[Cdk-commits] SF.net SVN: cdk: [9799] trunk/cdk/src/org/openscience/cdk/qsar/descriptors/ atomic

[<eg...@us...>]

Revision: 9799
          http://cdk.svn.sourceforge.net/cdk/?rev=9799&view=rev
Author:   egonw
Date:     2008-01-02 03:00:36 -0800 (Wed, 02 Jan 2008)

Log Message:
-----------
Fixed parameter specs

Modified Paths:
--------------
    trunk/cdk/src/org/openscience/cdk/qsar/descriptors/atomic/PartialPiChargeDescriptor.java
    trunk/cdk/src/org/openscience/cdk/qsar/descriptors/atomic/PartialSigmaChargeDescriptor.java

Modified: trunk/cdk/src/org/openscience/cdk/qsar/descriptors/atomic/PartialPiChargeDescriptor.java
===================================================================
--- trunk/cdk/src/org/openscience/cdk/qsar/descriptors/atomic/PartialPiChargeDescriptor.java	2008-01-02 10:46:04 UTC (rev 9798)
+++ trunk/cdk/src/org/openscience/cdk/qsar/descriptors/atomic/PartialPiChargeDescriptor.java	2008-01-02 11:00:36 UTC (rev 9799)
@@ -139,8 +139,10 @@
     @TestMethod(value="testGetParameters")
     public Object[] getParameters() {
         // return the parameters as used for the descriptor calculation
-        Object[] params = new Object[1];
+        Object[] params = new Object[3];
         params[0] = maxIterations;
+        params[1] = lpeChecker;
+        params[2] = maxResonStruc;
         return params;
     }
 
@@ -192,8 +194,10 @@
      */
     @TestMethod(value="testGetParameterNames")
     public String[] getParameterNames() {
-    	String[] params = new String[1];
+    	String[] params = new String[3];
         params[0] = "maxIterations";
+        params[1] = "lpeChecker";
+        params[2] = "maxResonStruc";
         return params;
     }
 
@@ -207,7 +211,10 @@
      */
     @TestMethod(value="testGetParameterType_String")
     public Object getParameterType(String name) {
-        return new Integer[]{0};
+    	if ("maxIterations".equals(name)) return Integer.MAX_VALUE;
+    	if ("lpeChecker".equals(name)) return Boolean.TRUE;
+    	if ("maxResonStruc".equals(name)) return Integer.MAX_VALUE;
+        return null;
     }
 }
 

Modified: trunk/cdk/src/org/openscience/cdk/qsar/descriptors/atomic/PartialSigmaChargeDescriptor.java
===================================================================
--- trunk/cdk/src/org/openscience/cdk/qsar/descriptors/atomic/PartialSigmaChargeDescriptor.java	2008-01-02 10:46:04 UTC (rev 9798)
+++ trunk/cdk/src/org/openscience/cdk/qsar/descriptors/atomic/PartialSigmaChargeDescriptor.java	2008-01-02 11:00:36 UTC (rev 9799)
@@ -109,7 +109,7 @@
             throw new CDKException("PartialSigmaChargeDescriptor only expects one parameter");
         }
         if (!(params[0] instanceof Integer)) {
-            throw new CDKException("The parameter 2 must be of type Integer");
+            throw new CDKException("The parameter 1 must be of type Integer");
         }
         maxIterations = (Integer) params[0];
     }
@@ -124,7 +124,7 @@
     public Object[] getParameters() {
         // return the parameters as used for the descriptor calculation
         Object[] params = new Object[1];
-        params[0] = maxIterations;
+        params[0] = (Integer)maxIterations;
         return params;
     }
 
@@ -185,7 +185,8 @@
      */
     @TestMethod(value="testGetParameterType_String")
     public Object getParameterType(String name) {
-        return new Integer[]{0};
+    	if ("maxIterations".equals(name)) return Integer.MAX_VALUE;
+        return null;
     }
 }
 


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