
URL url = new URL(downloadstring);
URLConnection urlconn = url.openConnection();
InputStream istr = urlconn.getInputStream();
List entries = getUniprotEntries(istr);
if (entries != null)
{
List seqs = new ArrayList<>();
for (Entry entry : entries)
{
seqs.add(uniprotEntryToSequence(entry));
}
al = new Alignment(seqs.toArray(new SequenceI[seqs.size()]));
}
stopQuery();
return al;
} catch (Exception e)
{
throw (e);
} finally
{
stopQuery();
}
}
/**
* Converts an Entry object (bound from Uniprot XML) to a Jalview Sequence
*
* @param entry
* @return
*/
SequenceI uniprotEntryToSequence(Entry entry)
{
String id = getUniprotEntryId(entry);
/*
* Sequence should not include any whitespace, but JAXB leaves these in
*/
String seqString = entry.getSequence().getValue().replaceAll("\\s*",
"");
SequenceI sequence = new Sequence(id,
seqString);
sequence.setDescription(getUniprotEntryDescription(entry));
/*
* add a 'self' DBRefEntry for each accession
*/
final String dbVersion = getDbVersion();
List dbRefs = new ArrayList<>();
for (String accessionId : entry.getAccession())
{
DBRefEntry dbRef = new DBRefEntry(DBRefSource.UNIPROT, dbVersion,
accessionId);
dbRefs.add(dbRef);
}
/*
* add a DBRefEntry for each dbReference element in the XML;
* also add a PDBEntry if type="PDB";
* also add an EMBLCDS dbref if protein sequence id is given
* also add an Ensembl dbref " " " " " "
*/
Vector pdbRefs = new Vector<>();
for (DbReferenceType dbref : entry.getDbReference())
{
String type = dbref.getType();
DBRefEntry dbr = new DBRefEntry(type,
DBRefSource.UNIPROT + ":" + dbVersion, dbref.getId());
dbRefs.add(dbr);
if ("PDB".equals(type))
{
pdbRefs.add(new PDBEntry(dbr));
}
if ("EMBL".equals(type))
{
/*
* e.g. Uniprot accession Q9BXM7 has
*
*
*
*
*/
String cdsId = getProperty(dbref.getProperty(),
"protein sequence ID");
if (cdsId != null && cdsId.trim().length() > 0)
{
// remove version
String[] vrs = cdsId.split("\\.");
String version = vrs.length > 1 ? vrs[1]
: DBRefSource.UNIPROT + ":" + dbVersion;
dbr = new DBRefEntry(DBRefSource.EMBLCDS, version, vrs[0]);
dbRefs.add(dbr);
}
}
if ("Ensembl".equals(type))
{
/*
* e.g. Uniprot accession Q9BXM7 has
*
*
*
*
*
*/
String cdsId = getProperty(dbref.getProperty(),
"protein sequence ID");
if (cdsId != null && cdsId.trim().length() > 0)
{
dbr = new DBRefEntry(DBRefSource.ENSEMBL,
DBRefSource.UNIPROT + ":" + dbVersion, cdsId.trim());
dbRefs.add(dbr);
}
}
}
/*
* create features; they have either begin and end, or position, in XML
*/
sequence.setPDBId(pdbRefs);
if (entry.getFeature() != null)
{
for (FeatureType uf : entry.getFeature())
{
LocationType location = uf.getLocation();
int start = 0;
int end = 0;
if (location.getPosition() != null)
{
start = location.getPosition().getPosition().intValue();
end = start;
}
else
{
start = location.getBegin().getPosition().intValue();
end = location.getEnd().getPosition().intValue();
}
SequenceFeature sf = new SequenceFeature(uf.getType(),
getDescription(uf), start, end, "Uniprot");
sf.setStatus(uf.getStatus());
sequence.addSequenceFeature(sf);
}
}
for (DBRefEntry dbr : dbRefs)
{
sequence.addDBRef(dbr);
}
return sequence;
}
/**
* A helper method that builds a sequence feature description
*
* @param feature
* @return
*/
static String getDescription(FeatureType feature)
{
String orig = feature.getOriginal();
List variants = feature.getVariation();
StringBuilder sb = new StringBuilder();
/*
* append variant in standard format if present
* e.g. p.Arg59Lys
* multiple variants are split over lines using
*/
boolean asHtml = false;
if (orig != null && !orig.isEmpty() && variants != null
&& !variants.isEmpty())
{
int p = 0;
for (String var : variants)
{
// TODO proper HGVS nomenclature for delins structural variations
// http://varnomen.hgvs.org/recommendations/protein/variant/delins/
// for now we are pragmatic - any orig/variant sequence longer than
// three characters is shown with single-character notation rather than
// three-letter notation
sb.append("p.");
if (orig.length() < 4)
{
for (int c = 0, clen = orig.length(); c < clen; c++)
{
char origchar = orig.charAt(c);
String orig3 = ResidueProperties.aa2Triplet.get("" + origchar);
sb.append(orig3 == null ? origchar
: StringUtils.toSentenceCase(orig3));
}
}
else
{
sb.append(orig);
}
LocationType location = feature.getLocation();
PositionType start = location.getPosition() == null
? location.getBegin()
: location.getPosition();
sb.append(Integer.toString(start.getPosition().intValue()));
if (var.length() < 4)
{
for (int c = 0, clen = var.length(); c < clen; c++)
{
char varchar = var.charAt(c);
String var3 = ResidueProperties.aa2Triplet.get("" + varchar);
sb.append(var3 != null ? StringUtils.toSentenceCase(var3)
: "" + varchar);
}
}
else
{
sb.append(var);
}
if (++p != variants.size())
{
sb.append("
");
asHtml = true;
}
else
{
sb.append(" ");
}
}
}
String description = feature.getDescription();
if (description != null)
{
sb.append(description);
}
if (asHtml)
{
sb.insert(0, "");
sb.append("");
}
return sb.toString();
}
/**
* A helper method that searches the list of properties for one with the given
* key, and if found returns the property value, else returns null
*
* @param properties
* @param key
* @return
*/
static String getProperty(List properties, String key)
{
String value = null;
if (properties != null)
{
for (PropertyType prop : properties)
{
if (key.equals(prop.getType()))
{
value = prop.getValue();
break;
}
}
}
return value;
}
/**
* Extracts xml element entry/protein/recommendedName/fullName
*
* @param entry
* @return
*/
static String getUniprotEntryDescription(Entry entry)
{
String desc = "";
if (entry.getProtein() != null
&& entry.getProtein().getRecommendedName() != null)
{
// fullName is mandatory if recommendedName is present
desc = entry.getProtein().getRecommendedName().getFullName()
.getValue();
}
return desc;
}
/**
* Constructs a sequence id by concatenating all entry/name elements with '|'
* separator
*
* @param entry
* @return
*/
static String getUniprotEntryId(Entry entry)
{
StringBuilder name = new StringBuilder(32);
for (String n : entry.getName())
{
if (name.length() > 0)
{
name.append(BAR_DELIMITER);
}
name.append(n);
}
return name.toString();
}
/*
* (non-Javadoc)
*
* @see jalview.ws.DbSourceProxy#isValidReference(java.lang.String)
*/
@Override
public boolean isValidReference(String accession)
{
// TODO: make the following a standard validator
return (accession == null || accession.length() < 2) ? false
: getAccessionValidator().search(accession);
}
/**
* return LDHA_CHICK uniprot entry
*/
@Override
public String getTestQuery()
{
return "P00340";
}
@Override
public String getDbName()
{
return "Uniprot"; // getDbSource();
}
@Override
public int getTier()
{
return 0;
}
/**
* Reads the reply to the EBI Fetch Uniprot data query, unmarshals it to an
* Uniprot object, and returns the enclosed Entry objects, or null on any
* failure
*
* @param is
* @return
*/
public List getUniprotEntries(InputStream is)
{
List entries = null;
try
{
JAXBContext jc = JAXBContext
.newInstance("jalview.xml.binding.uniprot");
XMLStreamReader streamReader = XMLInputFactory.newInstance()
.createXMLStreamReader(is);
javax.xml.bind.Unmarshaller um = jc.createUnmarshaller();
JAXBElement uniprotElement =
um.unmarshal(streamReader, jalview.xml.binding.uniprot.Uniprot.class);
jalview.xml.binding.uniprot.Uniprot uniprot = uniprotElement.getValue();
if (uniprot != null && !uniprot.getEntry().isEmpty())
{
entries = uniprot.getEntry();
}
} catch (JAXBException | XMLStreamException
| FactoryConfigurationError e)
{
e.printStackTrace();
}
return entries;
}
}