Пример #1
0
 /// <summary> Constructor for the CMLHandler.
 ///
 /// </summary>
 /// <param name="cdo">The Chemical Document Object in which data is stored
 ///
 /// </param>
 public CMLHandler(IChemicalDocumentObject cdo)
 {
     //logger = new LoggingTool(this);
     conv            = new CMLCoreModule(cdo);
     userConventions = System.Collections.Hashtable.Synchronized(new System.Collections.Hashtable());
     xpath           = new CMLStack();
     conventionStack = new CMLStack();
 }
Пример #2
0
 /// <summary> Constructor for the CMLHandler.
 /// 
 /// </summary>
 /// <param name="cdo">The Chemical Document Object in which data is stored
 /// 
 /// </param>
 public CMLHandler(IChemicalDocumentObject cdo)
 {
     //logger = new LoggingTool(this);
     conv = new CMLCoreModule(cdo);
     userConventions = System.Collections.Hashtable.Synchronized(new System.Collections.Hashtable());
     xpath = new CMLStack();
     conventionStack = new CMLStack();
 }
Пример #3
0
 public CMLReactionModule(IChemicalDocumentObject cdo)
     : base(cdo)
 {
 }
Пример #4
0
 public MDLMolConvention(IChemicalDocumentObject cdo)
     : base(cdo)
 {
 }
Пример #5
0
 public virtual void inherit(ICMLModule convention)
 {
     if (convention is CMLCoreModule)
     {
         CMLCoreModule conv = (CMLCoreModule)convention;
         //this.//logger = conv.//logger;
         this.cdo = conv.returnCDO();
         this.BUILTIN = conv.BUILTIN;
         this.atomCounter = conv.atomCounter;
         this.elsym = conv.elsym;
         this.eltitles = conv.eltitles;
         this.elid = conv.elid;
         this.formalCharges = conv.formalCharges;
         this.partialCharges = conv.partialCharges;
         this.isotope = conv.isotope;
         this.x3 = conv.x3;
         this.y3 = conv.y3;
         this.z3 = conv.z3;
         this.x2 = conv.x2;
         this.y2 = conv.y2;
         this.xfract = conv.xfract;
         this.yfract = conv.yfract;
         this.zfract = conv.zfract;
         this.hCounts = conv.hCounts;
         this.atomParities = conv.atomParities;
         this.atomDictRefs = conv.atomDictRefs;
         this.spinMultiplicities = conv.spinMultiplicities;
         this.bondCounter = conv.bondCounter;
         this.bondid = conv.bondid;
         this.bondARef1 = conv.bondARef1;
         this.bondARef2 = conv.bondARef2;
         this.order = conv.order;
         this.bondStereo = conv.bondStereo;
         this.bondDictRefs = conv.bondDictRefs;
         this.curRef = conv.curRef;
         this.unitcellparams = conv.unitcellparams;
         this.inchi = conv.inchi;
     }
     else
     {
         ////logger.warn("Cannot inherit information from module: ", convention.GetType().FullName);
     }
 }
Пример #6
0
 public CMLCoreModule(IChemicalDocumentObject cdo)
 {
     ////logger = new LoggingTool(this);
     this.cdo = cdo;
 }
        //new private LoggingTool //logger;

        public JMOLANIMATIONConvention(IChemicalDocumentObject cdo)
            : base(cdo)
        {
            //logger = new LoggingTool(this);
            current = UNKNOWN;
        }
Пример #8
0
 public PMPConvention(IChemicalDocumentObject cdo)
     : base(cdo)
 {
 }
Пример #9
0
 public PDBConvention(IChemicalDocumentObject cdo)
     : base(cdo)
 {
 }
Пример #10
0
 public CMLReactionModule(IChemicalDocumentObject cdo)
     : base(cdo)
 {
 }
Пример #11
0
 public MDLMolConvention(IChemicalDocumentObject cdo)
     : base(cdo)
 {
 }
        //new private LoggingTool //logger;

        public JMOLANIMATIONConvention(IChemicalDocumentObject cdo)
            : base(cdo)
        {
            //logger = new LoggingTool(this);
            current = UNKNOWN;
        }