Exemplo n.º 1
0
 /// <summary> Creates a tool to add missing hydrogens using a ValencyCheckerInterface.
 ///
 /// </summary>
 /// <seealso cref="org.openscience.cdk.tools.IValencyChecker">
 /// </seealso>
 public HydrogenAdder(System.String valencyCheckerInterfaceClassName)
 {
     //logger = new LoggingTool(this);
     try
     {
         if (valencyCheckerInterfaceClassName.Equals("org.openscience.cdk.tools.ValencyChecker"))
         {
             valencyChecker = new ValencyChecker();
         }
         else if (valencyCheckerInterfaceClassName.Equals("org.openscience.cdk.tools.SaturationChecker"))
         {
             valencyChecker = new SaturationChecker();
         }
         else
         {
             //logger.error("Cannot instantiate unknown ValencyCheckerInterface; using SaturationChecker");
             valencyChecker = new SaturationChecker();
         }
     }
     catch (System.Exception exception)
     {
         //logger.error("Could not intantiate a SaturationChecker.");
         //logger.debug(exception);
     }
 }
Exemplo n.º 2
0
		/// <summary> Creates a tool to add missing hydrogens using a ValencyCheckerInterface.
		/// 
		/// </summary>
		/// <seealso cref="org.openscience.cdk.tools.IValencyChecker">
		/// </seealso>
		public HydrogenAdder(System.String valencyCheckerInterfaceClassName)
		{
			//logger = new LoggingTool(this);
			try
			{
				if (valencyCheckerInterfaceClassName.Equals("org.openscience.cdk.tools.ValencyChecker"))
				{
					valencyChecker = new ValencyChecker();
				}
				else if (valencyCheckerInterfaceClassName.Equals("org.openscience.cdk.tools.SaturationChecker"))
				{
					valencyChecker = new SaturationChecker();
				}
				else
				{
					//logger.error("Cannot instantiate unknown ValencyCheckerInterface; using SaturationChecker");
					valencyChecker = new SaturationChecker();
				}
			}
			catch (System.Exception exception)
			{
				//logger.error("Could not intantiate a SaturationChecker.");
				//logger.debug(exception);
			}
		}
Exemplo n.º 3
0
		/// <summary> Creates a tool to add missing hydrogens using a ValencyCheckerInterface.
		/// 
		/// </summary>
		/// <seealso cref="org.openscience.cdk.tools.IValencyChecker">
		/// </seealso>
		public HydrogenAdder(IValencyChecker valencyChecker)
		{
			//logger = new LoggingTool(this);
			this.valencyChecker = valencyChecker;
		}
Exemplo n.º 4
0
 /// <summary> Creates a tool to add missing hydrogens using a ValencyCheckerInterface.
 ///
 /// </summary>
 /// <seealso cref="org.openscience.cdk.tools.IValencyChecker">
 /// </seealso>
 public HydrogenAdder(IValencyChecker valencyChecker)
 {
     //logger = new LoggingTool(this);
     this.valencyChecker = valencyChecker;
 }