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class XyMParser{ public abstract String getCommandName();//For getting a skeleton name. public abstract void reset(); // For resetting an iterator public abstract char getSKBondType(char c);// SKBondType at vertex ‘c’ public abstract String getLink();//For getting the SKBondlist public abstract String getXyl();//For ryl and lyl. public abstract boolean isDBLBond(char DBL); // Flag for a double bond at edge ‘DBL’ public absatract void setDoubleBond(char [] doubleBond); // For setting a double bond at edge ‘doubleBond’ public abstract boolean hasMoreFuse();//One more fusing atom? public abstract char nextFuseLocant();//Locant no. for the fusing structure. public abstract XyMParser getFuseStruct();//For getting a fusing structure. public abstract boolean hasMoreAtom();//For getting the next atom; public abstract SubXyMParser nextAtom();// For getting the next atom. public abstract void setAtom(int locant, String atomGroup); //For setting ‘atomGroup’ at the position ‘locant’ public abstract boolean hasMoreSubs();//One more substituent? public abstract SubXyMParser nextSubs();//One more substituent? public abstract int getYlLocant();//For getting the locant no. of yl function. public abstract char getFusingLocant(); //For getting the locant no. of a fusing position. public abstract void makeOmit(char c);// Flag for bond deletion at edge ‘c’. public abstract boolean isOmit(char omit);//For deleting a bond at edge ‘omit’. } abstract class SubXyMParser{ abstract public boolean isStruct();//Structure? abstract public XyMParser getStruct();//For getting a structure. abstract public int getLocant();//For getting a locant number. abstract public String getMod();//For getting a bond modifier. abstract public String getAtomicGroup();//For getting a functional group. } Figure 6. Codes of XyMParser and SubXyMParser Class. Creation of a Chemical Model The class diagram of the XyMJava package is shown

XyMJava System for World Wide Web Communication of Organic Chemical Structures