Merge branch 'develop' into spike/JAL-4047/JAL-4048_columns_in_sequenceID

[jalview.git] / src / jalview / ws / dbsources / EBIAlfaFold.java

diff --git a/src/jalview/ws/dbsources/EBIAlfaFold.java b/src/jalview/ws/dbsources/EBIAlfaFold.java
index d9cbbd9..6b27488 100644 (file)
--- a/src/jalview/ws/dbsources/EBIAlfaFold.java
+++ b/src/jalview/ws/dbsources/EBIAlfaFold.java
@@ -44,6 +44,7 @@ import jalview.datamodel.AlignmentAnnotation;
 import jalview.datamodel.AlignmentI;
 import jalview.datamodel.ContactMatrixI;
 import jalview.datamodel.DBRefEntry;
+import jalview.datamodel.GroupSet;
 import jalview.datamodel.PDBEntry;
 import jalview.datamodel.SequenceFeature;
 import jalview.datamodel.SequenceI;
@@ -175,7 +176,7 @@ public class EBIAlfaFold extends EbiFileRetrievedProxy
 
     if (!isValidReference(id))
     {
-      System.err.println(
+      jalview.bin.Console.errPrintln(
               "(AFClient) Ignoring invalid alphafold query: '" + id + "'");
       stopQuery();
       return null;
@@ -294,11 +295,12 @@ public class EBIAlfaFold extends EbiFileRetrievedProxy
           AlignmentI pdbAlignment, String retrievalUrl) throws IOException
   {
     File pae = fetchAlphaFoldPAE(id, retrievalUrl);
-    addAlphaFoldPAE(pdbAlignment, pae, 0, null, false, false);
+    addAlphaFoldPAE(pdbAlignment, pae, 0, null, false, false, null);
   }
 
   public static void addAlphaFoldPAE(AlignmentI pdbAlignment, File pae,
-          int index, String id, boolean isStruct, boolean isStructId)
+          int index, String id, boolean isStruct, boolean isStructId,
+          String label)
   {
     FileInputStream paeInput = null;
     try
@@ -313,12 +315,14 @@ public class EBIAlfaFold extends EbiFileRetrievedProxy
 
     if (isStruct)
     {
+      // ###### WRITE A TEST for this bit of the logic addAlphaFoldPAE with
+      // different params.
       StructureSelectionManager ssm = StructureSelectionManager
               .getStructureSelectionManager(Desktop.instance);
       if (ssm != null)
       {
         String structFilename = isStructId ? ssm.findFileForPDBId(id) : id;
-        addPAEToStructure(ssm, structFilename, pae);
+        addPAEToStructure(ssm, structFilename, pae, label);
       }
 
     }
@@ -328,7 +332,7 @@ public class EBIAlfaFold extends EbiFileRetrievedProxy
       try
       {
         if (!importPaeJSONAsContactMatrixToSequence(pdbAlignment, paeInput,
-                index, id))
+                index, id, label))
         {
           Console.warn("Could not import contact matrix from '"
                   + pae.getAbsolutePath() + "' to sequence.");
@@ -347,7 +351,7 @@ public class EBIAlfaFold extends EbiFileRetrievedProxy
   }
 
   public static void addPAEToStructure(StructureSelectionManager ssm,
-          String structFilename, File pae)
+          String structFilename, File pae, String label)
   {
     FileInputStream paeInput = null;
     try
@@ -370,7 +374,8 @@ public class EBIAlfaFold extends EbiFileRetrievedProxy
 
       try
       {
-        if (!importPaeJSONAsContactMatrixToStructure(smArray, paeInput))
+        if (!importPaeJSONAsContactMatrixToStructure(smArray, paeInput,
+                label))
         {
           Console.warn("Could not import contact matrix from '"
                   + pae.getAbsolutePath() + "' to structure.");
@@ -400,7 +405,7 @@ public class EBIAlfaFold extends EbiFileRetrievedProxy
    */
   public static boolean importPaeJSONAsContactMatrixToSequence(
           AlignmentI pdbAlignment, InputStream pae_input, int index,
-          String seqId) throws IOException, ParseException
+          String seqId, String label) throws IOException, ParseException
   {
     SequenceI sequence = null;
     if (seqId == null)
@@ -427,12 +432,13 @@ public class EBIAlfaFold extends EbiFileRetrievedProxy
       return false;
     }
     return importPaeJSONAsContactMatrixToSequence(pdbAlignment, pae_input,
-            sequence);
+            sequence, label);
   }
 
   public static boolean importPaeJSONAsContactMatrixToSequence(
           AlignmentI pdbAlignment, InputStream pae_input,
-          SequenceI sequence) throws IOException, ParseException
+          SequenceI sequence, String label)
+          throws IOException, ParseException
   {
     JSONObject paeDict = parseJSONtoPAEContactMatrix(pae_input);
     if (paeDict == null)
@@ -442,9 +448,10 @@ public class EBIAlfaFold extends EbiFileRetrievedProxy
     }
     ContactMatrixI matrix = new PAEContactMatrix(sequence,
             (Map<String, Object>) paeDict);
-    ((PAEContactMatrix) matrix).makeGroups(5f, true);
 
     AlignmentAnnotation cmannot = sequence.addContactList(matrix);
+    if (label != null)
+      cmannot.label = label;
     pdbAlignment.addAnnotation(cmannot);
 
     return true;
@@ -469,22 +476,23 @@ public class EBIAlfaFold extends EbiFileRetrievedProxy
     return paeDict;
   }
 
+  // ###### TEST THIS
   public static boolean importPaeJSONAsContactMatrixToStructure(
-          StructureMapping[] smArray, InputStream paeInput)
+          StructureMapping[] smArray, InputStream paeInput, String label)
           throws IOException, ParseException
   {
     boolean someDone = false;
     for (StructureMapping sm : smArray)
     {
       boolean thisDone = importPaeJSONAsContactMatrixToStructure(sm,
-              paeInput);
+              paeInput, label);
       someDone |= thisDone;
     }
     return someDone;
   }
 
   public static boolean importPaeJSONAsContactMatrixToStructure(
-          StructureMapping sm, InputStream paeInput)
+          StructureMapping sm, InputStream paeInput, String label)
           throws IOException, ParseException
   {
     JSONObject pae_obj = parseJSONtoPAEContactMatrix(paeInput);
@@ -494,12 +502,13 @@ public class EBIAlfaFold extends EbiFileRetrievedProxy
       return false;
     }
 
-    ContactMatrixI matrix = new PAEContactMatrix(sm.getSequence(),
+    SequenceI seq = sm.getSequence();
+    ContactMatrixI matrix = new PAEContactMatrix(seq,
             (Map<String, Object>) pae_obj);
-    ((PAEContactMatrix) matrix).makeGroups(5f, true);
     AlignmentAnnotation cmannot = sm.getSequence().addContactList(matrix);
-    sm.getSequence().addAlignmentAnnotation(cmannot);
-
+    /* this already happens in Sequence.addContactList()
+     seq.addAlignmentAnnotation(cmannot);
+     */
     return true;
   }