Updated Atom(String) constructor to call the Atom(Element) constructo…

…r, so that even if we instantiate an atom just by symbol we still get an atomic number. Needed to update the Element constructor to accept Integer Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
cdk · Dec 10, 2010 · e5951db · e5951db
1 parent 91ca909
commit e5951db
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Showing 2 changed files with 8 additions and 8 deletions.
diff --git a/src/main/org/openscience/cdk/Atom.java b/src/main/org/openscience/cdk/Atom.java
@@ -24,13 +24,13 @@
  */
 package org.openscience.cdk;
 
-import java.io.Serializable;
+import org.openscience.cdk.interfaces.IAtom;
+import org.openscience.cdk.interfaces.IElement;
+import org.openscience.cdk.tools.periodictable.PeriodicTable;
 
 import javax.vecmath.Point2d;
 import javax.vecmath.Point3d;
-
-import org.openscience.cdk.interfaces.IAtom;
-import org.openscience.cdk.interfaces.IElement;
+import java.io.Serializable;
 
 /**
  * Represents the idea of an chemical atom.
@@ -119,7 +119,7 @@ public Atom() {
      * @param elementSymbol The String describing the element for the Atom
      */
     public Atom(String elementSymbol) {
-        super(elementSymbol);      
+        this(new Element(elementSymbol, PeriodicTable.getAtomicNumber(elementSymbol)));      
     }
 
     /**
@@ -214,7 +214,7 @@ public Double getCharge() {
          *
          * @param  hydrogenCount  The number of hydrogen atoms bonded to this atom.
          *
-         * @see    #getHydrogenCount
+         * @see    #getImplicitHydrogenCount
          */
         public void setImplicitHydrogenCount(Integer hydrogenCount) {
         	this.hydrogenCount = hydrogenCount;
@@ -226,7 +226,7 @@ public void setImplicitHydrogenCount(Integer hydrogenCount) {
          *
          * @return    The hydrogen count of this atom.
          *
-         * @see       #setHydrogenCount
+         * @see       #setImplicitHydrogenCount
          */
         public Integer getImplicitHydrogenCount() {
         	return this.hydrogenCount;

diff --git a/src/main/org/openscience/cdk/Element.java b/src/main/org/openscience/cdk/Element.java
@@ -104,7 +104,7 @@ public Element(String symbol) {
      * @param   symbol  The element symbol of this element.
      * @param   atomicNumber  The atomicNumber of this element.
      */
-    public Element(String symbol, int atomicNumber) {
+    public Element(String symbol, Integer atomicNumber) {
         this(symbol);
         this.atomicNumber = atomicNumber;
     }