X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fws%2Fsifts%2FSiftsClient.java;h=8bae5ba727e1e531f6ab49e3aba6aee36bf11de3;hb=95ebbef7b78bf266a8252bd479510be3c80cd234;hp=f20954ee326d1d75919b248a105ab1b3f30f861a;hpb=6c43dd36929855a7907380ffb36b4df249d4a557;p=jalview.git diff --git a/src/jalview/ws/sifts/SiftsClient.java b/src/jalview/ws/sifts/SiftsClient.java index f20954e..8bae5ba 100644 --- a/src/jalview/ws/sifts/SiftsClient.java +++ b/src/jalview/ws/sifts/SiftsClient.java @@ -29,6 +29,7 @@ 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; @@ -149,7 +150,6 @@ public class SiftsClient implements SiftsClientI siftsEntry = parseSIFTs(siftsFile); } - /** * Parse the given SIFTs File and return a JAXB POJO of parsed data * @@ -212,6 +212,10 @@ public class SiftsClient implements SiftsClientI return new File(siftsFileName); } } + else + { + return siftsFile; + } } try { @@ -276,21 +280,23 @@ public class SiftsClient implements SiftsClientI { siftsDownloadDir.mkdirs(); } - // System.out.println(">> Download ftp url : " + siftsFileFTPURL); - 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); + // System.out.println(">> Download ftp url : " + siftsFileFTPURL); + // long now = System.currentTimeMillis(); + 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); } @@ -391,8 +397,8 @@ public class SiftsClient implements SiftsClientI String pdbFile, String chain) throws SiftsException { structId = (chain == null) ? pdbId : pdbId + "|" + chain; - System.out.println("Getting mapping for: " + pdbId + "|" + chain - + " : seq- " + seq.getName()); + System.out.println("Getting SIFTS mapping for " + structId + ": seq " + + seq.getName()); final StringBuilder mappingDetails = new StringBuilder(128); PrintStream ps = new PrintStream(System.out) @@ -471,12 +477,13 @@ public class SiftsClient implements SiftsClientI int pdbStart = UNASSIGNED; int pdbEnd = UNASSIGNED; - Integer[] keys = mapping.keySet().toArray(new Integer[0]); - Arrays.sort(keys); - if (keys.length < 1) + if (mapping.isEmpty()) { - throw new SiftsException(">>> Empty SIFTS mapping generated!!"); + throw new SiftsException("SIFTS mapping failed"); } + + Integer[] keys = mapping.keySet().toArray(new Integer[0]); + Arrays.sort(keys); seqStart = keys[0]; seqEnd = keys[keys.length - 1]; @@ -510,13 +517,13 @@ public class SiftsClient implements SiftsClientI if (os != null) { MappingOutputPojo mop = new MappingOutputPojo(); - mop.setSeqStart(pdbStart); - mop.setSeqEnd(pdbEnd); + mop.setSeqStart(seqStart); + mop.setSeqEnd(seqEnd); mop.setSeqName(seq.getName()); mop.setSeqResidue(matchedSeq); - mop.setStrStart(seqStart); - mop.setStrEnd(seqEnd); + mop.setStrStart(pdbStart); + mop.setStrEnd(pdbEnd); mop.setStrName(structId); mop.setStrResidue(targetStrucSeqs.toString()); @@ -611,6 +618,7 @@ public class SiftsClient implements SiftsClientI } } } + /** * * @param chainId @@ -762,8 +770,6 @@ public class SiftsClient implements SiftsClientI } } - - @Override public Entity getEntityById(String id) throws SiftsException { @@ -827,6 +833,10 @@ public class SiftsClient implements SiftsClientI if (sPojo[0].entityId != null) { + if (sPojo[0].pid < 1) + { + return null; + } for (Entity entity : entities) { if (!entity.getEntityId().equalsIgnoreCase(sPojo[0].entityId)) @@ -1001,8 +1011,10 @@ public class SiftsClient implements SiftsClientI { if ((i + (j * len)) < seqRes.length()) { - if (seqRes.charAt(i + (j * len)) == strRes - .charAt(i + (j * len)) + boolean sameChar = Comparison.isSameResidue( + seqRes.charAt(i + (j * len)), + strRes.charAt(i + (j * len)), false); + if (sameChar && !jalview.util.Comparison.isGap(seqRes.charAt(i + (j * len)))) {