X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fws%2Fdbsources%2FPdb.java;h=d945699d6b54aaed8250a3e873aaa5a4ff59f6e8;hb=ebca5f7880f838a5564dd419274ad6025b456dab;hp=b2529003513bcd053df3fb816cc16e17734fef0f;hpb=47168f025aefdaa044802bd5f8f510ffe43a4808;p=jalview.git

diff --git a/src/jalview/ws/dbsources/Pdb.java b/src/jalview/ws/dbsources/Pdb.java
index b252900..d945699 100644
--- a/src/jalview/ws/dbsources/Pdb.java
+++ b/src/jalview/ws/dbsources/Pdb.java
@@ -1,6 +1,7 @@
+
 /*
- * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8.2)
- * Copyright (C) 2014 The Jalview Authors
+ * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$)
+ * Copyright (C) $$Year-Rel$$ The Jalview Authors
  * 
  * This file is part of Jalview.
  * 
@@ -20,43 +21,46 @@
  */
 package jalview.ws.dbsources;
 
-import jalview.datamodel.Alignment;
+import jalview.api.FeatureSettingsModelI;
+import jalview.datamodel.AlignmentAnnotation;
+import jalview.datamodel.AlignmentI;
 import jalview.datamodel.DBRefEntry;
 import jalview.datamodel.DBRefSource;
 import jalview.datamodel.PDBEntry;
 import jalview.datamodel.SequenceI;
+import jalview.io.FormatAdapter;
+import jalview.io.PDBFeatureSettings;
+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 MCview.PDBChain;
-import MCview.PDBfile;
-
 import com.stevesoft.pat.Regex;
 
-import jalview.datamodel.AlignmentI;
-import jalview.io.FormatAdapter;
-import jalview.ws.ebi.EBIFetchClient;
-import jalview.ws.seqfetcher.DbSourceProxy;
-
 /**
  * @author JimP
  * 
  */
-public class Pdb extends EbiFileRetrievedProxy implements DbSourceProxy
+public class Pdb extends EbiFileRetrievedProxy
 {
   public Pdb()
   {
     super();
-    addDbSourceProperty(DBRefSource.PROTSEQDB);
   }
 
+  public static final String FEATURE_INSERTION = "INSERTION";
+
+  public static final String FEATURE_RES_NUM = "RESNUM";
+
   /*
    * (non-Javadoc)
    * 
    * @see jalview.ws.DbSourceProxy#getAccessionSeparator()
    */
+  @Override
   public String getAccessionSeparator()
   {
     // TODO Auto-generated method stub
@@ -68,6 +72,7 @@ public class Pdb extends EbiFileRetrievedProxy implements DbSourceProxy
    * 
    * @see jalview.ws.DbSourceProxy#getAccessionValidator()
    */
+  @Override
   public Regex getAccessionValidator()
   {
     return new Regex("([1-9][0-9A-Za-z]{3}):?([ _A-Za-z0-9]?)");
@@ -78,6 +83,7 @@ public class Pdb extends EbiFileRetrievedProxy implements DbSourceProxy
    * 
    * @see jalview.ws.DbSourceProxy#getDbSource()
    */
+  @Override
   public String getDbSource()
   {
     return DBRefSource.PDB;
@@ -88,6 +94,7 @@ public class Pdb extends EbiFileRetrievedProxy implements DbSourceProxy
    * 
    * @see jalview.ws.DbSourceProxy#getDbVersion()
    */
+  @Override
   public String getDbVersion()
   {
     return "0";
@@ -98,9 +105,10 @@ public class Pdb extends EbiFileRetrievedProxy implements DbSourceProxy
    * 
    * @see jalview.ws.DbSourceProxy#getSequenceRecords(java.lang.String[])
    */
+  @Override
   public AlignmentI getSequenceRecords(String queries) throws Exception
   {
-    AlignmentI pdbfile = null;
+    AlignmentI pdbAlignment = null;
     Vector result = new Vector();
     String chain = null;
     String id = null;
@@ -124,8 +132,14 @@ public class Pdb extends EbiFileRetrievedProxy implements DbSourceProxy
       stopQuery();
       return null;
     }
+    String ext = StructureImportSettings.getCurrentDefaultFormat()
+            .equalsIgnoreCase("mmcif") ? ".cif"
+            : ".xml";
     EBIFetchClient ebi = new EBIFetchClient();
-    file = ebi.fetchDataAsFile("pdb:" + id, "pdb", "raw").getAbsolutePath();
+    file = ebi.fetchDataAsFile("pdb:" + id,
+            StructureImportSettings.getCurrentDefaultFormat().toLowerCase(),
+            ext)
+            .getAbsolutePath();
     stopQuery();
     if (file == null)
     {
@@ -134,20 +148,21 @@ public class Pdb extends EbiFileRetrievedProxy implements DbSourceProxy
     try
     {
 
-      pdbfile = new FormatAdapter().readFile(file,
-              jalview.io.AppletFormatAdapter.FILE, "PDB");
-      if (pdbfile != null)
+      pdbAlignment = new FormatAdapter().readFile(file,
+              jalview.io.AppletFormatAdapter.FILE,
+              StructureImportSettings.getCurrentDefaultFormat());
+      if (pdbAlignment != null)
       {
-        List<SequenceI> toremove=new ArrayList<SequenceI>();
-        for (SequenceI pdbcs : pdbfile.getSequences())
+        List<SequenceI> toremove = new ArrayList<SequenceI>();
+        for (SequenceI pdbcs : pdbAlignment.getSequences())
         {
           String chid = null;
           // Mapping map=null;
-          for (PDBEntry pid : (Vector<PDBEntry>) pdbcs.getPDBId())
+          for (PDBEntry pid : pdbcs.getAllPDBEntries())
           {
             if (pid.getFile() == file)
             {
-              chid = (String) pid.getProperty().get("CHAIN");
+              chid = pid.getChainCode();
 
             }
             ;
@@ -183,21 +198,30 @@ public class Pdb extends EbiFileRetrievedProxy implements DbSourceProxy
           }
           else
           {
-            // mark this sequence to be removed from the alignment 
+            // mark this sequence to be removed from the alignment
             // - since it's not from the right chain
             toremove.add(pdbcs);
           }
         }
-        // now remove marked sequences 
-        for (SequenceI pdbcs:toremove) {
-          pdbfile.deleteSequence(pdbcs);
+        // now remove marked sequences
+        for (SequenceI pdbcs : toremove)
+        {
+          pdbAlignment.deleteSequence(pdbcs);
+          if (pdbcs.getAnnotation() != null)
+          {
+            for (AlignmentAnnotation aa : pdbcs.getAnnotation())
+            {
+              pdbAlignment.deleteAnnotation(aa);
+            }
+          }
         }
       }
-      
-      if (pdbfile == null || pdbfile.getHeight() < 1)
+
+      if (pdbAlignment == null || pdbAlignment.getHeight() < 1)
       {
-        throw new Exception("No PDB Records for " + id + " chain "
-                + ((chain == null) ? "' '" : chain));
+        throw new Exception(MessageManager.formatMessage(
+                "exception.no_pdb_records_for_chain", new String[] { id,
+                    ((chain == null) ? "' '" : chain) }));
       }
 
     } catch (Exception ex) // Problem parsing PDB file
@@ -205,7 +229,7 @@ public class Pdb extends EbiFileRetrievedProxy implements DbSourceProxy
       stopQuery();
       throw (ex);
     }
-    return pdbfile;
+    return pdbAlignment;
   }
 
   /*
@@ -213,6 +237,7 @@ public class Pdb extends EbiFileRetrievedProxy implements DbSourceProxy
    * 
    * @see jalview.ws.DbSourceProxy#isValidReference(java.lang.String)
    */
+  @Override
   public boolean isValidReference(String accession)
   {
     Regex r = getAccessionValidator();
@@ -220,13 +245,15 @@ public class Pdb extends EbiFileRetrievedProxy implements DbSourceProxy
   }
 
   /**
-   * obtain human glyoxalase chain A sequence
+   * human glyoxalase
    */
+  @Override
   public String getTestQuery()
   {
-    return "1QIPA";
+    return "1QIP";
   }
 
+  @Override
   public String getDbName()
   {
     return "PDB"; // getDbSource();
@@ -237,4 +264,20 @@ public class Pdb extends EbiFileRetrievedProxy implements DbSourceProxy
   {
     return 0;
   }
+
+
+  /**
+   * Returns a descriptor for suitable feature display settings with
+   * <ul>
+   * <li>ResNums or insertions features visible</li>
+   * <li>insertions features coloured red</li>
+   * <li>ResNum features coloured by label</li>
+   * <li>Insertions displayed above (on top of) ResNums</li>
+   * </ul>
+   */
+  @Override
+  public FeatureSettingsModelI getFeatureColourScheme()
+  {
+    return new PDBFeatureSettings();
+  }
 }