X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2FMCview%2FAtom.java;h=a2ce2aea08d761263c1626f6e1a026d9e49ba557;hb=39b4859e1a1b011af5d06058461db4d075acb578;hp=894984a630c12fdcfdc6fecb10e2f2c793318f18;hpb=612d6d9a9b5158a45c059e7448238a0b64bb2962;p=jalview.git

diff --git a/src/MCview/Atom.java b/src/MCview/Atom.java
index 894984a..a2ce2ae 100755
--- a/src/MCview/Atom.java
+++ b/src/MCview/Atom.java
@@ -20,6 +20,8 @@
  */
 package MCview;
 
+import jalview.schemes.ResidueProperties;
+
 import java.awt.Color;
 
 public class Atom
@@ -73,20 +75,22 @@ public class Atom
     name = str.substring(12, 15).trim();
 
     resName = str.substring(17, 20);
+    // JAL-1828 treat MSE Selenomethionine as MET (etc)
+    resName = ResidueProperties.getCanonicalAminoAcid(resName);
 
     chain = str.substring(21, 22);
 
     resNumber = Integer.parseInt(str.substring(22, 26).trim());
-    resNumIns = str.substring(22, 27);
+    resNumIns = str.substring(22, 27).trim();
     insCode = str.substring(26, 27).charAt(0);
-    this.x = (new Float(str.substring(30, 38).trim()).floatValue());
-    this.y = (new Float(str.substring(38, 46).trim()).floatValue());
-    this.z = (new Float(str.substring(47, 55).trim()).floatValue());
+    this.x = (Float.valueOf(str.substring(30, 38).trim()).floatValue());
+    this.y = (Float.valueOf(str.substring(38, 46).trim()).floatValue());
+    this.z = (Float.valueOf(str.substring(47, 55).trim()).floatValue());
     // optional entries - see JAL-730
     String tm = str.substring(54, 60).trim();
     if (tm.length() > 0)
     {
-      occupancy = (new Float(tm)).floatValue();
+      occupancy = (Float.valueOf(tm)).floatValue();
     }
     else
     {
@@ -96,7 +100,7 @@ public class Atom
     tm = str.substring(60, 66).trim();
     if (tm.length() > 0)
     {
-      tfactor = (new Float(tm).floatValue());
+      tfactor = (Float.valueOf(tm).floatValue());
     }
     else
     {
@@ -105,6 +109,24 @@ public class Atom
     }
   }
 
+  @Override
+  public boolean equals(Object that)
+  {
+    if (this == that || that == null)
+    {
+      return true;
+    }
+    if (that instanceof Atom)
+    {
+      Atom other = (Atom) that;
+      return other.resName.equals(this.resName)
+              && other.resNumber == this.resNumber
+              && other.resNumIns.equals(this.resNumIns)
+              && other.chain.equals(this.chain);
+    }
+    return false;
+  }
+
   public Atom(float x, float y, float z)
   {
     this.x = x;