Revert "automatically set atomic number when given an element symbol,…

… fixes bug/1296" This reverts commit 2d80a80.
cdk · Apr 20, 2013 · 94f02e5 · 94f02e5
1 parent e29adca
commit 94f02e5
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Showing 3 changed files with 6 additions and 17 deletions.
diff --git a/src/main/org/openscience/cdk/Element.java b/src/main/org/openscience/cdk/Element.java
@@ -25,7 +25,6 @@
 package org.openscience.cdk;
 
 import org.openscience.cdk.interfaces.IElement;
-import org.openscience.cdk.tools.periodictable.PeriodicTable;
 
 import java.io.Serializable;
 
@@ -94,7 +93,8 @@ public Element(IElement element) {
      * @param   symbol The element symbol that this element should have.  
      */
     public Element(String symbol) {
-        this(symbol, PeriodicTable.getAtomicNumber(symbol));
+        this();
+        this.symbol = symbol;
     }
 
     /**
@@ -105,7 +105,7 @@ public Element(String symbol) {
      * @param   atomicNumber  The atomicNumber of this element.
      */
     public Element(String symbol, Integer atomicNumber) {
-        this.symbol       = symbol;
+        this(symbol);
         this.atomicNumber = atomicNumber;
     }
 

diff --git a/src/main/org/openscience/cdk/silent/Element.java b/src/main/org/openscience/cdk/silent/Element.java
@@ -23,7 +23,6 @@
 
 import org.openscience.cdk.CDKConstants;
 import org.openscience.cdk.interfaces.IElement;
-import org.openscience.cdk.tools.periodictable.PeriodicTable;
 
 /**
  * Implements the idea of an element in the periodic table.
@@ -90,7 +89,8 @@ public Element(IElement element) {
      * @param   symbol The element symbol that this element should have.  
      */
     public Element(String symbol) {
-        this(symbol, PeriodicTable.getAtomicNumber(symbol));
+        this();
+        this.symbol = symbol;
     }
 
     /**
@@ -101,7 +101,7 @@ public Element(String symbol) {
      * @param   atomicNumber  The atomicNumber of this element.
      */
     public Element(String symbol, Integer atomicNumber) {
-        this.symbol       = symbol;
+        this(symbol);
         this.atomicNumber = atomicNumber;
     }
 

diff --git a/src/test/org/openscience/cdk/tools/manipulator/MolecularFormulaManipulatorTest.java b/src/test/org/openscience/cdk/tools/manipulator/MolecularFormulaManipulatorTest.java
@@ -1098,15 +1098,4 @@ public void testImplicitH() throws Exception {
         Assert.assertEquals("C6H6", MolecularFormulaManipulator.getString(f));
 
     }
-
-    /**
-     * @cdk.bug 1296
-     */
-    @Test public void bug1296() {
-        IAtomContainer container = MolecularFormulaManipulator.getAtomContainer("C8H10N4O2",
-                                                                                DefaultChemObjectBuilder.getInstance());
-        for(IAtom a : container.atoms()){
-            Assert.assertNotNull(a.getAtomicNumber());
-        }
-    }
 }