*/
package jalview.ws.sifts;
-import jalview.analysis.AlignSeq;
-import jalview.analysis.scoremodels.ScoreMatrix;
-import jalview.analysis.scoremodels.ScoreModels;
-import jalview.api.DBRefEntryI;
-import jalview.api.SiftsClientI;
-import jalview.datamodel.DBRefEntry;
-import jalview.datamodel.DBRefSource;
-import jalview.datamodel.SequenceI;
-import jalview.io.StructureFile;
-import jalview.schemes.ResidueProperties;
-import jalview.structure.StructureMapping;
-import jalview.util.Comparison;
-import jalview.util.DBRefUtils;
-import jalview.util.Format;
-import jalview.xml.binding.sifts.Entry;
-import jalview.xml.binding.sifts.Entry.Entity;
-import jalview.xml.binding.sifts.Entry.Entity.Segment;
-import jalview.xml.binding.sifts.Entry.Entity.Segment.ListMapRegion.MapRegion;
-import jalview.xml.binding.sifts.Entry.Entity.Segment.ListResidue.Residue;
-import jalview.xml.binding.sifts.Entry.Entity.Segment.ListResidue.Residue.CrossRefDb;
-import jalview.xml.binding.sifts.Entry.Entity.Segment.ListResidue.Residue.ResidueDetail;
-
import java.io.File;
import java.io.FileInputStream;
-import java.io.FileOutputStream;
import java.io.IOException;
import java.io.InputStream;
import java.io.PrintStream;
import java.net.URL;
import java.net.URLConnection;
-import java.nio.file.Files;
-import java.nio.file.Path;
-import java.nio.file.attribute.BasicFileAttributes;
import java.util.ArrayList;
import java.util.Arrays;
import java.util.Collection;
import java.util.Collections;
-import java.util.Date;
import java.util.HashMap;
import java.util.HashSet;
import java.util.List;
import java.util.zip.GZIPInputStream;
import javax.xml.bind.JAXBContext;
+import javax.xml.bind.JAXBElement;
import javax.xml.bind.Unmarshaller;
import javax.xml.stream.XMLInputFactory;
import javax.xml.stream.XMLStreamReader;
+import jalview.analysis.AlignSeq;
+import jalview.analysis.scoremodels.ScoreMatrix;
+import jalview.analysis.scoremodels.ScoreModels;
+import jalview.api.DBRefEntryI;
+import jalview.api.SiftsClientI;
+import jalview.datamodel.DBRefEntry;
+import jalview.datamodel.DBRefSource;
+import jalview.datamodel.SequenceI;
+import jalview.io.StructureFile;
+import jalview.schemes.ResidueProperties;
+import jalview.structure.StructureMapping;
+import jalview.util.Comparison;
+import jalview.util.DBRefUtils;
+import jalview.util.Format;
+import jalview.util.Platform;
+import jalview.xml.binding.sifts.Entry;
+import jalview.xml.binding.sifts.Entry.Entity;
+import jalview.xml.binding.sifts.Entry.Entity.Segment;
+import jalview.xml.binding.sifts.Entry.Entity.Segment.ListMapRegion.MapRegion;
+import jalview.xml.binding.sifts.Entry.Entity.Segment.ListResidue.Residue;
+import jalview.xml.binding.sifts.Entry.Entity.Segment.ListResidue.Residue.CrossRefDb;
+import jalview.xml.binding.sifts.Entry.Entity.Segment.ListResidue.Residue.ResidueDetail;
import mc_view.Atom;
import mc_view.PDBChain;
*/
private jalview.datamodel.Mapping seqFromPdbMapping;
- private static final int BUFFER_SIZE = 4096;
-
public static final int UNASSIGNED = Integer.MIN_VALUE;
private static final int PDB_RES_POS = 0;
private final static String NEWLINE = System.lineSeparator();
+ private static final boolean GET_STREAM = false;
+ private static final boolean CACHE_FILE = true;
+
private String curSourceDBRef;
private HashSet<String> curDBRefAccessionIdsString;
+ private boolean doCache = false;
+
private enum CoordinateSys
{
UNIPROT("UniProt"), PDB("PDBresnum"), PDBe("PDBe");
{
this.pdb = pdb;
this.pdbId = pdb.getId();
- File siftsFile = getSiftsFile(pdbId);
- siftsEntry = parseSIFTs(siftsFile);
+ if (doCache) {
+ File siftsFile = getSiftsFile(pdbId);
+ siftsEntry = parseSIFTs(siftsFile);
+ } else {
+ siftsEntry = parseSIFTSStreamFor(pdbId);
+ }
+ }
+
+ /**
+ * A more streamlined version of SIFT reading that allows for streaming of the data.
+ *
+ * @param pdbId
+ * @return
+ * @throws SiftsException
+ */
+ private static Entry parseSIFTSStreamFor(String pdbId) throws SiftsException
+ {
+ try
+ {
+ InputStream is = (InputStream) downloadSifts(pdbId, GET_STREAM);
+ return parseSIFTs(is);
+ } catch (Exception e)
+ {
+ throw new SiftsException(e.getMessage());
+ }
}
/**
*/
private Entry parseSIFTs(File siftFile) throws SiftsException
{
- try (InputStream in = new FileInputStream(siftFile);
- GZIPInputStream gzis = new GZIPInputStream(in);)
+ try (InputStream in = new FileInputStream(siftFile)) {
+ return parseSIFTs(in);
+ } catch (Exception e)
+ {
+ e.printStackTrace();
+ throw new SiftsException(e.getMessage());
+ }
+ }
+
+ private static Entry parseSIFTs(InputStream in) throws Exception {
+ try (GZIPInputStream gzis = new GZIPInputStream(in);)
{
// System.out.println("File : " + siftFile.getAbsolutePath());
JAXBContext jc = JAXBContext.newInstance("jalview.xml.binding.sifts");
XMLStreamReader streamReader = XMLInputFactory.newInstance()
.createXMLStreamReader(gzis);
Unmarshaller um = jc.createUnmarshaller();
- return (Entry) um.unmarshal(streamReader);
- } catch (Exception e)
- {
- e.printStackTrace();
- throw new SiftsException(e.getMessage());
+ JAXBElement<Entry> jbe = um.unmarshal(streamReader, Entry.class);
+ return jbe.getValue();
}
}
// The line below is required for unit testing... don't comment it out!!!
System.out.println(">>> SIFTS File already downloaded for " + pdbId);
- if (isFileOlderThanThreshold(siftsFile,
+ if (Platform.isFileOlderThanThreshold(siftsFile,
SiftsSettings.getCacheThresholdInDays()))
{
File oldSiftsFile = new File(siftsFileName + "_old");
siftsFile.renameTo(oldSiftsFile);
try
{
- siftsFile = downloadSiftsFile(pdbId.toLowerCase());
+ siftsFile = downloadSiftsFile(pdbId);
oldSiftsFile.delete();
return siftsFile;
} catch (IOException e)
}
try
{
- siftsFile = downloadSiftsFile(pdbId.toLowerCase());
+ siftsFile = downloadSiftsFile(pdbId);
} catch (IOException e)
{
throw new SiftsException(e.getMessage());
}
/**
- * This method enables checking if a cached file has exceeded a certain
- * threshold(in days)
- *
- * @param file
- * the cached file
- * @param noOfDays
- * the threshold in days
- * @return
- */
- public static boolean isFileOlderThanThreshold(File file, int noOfDays)
- {
- Path filePath = file.toPath();
- BasicFileAttributes attr;
- int diffInDays = 0;
- try
- {
- attr = Files.readAttributes(filePath, BasicFileAttributes.class);
- diffInDays = (int) ((new Date().getTime()
- - attr.lastModifiedTime().toMillis())
- / (1000 * 60 * 60 * 24));
- // System.out.println("Diff in days : " + diffInDays);
- } catch (IOException e)
- {
- e.printStackTrace();
- }
- return noOfDays <= diffInDays;
- }
-
- /**
* Download a SIFTs XML file for a given PDB Id from an FTP repository
*
* @param pdbId
*/
public static File downloadSiftsFile(String pdbId)
throws SiftsException, IOException
+ {
+ return (File) downloadSifts(pdbId, CACHE_FILE);
+ }
+
+ /**
+ * Download SIFTs XML with the option to cache a file or to get a stream.
+ *
+ * @param pdbId
+ * @param asFile
+ * @return
+ * @throws IOException
+ */
+ private static Object downloadSifts(String pdbId, boolean asFile) throws IOException
{
+ pdbId = pdbId.toLowerCase();
if (pdbId.contains(".cif"))
{
pdbId = pdbId.replace(".cif", "");
}
String siftFile = pdbId + ".xml.gz";
- String siftsFileFTPURL = SIFTS_FTP_BASE_URL + siftFile;
- String downloadedSiftsFile = SiftsSettings.getSiftDownloadDirectory()
- + siftFile;
- File siftsDownloadDir = new File(
- SiftsSettings.getSiftDownloadDirectory());
- if (!siftsDownloadDir.exists())
+
+ File downloadTo = null;
+ if (asFile)
{
- siftsDownloadDir.mkdirs();
+ downloadTo = new File(
+ SiftsSettings.getSiftDownloadDirectory() + siftFile);
+ File siftsDownloadDir = new File(SiftsSettings.getSiftDownloadDirectory());
+ if (!siftsDownloadDir.exists())
+ {
+ siftsDownloadDir.mkdirs();
+ }
}
- // System.out.println(">> Download ftp url : " + siftsFileFTPURL);
- // long now = System.currentTimeMillis();
+ String siftsFileFTPURL = SIFTS_FTP_BASE_URL + siftFile;
URL url = new URL(siftsFileFTPURL);
URLConnection conn = url.openConnection();
- InputStream inputStream = conn.getInputStream();
- FileOutputStream outputStream = new FileOutputStream(
- downloadedSiftsFile);
- byte[] buffer = new byte[BUFFER_SIZE];
- int bytesRead = -1;
- while ((bytesRead = inputStream.read(buffer)) != -1)
- {
- outputStream.write(buffer, 0, bytesRead);
- }
- outputStream.close();
- inputStream.close();
- // System.out.println(">>> File downloaded : " + downloadedSiftsFile
- // + " took " + (System.currentTimeMillis() - now) + "ms");
- return new File(downloadedSiftsFile);
+ InputStream is = conn.getInputStream();
+ if (!asFile)
+ return is;
+ // This is MUCH more efficent in JavaScript, as we already have the bytes
+ Platform.streamToFile(is, downloadTo);
+ is.close();
+ return downloadTo;
}
/**
for (Residue residue : residues)
{
boolean isObserved = isResidueObserved(residue);
- int pdbeIndex = getLeadingIntegerValue(residue.getDbResNum(),
+ int pdbeIndex = Platform.getLeadingIntegerValue(residue.getDbResNum(),
UNASSIGNED);
int currSeqIndex = UNASSIGNED;
List<CrossRefDb> cRefDbs = residue.getCrossRefDb();
pdbRefDb = cRefDb;
if (firstPDBResNum == UNASSIGNED)
{
- firstPDBResNum = getLeadingIntegerValue(cRefDb.getDbResNum(),
+ firstPDBResNum = Platform.getLeadingIntegerValue(cRefDb.getDbResNum(),
UNASSIGNED);
}
else
if (cRefDb.getDbCoordSys().equalsIgnoreCase(seqCoordSys.getName())
&& isAccessionMatched(cRefDb.getDbAccessionId()))
{
- currSeqIndex = getLeadingIntegerValue(cRefDb.getDbResNum(),
+ currSeqIndex = Platform.getLeadingIntegerValue(cRefDb.getDbResNum(),
UNASSIGNED);
if (pdbRefDb != null)
{
{
int resNum = (pdbRefDb == null)
- ? getLeadingIntegerValue(residue.getDbResNum(),
+ ? Platform.getLeadingIntegerValue(residue.getDbResNum(),
UNASSIGNED)
- : getLeadingIntegerValue(pdbRefDb.getDbResNum(),
+ : Platform.getLeadingIntegerValue(pdbRefDb.getDbResNum(),
UNASSIGNED);
if (isObserved)
}
/**
- * Get the leading integer part of a string that begins with an integer.
- *
- * @param input
- * - the string input to process
- * @param failValue
- * - value returned if unsuccessful
- * @return
- */
- static int getLeadingIntegerValue(String input, int failValue)
- {
- if (input == null)
- {
- return failValue;
- }
- String[] parts = input.split("(?=\\D)(?<=\\d)");
- if (parts != null && parts.length > 0 && parts[0].matches("[0-9]+"))
- {
- return Integer.valueOf(parts[0]);
- }
- return failValue;
- }
-
- /**
*
* @param chainId
* Target chain to populate mapping of its atom positions.
git://source.jalview.org / jalview.git / blobdiff