Method to get the principal axis index from a RotationGroup

lafita · lafita · commit f2ebc2eae82b · 2015-09-14T17:09:24.000+02:00
diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/align/multiple/MultipleAlignmentEnsembleImpl.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/align/multiple/MultipleAlignmentEnsembleImpl.java
@@ -154,6 +154,8 @@ public MultipleAlignmentEnsembleImpl(
 					blockTr = Calc.getTransformation(rot[bs], shift[bs]);
 				} catch (IndexOutOfBoundsException e){
 					blockTr = ident;
+				} catch (NullPointerException e){
+					blockTr = ident;
 				}
 				blockSet.setTransformations(Arrays.asList(ident, blockTr));
 				Block block = new BlockImpl(blockSet);
@@ -181,6 +183,8 @@ public MultipleAlignmentEnsembleImpl(
 				blockTr = Calc.getTransformation(rot[0], shift[0]);
 			} catch (IndexOutOfBoundsException e){
 				blockTr = ident;
+			} catch (NullPointerException e){
+				blockTr = ident;
 			}
 			blockSet.setTransformations(Arrays.asList(ident, blockTr));
 			for (int bs=0; bs<afp.getBlockNum(); bs++){
diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/symmetry/core/RotationGroup.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/symmetry/core/RotationGroup.java
@@ -307,6 +307,10 @@ public int getHigherOrderRotationAxis(){
 	public int getTwoFoldsPerpendicular(){
 		return twoFoldsPerpendicular;
 	}
+	
+	public int getPrincipalAxisIndex(){
+		return principalAxisIndex;
+	}
 
 	private void calcPointGroup() {
 		complete = false;
