Ejemplo n.º 1
0
 /// <summary>
 /// Create bond.
 ///
 /// <param name="atO">Origin atom</param>
 /// <param name="atT">Target atom</param>
 /// <param name="type">Bond type</param>
 /// <param name="stereo">Bond 2D stereo definition</param>
 /// </summary>
 public NInchiBond(NInchiAtom atO, NInchiAtom atT,
                   INCHI_BOND_TYPE type, INCHI_BOND_STEREO stereo)
 {
     this.OriginAtom = atO;
     this.TargetAtom = atT;
     this.BondType   = type;
     this.BondStereo = stereo;
 }
Ejemplo n.º 2
0
        /// <summary>
        /// Create bond.
        ///
        /// <param name="atO">Origin atom</param>
        /// <param name="atT">Target atom</param>
        /// <param name="type">Bond type</param>
        /// </summary>
        public NInchiBond(NInchiAtom atO, NInchiAtom atT,
                          INCHI_BOND_TYPE type)

            : this(atO, atT, type, INCHI_BOND_STEREO.None)
        {
        }