[Cdk-commits] SF.net SVN: cdk: [6499] trunk/cdk/src/org/openscience/cdk/tools/DataFeatures.java

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

Revision: 6499
Author:   egonw
Date:     2006-06-23 02:39:10 -0700 (Fri, 23 Jun 2006)
ViewCVS:  http://svn.sourceforge.net/cdk/?rev=6499&view=rev

Log Message:
-----------
More features defined, and example code in JavaDoc.

Modified Paths:
--------------
    trunk/cdk/src/org/openscience/cdk/tools/DataFeatures.java
Modified: trunk/cdk/src/org/openscience/cdk/tools/DataFeatures.java
===================================================================
--- trunk/cdk/src/org/openscience/cdk/tools/DataFeatures.java	2006-06-23 09:38:31 UTC (rev 6498)
+++ trunk/cdk/src/org/openscience/cdk/tools/DataFeatures.java	2006-06-23 09:39:10 UTC (rev 6499)
@@ -33,6 +33,13 @@
  * a Data Feature Ontology. Actual integers are random
  * and should <b>not</b> be used directly.
  * 
+ * <p>To test wether a IChemFormat supports a certain feature, the
+ * following code can be used:
+ * <pre>
+ * int features = new XYZFormat().getSupportedDataFeatures();
+ * boolean has3DCoords = (features & HAS_3D_COORDINATES) == HAS_3D_COORDINATES;
+ * </pre>
+ * 
  * @author Egon Willighagen <ewi...@un...>
  * @cdk.module core
  **/
@@ -40,17 +47,30 @@
 
     public final static int NONE = 0;
     
+    // The int allows for up to 750 different properties. Should
+    // be enough for now.
+    
     // COORDINATE SYSTEMS
-    public final static int HAS_2D_COORDINATES = 1;
-    public final static int HAS_3D_COORDINATES = 2;
+    public final static int HAS_2D_COORDINATES = 1<<0;
+    public final static int HAS_3D_COORDINATES = 1<<1;
+    public final static int HAS_FRACTIONAL_CRYSTAL_COORDINATES = 1<<2;
     
+    // ATOMIC FEATURES
+    //                      HAS_ATOMS ??
+    //                      HAS_ATOM_ELEMENT_SYMBOLS ??
+    public final static int HAS_ATOM_PARTIAL_CHARGES = 1<<3;
+    public final static int HAS_ATOM_FORMAL_CHARGES = 1<<4;
+    public final static int HAS_ATOM_HYBRIDIZATIONS = 1<<5;
+    public final static int HAS_ATOM_MASS_NUMBERS = 1<<6;
+    public final static int HAS_ATOM_ISOTOPE_NUMBERS = 1<<7;
+    
     // GRAPH FEATURES
-    public final static int HAS_GRAPH_REPRESENTATION = 4;
-    public final static int HAS_DIETZ_REPRESENTATION = 8;
+    public final static int HAS_GRAPH_REPRESENTATION = 1<<8;
+    public final static int HAS_DIETZ_REPRESENTATION = 1<<9;
     
     // MODEL FEATURES
-    public final static int HAS_CRYSTALS = 16;
-    public final static int HAS_REACTIONS = 32;
+    public final static int HAS_UNITCELL_PARAMETERS = 1<<10;
+    public final static int HAS_REACTIONS = 1<<11;
 	
 }
 


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