JAL-1517 update copyright to version 2.8.2

[jalview.git] / src / jalview / schemes / ResidueProperties.java

diff --git a/src/jalview/schemes/ResidueProperties.java b/src/jalview/schemes/ResidueProperties.java
index 7dd6520..301a410 100755 (executable)
--- a/src/jalview/schemes/ResidueProperties.java
+++ b/src/jalview/schemes/ResidueProperties.java
@@ -1,5 +1,5 @@
 /*
- * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8.1)
+ * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8.2)
  * Copyright (C) 2014 The Jalview Authors
  * 
  * This file is part of Jalview.
@@ -1425,14 +1425,12 @@ public class ResidueProperties
             propMatrixEpos = new int[maxProteinIndex][maxProteinIndex];
     for (int i=0;i<maxProteinIndex;i++)
     {
+      int maxF=0,maxP=0,maxEP=0;
       String ic="";
       if (aa.length>i) {
         ic+=aa[i];
       }
       else {ic = "-";}
-      propMatrixF[i][i]=propHash.size();
-      propMatrixPos[i][i]=propHash.size();
-      propMatrixEpos[i][i]=propHash.size();
       for (int j=i+1;j<maxProteinIndex; j++)
       {
         String jc="";
@@ -1449,20 +1447,35 @@ public class ResidueProperties
           Map<String,Integer> pph=(Map<String,Integer>)propHash.get(ph);
           if (pph.get(ic)!=null && pph.get(jc)!=null) {
             int icp=pph.get(ic).intValue(),jcp=pph.get(jc).intValue();
-
-            propMatrixPos[i][j] += icp == jcp ? icp : -1;
-            propMatrixPos[j][i] += icp == jcp ? icp : -1;
-            propMatrixF[i][j] += icp == jcp ? 2 : -1;
-            propMatrixF[j][i] += icp == jcp ? 2 : -1;
-            propMatrixEpos[i][j] += icp == jcp ? (1+icp * 2) : -1;
-            propMatrixEpos[j][i] += icp == jcp ? (1+icp * 2) : -1;
+            // Still working on these definitions.
+            propMatrixPos[i][j] += icp == jcp && icp>0 ? 2 : 0;
+            propMatrixPos[j][i] += icp == jcp && icp>0 ? 2 : 0;
+            propMatrixF[i][j] += icp == jcp ? 2 : 0;
+            propMatrixF[j][i] += icp == jcp ? 2 : 0;
+            propMatrixEpos[i][j] += icp == jcp ? (1+icp * 2) : 0;
+            propMatrixEpos[j][i] += icp == jcp ? (1+icp * 2) : 0;
         }}
+        if (maxF<propMatrixF[i][j])
+        {
+          maxF=propMatrixF[i][j];
+        }
+        if (maxP<propMatrixPos[i][j])
+        {
+          maxP=propMatrixPos[i][j];
+        }
+        if (maxEP<propMatrixEpos[i][j])
+        {
+          maxEP=propMatrixEpos[i][j];
+        }
       }
+      propMatrixF[i][i]=maxF;
+      propMatrixPos[i][i]=maxP;
+      propMatrixEpos[i][i]=maxEP;
     }
-    
-    scoreMatrices.put("Conservation Pos", new ScoreMatrix("Conservation Pos",propMatrixF,0));
-    scoreMatrices.put("Conservation Both", new ScoreMatrix("Conservation Both",propMatrixPos,0));
-    scoreMatrices.put("Conservation EnhPos", new ScoreMatrix("Conservation EnhPos",propMatrixEpos,0));
+    // JAL-1512 comment out physicochemical score matrices for 2.8.1 release
+    //scoreMatrices.put("Conservation Pos", new ScoreMatrix("Conservation Pos",propMatrixPos,0));
+    //scoreMatrices.put("Conservation Both", new ScoreMatrix("Conservation Both",propMatrixF,0));
+    //scoreMatrices.put("Conservation EnhPos", new ScoreMatrix("Conservation EnhPos",propMatrixEpos,0));
     scoreMatrices.put("PID", new PIDScoreModel());
   }
 
@@ -1666,9 +1679,68 @@ public class ResidueProperties
   public static Hashtable toRNAssState;
   static
   {
-    toRNAssState = new Hashtable();
-    toRNAssState.put(")", "S");
-    toRNAssState.put("(", "S");
+       toRNAssState = new Hashtable<String,String>();
+    toRNAssState.put(")", "(");
+    toRNAssState.put("(", "(");
+    toRNAssState.put("]", "[");
+    toRNAssState.put("[", "[");
+    toRNAssState.put("{", "{");
+    toRNAssState.put("}", "{");
+    toRNAssState.put(">", ">");
+    toRNAssState.put("<", ">");
+    toRNAssState.put("A", "A");
+    toRNAssState.put("a", "A");
+    toRNAssState.put("B", "B");
+    toRNAssState.put("b", "B");
+    toRNAssState.put("C", "C");
+    toRNAssState.put("c", "C");
+    toRNAssState.put("D", "D");
+    toRNAssState.put("d", "D");
+    toRNAssState.put("E", "E");
+    toRNAssState.put("e", "E");
+    toRNAssState.put("F", "F");
+    toRNAssState.put("f", "F");
+    toRNAssState.put("G", "G");
+    toRNAssState.put("g", "G");
+    toRNAssState.put("H", "H");
+    toRNAssState.put("h", "H");
+    toRNAssState.put("I", "I");
+    toRNAssState.put("i", "I");
+    toRNAssState.put("J", "J");
+    toRNAssState.put("j", "J");
+    toRNAssState.put("K", "K");
+    toRNAssState.put("k", "K");
+    toRNAssState.put("L", "L");
+    toRNAssState.put("l", "L");
+    toRNAssState.put("M", "M");
+    toRNAssState.put("m", "M");
+    toRNAssState.put("N", "N");
+    toRNAssState.put("n", "N");
+    toRNAssState.put("O", "O");
+    toRNAssState.put("o", "O");
+    toRNAssState.put("P", "P");
+    toRNAssState.put("p", "P");
+    toRNAssState.put("Q", "Q");
+    toRNAssState.put("q", "Q");
+    toRNAssState.put("R", "R");
+    toRNAssState.put("r", "R");
+    toRNAssState.put("S", "S");
+    toRNAssState.put("s", "S");
+    toRNAssState.put("T", "T");
+    toRNAssState.put("t", "T");
+    toRNAssState.put("U", "U");
+    toRNAssState.put("u", "U");
+    toRNAssState.put("V", "V");
+    toRNAssState.put("v", "V");
+    toRNAssState.put("W", "W");
+    toRNAssState.put("w", "W");
+    toRNAssState.put("X", "X");
+    toRNAssState.put("x", "X");
+    toRNAssState.put("Y", "Y");
+    toRNAssState.put("y", "Y");
+    toRNAssState.put("Z", "Z");
+    toRNAssState.put("z", "Z");
+    
   }
 
   /**