X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fws%2Fdbsources%2FPdb.java;h=11fe95e36330a721254024d17bde26b939ecdb4d;hb=37de9310bec3501cbc6381e0c3dcb282fcaad812;hp=d3a6238c4430e48ffcb1c4b87736efae749d4cab;hpb=834ebffc22ed9e72b139cadf5652d1a7006da9b3;p=jalview.git diff --git a/src/jalview/ws/dbsources/Pdb.java b/src/jalview/ws/dbsources/Pdb.java index d3a6238..11fe95e 100644 --- a/src/jalview/ws/dbsources/Pdb.java +++ b/src/jalview/ws/dbsources/Pdb.java @@ -1,4 +1,3 @@ - /* * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$) * Copyright (C) $$Year-Rel$$ The Jalview Authors @@ -27,16 +26,16 @@ import jalview.datamodel.AlignmentI; import jalview.datamodel.DBRefEntry; import jalview.datamodel.DBRefSource; import jalview.datamodel.PDBEntry; +import jalview.datamodel.PDBEntry.Type; import jalview.datamodel.SequenceI; import jalview.io.FormatAdapter; import jalview.io.PDBFeatureSettings; -import jalview.structure.StructureViewSettings; +import jalview.structure.StructureImportSettings; import jalview.util.MessageManager; import jalview.ws.ebi.EBIFetchClient; import java.util.ArrayList; import java.util.List; -import java.util.Vector; import com.stevesoft.pat.Regex; @@ -46,15 +45,17 @@ import com.stevesoft.pat.Regex; */ public class Pdb extends EbiFileRetrievedProxy { + private static final String SEPARATOR = "|"; + + private static final String COLON = ":"; + + private static final int PDB_ID_LENGTH = 4; + public Pdb() { super(); } - public static final String FEATURE_INSERTION = "INSERTION"; - - public static final String FEATURE_RES_NUM = "RESNUM"; - /* * (non-Javadoc) * @@ -63,7 +64,6 @@ public class Pdb extends EbiFileRetrievedProxy @Override public String getAccessionSeparator() { - // TODO Auto-generated method stub return null; } @@ -109,37 +109,41 @@ public class Pdb extends EbiFileRetrievedProxy public AlignmentI getSequenceRecords(String queries) throws Exception { AlignmentI pdbAlignment = null; - Vector result = new Vector(); String chain = null; String id = null; - if (queries.indexOf(":") > -1) + if (queries.indexOf(COLON) > -1) { - chain = queries.substring(queries.indexOf(":") + 1); - id = queries.substring(0, queries.indexOf(":")); + chain = queries.substring(queries.indexOf(COLON) + 1); + id = queries.substring(0, queries.indexOf(COLON)); } else { id = queries; } - if (queries.length() > 4 && chain == null) + + /* + * extract chain code if it is appended to the id and we + * don't already have one + */ + if (queries.length() > PDB_ID_LENGTH && chain == null) { - chain = queries.substring(4, 5); - id = queries.substring(0, 4); + chain = queries.substring(PDB_ID_LENGTH, PDB_ID_LENGTH + 1); + id = queries.substring(0, PDB_ID_LENGTH); } + if (!isValidReference(id)) { System.err.println("Ignoring invalid pdb query: '" + id + "'"); stopQuery(); return null; } - String ext = StructureViewSettings.getCurrentDefaultFormat() - .equalsIgnoreCase("mmcif") ? ".cif" - : ".xml"; + String ext = StructureImportSettings.getDefaultStructureFileFormat() + .equalsIgnoreCase(Type.MMCIF.toString()) ? ".cif" : ".xml"; EBIFetchClient ebi = new EBIFetchClient(); - file = ebi.fetchDataAsFile("pdb:" + id, - StructureViewSettings.getCurrentDefaultFormat().toLowerCase(), - ext) - .getAbsolutePath(); + file = ebi.fetchDataAsFile( + "pdb:" + id, + StructureImportSettings.getDefaultStructureFileFormat() + .toLowerCase(), ext).getAbsolutePath(); stopQuery(); if (file == null) { @@ -150,7 +154,7 @@ public class Pdb extends EbiFileRetrievedProxy pdbAlignment = new FormatAdapter().readFile(file, jalview.io.AppletFormatAdapter.FILE, - StructureViewSettings.getCurrentDefaultFormat()); + StructureImportSettings.getDefaultStructureFileFormat()); if (pdbAlignment != null) { List toremove = new ArrayList(); @@ -165,16 +169,16 @@ public class Pdb extends EbiFileRetrievedProxy chid = pid.getChainCode(); } - ; - } if (chain == null || (chid != null && (chid.equals(chain) || chid.trim().equals(chain.trim()) || (chain .trim().length() == 0 && chid.equals("_"))))) { - pdbcs.setName(jalview.datamodel.DBRefSource.PDB + "|" + id - + "|" + pdbcs.getName()); + // FIXME seems to result in 'PDB|1QIP|1qip|A' - 1QIP is redundant. + // TODO: suggest simplify naming to 1qip|A as default name defined + pdbcs.setName(jalview.datamodel.DBRefSource.PDB + SEPARATOR + + id + SEPARATOR + pdbcs.getName()); // Might need to add more metadata to the PDBEntry object // like below /* @@ -265,7 +269,6 @@ public class Pdb extends EbiFileRetrievedProxy return 0; } - /** * Returns a descriptor for suitable feature display settings with *