[Cdk-commits] SF.net SVN: cdk: [6787] trunk/cdk/src/org/openscience/cdk/tools

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

Revision: 6787
Author:   egonw
Date:     2006-08-17 04:48:28 -0700 (Thu, 17 Aug 2006)
ViewCVS:  http://svn.sourceforge.net/cdk/?rev=6787&view=rev

Log Message:
-----------
Introduced a IDeduceBondOrderTool interface to make testing them feasible.

Modified Paths:
--------------
    trunk/cdk/src/org/openscience/cdk/tools/SaturationChecker.java
    trunk/cdk/src/org/openscience/cdk/tools/ValencyChecker.java
    trunk/cdk/src/org/openscience/cdk/tools/ValencyHybridChecker.java

Added Paths:
-----------
    trunk/cdk/src/org/openscience/cdk/tools/IDeduceBondOrderTool.java
Added: trunk/cdk/src/org/openscience/cdk/tools/IDeduceBondOrderTool.java
===================================================================
--- trunk/cdk/src/org/openscience/cdk/tools/IDeduceBondOrderTool.java	                        (rev 0)
+++ trunk/cdk/src/org/openscience/cdk/tools/IDeduceBondOrderTool.java	2006-08-17 11:48:28 UTC (rev 6787)
@@ -0,0 +1,44 @@
+/* $Revision: 5940 $ $Author: egonw $ $Date: 2006-04-15 21:58:22 +0200 (Sat, 15 Apr 2006) $
+ *
+ * Copyright (C) 2006  Egon Willighagen <eg...@us...>
+ *
+ * Contact: cdk...@li...
+ *
+ * This program is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
+ * All we ask is that proper credit is given for our work, which includes
+ * - but is not limited to - adding the above copyright notice to the beginning
+ * of your source code files, and to any copyright notice that you may distribute
+ * with programs based on this work.
+ *
+ * This program is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ * GNU Lesser General Public License for more details.
+ *
+ * You should have received a copy of the GNU Lesser General Public License
+ * along with this program; if not, write to the Free Software
+ * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.
+ */
+package org.openscience.cdk.tools;
+
+import org.openscience.cdk.exception.CDKException;
+import org.openscience.cdk.interfaces.IAtomContainer;
+
+/**
+ * A common interface for tools that deduce bond orders from connectivity
+ * and optionally additional information, like number of implicit or
+ * explicit hydrogens, or hybridization states.
+ *
+ * @author      Egon Willighagen
+ * @cdk.created 2006-08-16
+ * @cdk.module  valencycheck
+ */
+public interface IDeduceBondOrderTool {
+
+	public void saturate(IAtomContainer ac) throws CDKException;
+
+}
+

Modified: trunk/cdk/src/org/openscience/cdk/tools/SaturationChecker.java
===================================================================
--- trunk/cdk/src/org/openscience/cdk/tools/SaturationChecker.java	2006-08-15 16:18:47 UTC (rev 6786)
+++ trunk/cdk/src/org/openscience/cdk/tools/SaturationChecker.java	2006-08-17 11:48:28 UTC (rev 6787)
@@ -63,7 +63,7 @@
  * @cdk.module     valencycheck
  * @cdk.bug        1167386
  */
-public class SaturationChecker implements IValencyChecker {
+public class SaturationChecker implements IValencyChecker, IDeduceBondOrderTool {
 
 	AtomTypeFactory structgenATF;
 

Modified: trunk/cdk/src/org/openscience/cdk/tools/ValencyChecker.java
===================================================================
--- trunk/cdk/src/org/openscience/cdk/tools/ValencyChecker.java	2006-08-15 16:18:47 UTC (rev 6786)
+++ trunk/cdk/src/org/openscience/cdk/tools/ValencyChecker.java	2006-08-17 11:48:28 UTC (rev 6787)
@@ -55,7 +55,7 @@
  * 
  * @cdk.module     valencycheck
  */
-public class ValencyChecker implements IValencyChecker {
+public class ValencyChecker implements IValencyChecker, IDeduceBondOrderTool {
 
 	private String atomTypeList = null;
 	protected AtomTypeFactory structgenATF;

Modified: trunk/cdk/src/org/openscience/cdk/tools/ValencyHybridChecker.java
===================================================================
--- trunk/cdk/src/org/openscience/cdk/tools/ValencyHybridChecker.java	2006-08-15 16:18:47 UTC (rev 6786)
+++ trunk/cdk/src/org/openscience/cdk/tools/ValencyHybridChecker.java	2006-08-17 11:48:28 UTC (rev 6787)
@@ -57,7 +57,7 @@
  * @cdk.module   valencycheck
  * @cdk.bug      1174781
  */
-public class ValencyHybridChecker implements IValencyChecker {
+public class ValencyHybridChecker implements IValencyChecker, IDeduceBondOrderTool {
 
 	private String atomTypeList = null;
 	protected AtomTypeFactory structgenATF;


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