void setMol(IAtomContainer mol) {
        this.mol = mol;
        Arrays.fill(amap, -1);
        numMapped = 0;
        this.avisit = new boolean[mol.getAtomCount()];
        sptr = 0;
        store(0, null);
    }
void setMol ( IAtomContainer mol ) { this . mol = mol ; Arrays . fill ( amap , - 1 ) ; numMapped = 0 ; this . avisit = new boolean [ mol . getAtomCount ( ) ] ; sptr = 0 ; store ( 0 , null ) ; }
Set the molecule to be matched.
@param mol the molecule