fixed pdbentry creation and multiple uniprot or pdb entry retrieval.
[jalview.git] / src / jalview / gui / SequenceFetcher.java
index aa494f5..b3ccf5e 100755 (executable)
@@ -29,7 +29,6 @@ import java.io.File;
 import jalview.io.*;\r
 import java.util.*;\r
 \r
-\r
 public class SequenceFetcher\r
     extends JPanel implements Runnable\r
 {\r
@@ -57,12 +56,16 @@ public class SequenceFetcher
 \r
     frame = new JInternalFrame();\r
     frame.setContentPane(this);\r
-    if(System.getProperty("os.name").startsWith("Mac"))\r
-      Desktop.addInternalFrame(frame, ((af==null) ?\r
-                                       "New " : "Additional ")+"Sequence Fetcher (WSDBfetch@EBI)", 400, 140);\r
+    if (System.getProperty("os.name").startsWith("Mac"))\r
+      Desktop.addInternalFrame(frame, getFrameTitle(), 400, 140);\r
     else\r
-      Desktop.addInternalFrame(frame, ((af==null) ?\r
-                                       "New " : "Additional ")+"Sequence Fetcher (WSDBfetch@EBI)", 400, 125);\r
+      Desktop.addInternalFrame(frame, getFrameTitle(), 400, 125);\r
+  }\r
+\r
+  private String getFrameTitle()\r
+  {\r
+    return ( (alignFrame == null) ? "New " : "Additional ") +\r
+        "Sequence Fetcher (WSDBfetch@EBI)";\r
   }\r
 \r
   private void jbInit()\r
@@ -149,12 +152,13 @@ public class SequenceFetcher
     worker.start();\r
   }\r
 \r
-  private void resetDialog() {\r
+  private void resetDialog()\r
+  {\r
     database.setEnabled(true);\r
     textfield.setEnabled(true);\r
     ok.setEnabled(true);\r
     cancel.setEnabled(true);\r
-    frame.setTitle("Sequence Fetcher (WSDBfetch@EBI)");\r
+    frame.setTitle(getFrameTitle());\r
   }\r
 \r
   public void run()\r
@@ -162,23 +166,24 @@ public class SequenceFetcher
     String error = "";\r
     if (database.getSelectedItem().equals(noDbSelected))\r
       error += "Please select the source database\n";\r
-    com.stevesoft.pat.Regex empty=new com.stevesoft.pat.Regex("\\s+","");\r
+    com.stevesoft.pat.Regex empty = new com.stevesoft.pat.Regex("\\s+", "");\r
     textfield.setText(empty.replaceAll(textfield.getText()));\r
-    if (textfield.getText().length()==0)\r
-      error+="Please enter a (semi-colon separated list of) database id(s)";\r
-    if (error.length()>0) {\r
+    if (textfield.getText().length() == 0)\r
+      error += "Please enter a (semi-colon separated list of) database id(s)";\r
+    if (error.length() > 0)\r
+    {\r
       showErrorMessage(error);\r
       resetDialog();\r
       return;\r
     }\r
 \r
-   result = new StringBuffer();\r
+    result = new StringBuffer();\r
     if (database.getSelectedItem().equals("Uniprot"))\r
     {\r
       getUniprotFile(textfield.getText());\r
     }\r
     else if (database.getSelectedItem().equals("EMBL")\r
-        || database.getSelectedItem().equals("EMBLCDS"))\r
+             || database.getSelectedItem().equals("EMBLCDS"))\r
     {\r
       EBIFetchClient dbFetch = new EBIFetchClient();\r
       String[] reply = dbFetch.fetchData(\r
@@ -193,12 +198,19 @@ public class SequenceFetcher
     }\r
     else if (database.getSelectedItem().equals("PDB"))\r
     {\r
-      result = getPDBFile(textfield.getText().toUpperCase());\r
-      if (result!=null)\r
+      StringTokenizer qset = new StringTokenizer(textfield.getText(), ";");\r
+      String query;\r
+      while (qset.hasMoreTokens() && ((query = qset.nextToken())!=null))\r
+      {\r
+        StringBuffer respart = getPDBFile(query.toUpperCase());\r
+        result.append(respart);\r
+\r
+      }\r
+\r
+      if (result != null)\r
         parseResult(result.toString());\r
     }\r
 \r
-\r
     if (result == null || result.length() == 0)\r
       showErrorMessage("Error retrieving " + textfield.getText()\r
                        + " from " + database.getSelectedItem());\r
@@ -210,41 +222,42 @@ public class SequenceFetcher
   void getUniprotFile(String id)\r
   {\r
     EBIFetchClient ebi = new EBIFetchClient();\r
-    File file = ebi.fetchDataAsFile("uniprot:"+id,"xml", null);\r
+    File file = ebi.fetchDataAsFile("uniprot:" + id, "xml", null);\r
     SequenceFeatureFetcher sff = new SequenceFeatureFetcher();\r
     Vector entries = sff.getUniprotEntries(file);\r
 \r
-    if(entries!=null)\r
+    if (entries != null)\r
     {\r
       //First, make the new sequences\r
       Enumeration en = entries.elements();\r
       while (en.hasMoreElements())\r
       {\r
         UniprotEntry entry = (UniprotEntry) en.nextElement();\r
-        StringBuffer name = new StringBuffer( ">Uniprot/Swiss-Prot" );\r
+        StringBuffer name = new StringBuffer(">Uniprot/Swiss-Prot");\r
         Enumeration en2 = entry.getAccession().elements();\r
-        while(en2.hasMoreElements())\r
+        while (en2.hasMoreElements())\r
         {\r
           name.append("|");\r
           name.append(en2.nextElement());\r
         }\r
         en2 = entry.getName().elements();\r
-        while(en2.hasMoreElements())\r
+        while (en2.hasMoreElements())\r
         {\r
           name.append("|");\r
           name.append(en2.nextElement());\r
         }\r
 \r
-        if(entry.getProteinName()!=null)\r
-          name.append(" "+entry.getProteinName().elementAt(0));\r
+        if (entry.getProteinName() != null)\r
+          name.append(" " + entry.getProteinName().elementAt(0));\r
 \r
-        result.append(name +"\n"+entry.getUniprotSequence().getContent());\r
+        result.append(name + "\n" + entry.getUniprotSequence().getContent() +\r
+                      "\n");\r
 \r
       }\r
 \r
       //Then read in the features and apply them to the dataset\r
-      SequenceI [] sequence = parseResult(result.toString());\r
-      for(int i=0; i<entries.size(); i++)\r
+      SequenceI[] sequence = parseResult(result.toString());\r
+      for (int i = 0; i < entries.size(); i++)\r
       {\r
         UniprotEntry entry = (UniprotEntry) entries.elementAt(i);\r
         Enumeration e = entry.getDbReference().elements();\r
@@ -265,124 +278,155 @@ public class SequenceFetcher
     }\r
   }\r
 \r
-    StringBuffer getPDBFile(String id)\r
+  StringBuffer getPDBFile(String id)\r
+  {\r
+    StringBuffer result = new StringBuffer();\r
+    String chain = null;\r
+    if (id.indexOf(":") > -1)\r
     {\r
-      StringBuffer result = new StringBuffer();\r
-      String chain = null;\r
-      if (id.indexOf(":") > -1)\r
-      {\r
-        chain = id.substring(id.indexOf(":") + 1);\r
-        id = id.substring(0, id.indexOf(":"));\r
-      }\r
+      chain = id.substring(id.indexOf(":") + 1);\r
+      id = id.substring(0, id.indexOf(":"));\r
+    }\r
 \r
-      EBIFetchClient ebi = new EBIFetchClient();\r
-      String[] reply = ebi.fetchData("pdb:" + id, "pdb", "raw");\r
-      if (reply==null)\r
-        return null;\r
-      try\r
-      {\r
-        PDBfile pdbfile = new PDBfile(reply);\r
-        for (int i = 0; i < pdbfile.chains.size(); i++)\r
-        {\r
-          if (chain == null ||\r
-              ( (PDBChain) pdbfile.chains.elementAt(i)).id.\r
-              toUpperCase().equals(chain))\r
-            result.append("\n>PDB|" + id + "|" +\r
-                          ( (PDBChain) pdbfile.chains.elementAt(i)).sequence.\r
-                          getName() +\r
-                          "\n"\r
-                          +\r
-                          ( (PDBChain) pdbfile.chains.elementAt(i)).sequence.\r
-                          getSequence());\r
-        }\r
-      }\r
-      catch (Exception ex) // Problem parsing PDB file\r
+    EBIFetchClient ebi = new EBIFetchClient();\r
+    String[] reply = ebi.fetchData("pdb:" + id, "pdb", "raw");\r
+    if (reply == null)\r
+      return null;\r
+    try\r
+    {\r
+      PDBfile pdbfile = new PDBfile(reply);\r
+      for (int i = 0; i < pdbfile.chains.size(); i++)\r
       {\r
-        jalview.bin.Cache.log.warn("Exception when retrieving " + textfield.getText() + " from " +\r
-            database.getSelectedItem(), ex);\r
-        return null;\r
+        if (chain == null ||\r
+            ( (PDBChain) pdbfile.chains.elementAt(i)).id.\r
+            toUpperCase().equals(chain))\r
+          result.append("\n>PDB|" + id + "|" +\r
+                        ( (PDBChain) pdbfile.chains.elementAt(i)).sequence.\r
+                        getName() +\r
+                        "\n"\r
+                        +\r
+                        ( (PDBChain) pdbfile.chains.elementAt(i)).sequence.\r
+                        getSequence());\r
       }\r
-\r
-      return result;\r
     }\r
-\r
-    SequenceI[] parseResult(String result)\r
+    catch (Exception ex) // Problem parsing PDB file\r
     {\r
-      String format = IdentifyFile.Identify(result, "Paste");\r
-      SequenceI[] sequences = null;\r
+      jalview.bin.Cache.log.warn("Exception when retrieving " +\r
+                                 textfield.getText() + " from " +\r
+                                 database.getSelectedItem(), ex);\r
+      return null;\r
+    }\r
 \r
-      if (FormatAdapter.formats.contains(format))\r
+    return result;\r
+  }\r
+\r
+  SequenceI[] parseResult(String result)\r
+  {\r
+    String format = IdentifyFile.Identify(result, "Paste");\r
+    SequenceI[] sequences = null;\r
+\r
+    if (FormatAdapter.formats.contains(format))\r
+    {\r
+      sequences = new FormatAdapter().readFile(result.toString(), "Paste",\r
+                                               format);\r
+      if (sequences != null && sequences.length > 0)\r
       {\r
-        sequences = new FormatAdapter().readFile(result.toString(), "Paste", format);\r
-        if (sequences != null && sequences.length>0)\r
+        if (alignFrame == null)\r
         {\r
-          if(alignFrame==null)\r
+          AlignFrame af = new AlignFrame(new Alignment(sequences));\r
+          af.currentFileFormat = format;\r
+          Desktop.addInternalFrame(af,\r
+                                   "Retrieved from " + database.getSelectedItem(),\r
+                                   AlignFrame.NEW_WINDOW_WIDTH,\r
+                                   AlignFrame.NEW_WINDOW_HEIGHT);\r
+          af.statusBar.setText("Successfully pasted alignment file");\r
+          try\r
           {\r
-            AlignFrame af = new AlignFrame(new Alignment(sequences));\r
-            af.currentFileFormat = format;\r
-            Desktop.addInternalFrame(af, "Retrieved from "+database.getSelectedItem(),\r
-                                     AlignFrame.NEW_WINDOW_WIDTH,\r
-                                     AlignFrame.NEW_WINDOW_HEIGHT);\r
-            af.statusBar.setText("Successfully pasted alignment file");\r
-            try\r
-            {\r
-              af.setMaximum(jalview.bin.Cache.getDefault("SHOW_FULLSCREEN", false));\r
-            }\r
-            catch (Exception ex)\r
-            {}\r
+            af.setMaximum(jalview.bin.Cache.getDefault("SHOW_FULLSCREEN", false));\r
           }\r
-          else\r
+          catch (Exception ex)\r
+          {}\r
+        }\r
+        else\r
+        {\r
+          for (int i = 0; i < sequences.length; i++)\r
           {\r
-            for (int i = 0; i < sequences.length; i++)\r
-            {\r
-              alignFrame.viewport.alignment.addSequence(sequences[i]);\r
-\r
-              ////////////////////////////\r
-              //Datset needs extension;\r
-              /////////////////////////////\r
-              Sequence ds = new Sequence(sequences[i].getName(),\r
-                                         AlignSeq.extractGaps("-. ",\r
-                  sequences[i].getSequence()),\r
-                                         sequences[i].getStart(),\r
-                                         sequences[i].getEnd());\r
-              sequences[i].setDatasetSequence(ds);\r
-              alignFrame.viewport.alignment.getDataset().addSequence(ds);\r
-            }\r
-            alignFrame.viewport.setEndSeq(alignFrame.viewport.alignment.\r
-                                          getHeight());\r
-            alignFrame.viewport.alignment.getWidth();\r
-            alignFrame.viewport.firePropertyChange("alignment", null,\r
-            alignFrame.viewport.getAlignment().getSequences());\r
-\r
+            alignFrame.viewport.alignment.addSequence(sequences[i]);\r
+\r
+            ////////////////////////////\r
+            //Datset needs extension;\r
+            /////////////////////////////\r
+            Sequence ds = new Sequence(sequences[i].getName(),\r
+                                       AlignSeq.extractGaps("-. ",\r
+                sequences[i].getSequence()),\r
+                                       sequences[i].getStart(),\r
+                                       sequences[i].getEnd());\r
+            sequences[i].setDatasetSequence(ds);\r
+            alignFrame.viewport.alignment.getDataset().addSequence(ds);\r
           }\r
+          alignFrame.viewport.setEndSeq(alignFrame.viewport.alignment.\r
+                                        getHeight());\r
+          alignFrame.viewport.alignment.getWidth();\r
+          alignFrame.viewport.firePropertyChange("alignment", null,\r
+                                                 alignFrame.viewport.\r
+                                                 getAlignment().getSequences());\r
 \r
-          if (database.getSelectedItem().equals("PDB"))\r
+        }\r
+\r
+        if (database.getSelectedItem().equals("PDB"))\r
+        {\r
+          // Parse out the ids from the structured names\r
+          boolean errors = false;\r
+          for (int i = 0; i < sequences.length; i++)\r
           {\r
-            for (int i = 0; i < sequences.length; i++)\r
+            PDBEntry entry = new PDBEntry();\r
+            com.stevesoft.pat.Regex idbits = new com.stevesoft.pat.Regex(\r
+                "PDB\\|([0-9A-z]{4})\\|(.)");\r
+            if (idbits.search(sequences[i].getName()))\r
             {\r
-              PDBEntry entry = new PDBEntry();\r
-              entry.setId(textfield.getText());\r
+              String pdbid = idbits.substring(1);\r
+              String pdbccode = idbits.substring(2);\r
+              // Construct the PDBEntry\r
+              entry.setId(pdbid);\r
+              if (entry.getProperty() == null)\r
+                entry.setProperty(new Hashtable());\r
+              entry.getProperty().put("chains",\r
+                                      pdbccode\r
+                                      + "=" + sequences[i].getStart()\r
+                                      + "-" + sequences[i].getEnd());\r
               sequences[i].getDatasetSequence().addPDBId(entry);\r
             }\r
+            else\r
+            {\r
+              // don't add an entry for this chain, but this is probably a bug\r
+              // that the user should know about.\r
+              jalview.bin.Cache.log.warn(\r
+                  "No PDBEntry constructed for sequence " + i + " : " +\r
+                  sequences[i].getName());\r
+              errors = true;\r
+            }\r
           }\r
-\r
+          if (errors)\r
+            jalview.bin.Cache.log.warn(\r
+                "Query string that resulted in PDBEntry construction failure was :\n" +\r
+                textfield.getText());\r
         }\r
-        else\r
-          showErrorMessage( "Error retrieving "+textfield.getText()\r
-                            +" from "+database.getSelectedItem());\r
+\r
       }\r
+      else\r
+        showErrorMessage("Error retrieving " + textfield.getText()\r
+                         + " from " + database.getSelectedItem());\r
+    }\r
 \r
-      return sequences;\r
+    return sequences;\r
 \r
   }\r
 \r
   void showErrorMessage(String error)\r
   {\r
     JOptionPane.showInternalMessageDialog(Desktop.desktop,\r
-         error, "Error Retrieving Data", JOptionPane.WARNING_MESSAGE);\r
+                                          error, "Error Retrieving Data",\r
+                                          JOptionPane.WARNING_MESSAGE);\r
   }\r
 }\r
 \r
-\r
-\r
-\r