Class to manage Chemical Smiles entity. (http://www.daylight.com/dayhtml/doc/theory/theory.smiles.html)

Namespace:  Hyleos.Chemistry.Smiles
Assembly:  Hyleos.Chemistry (in Hyleos.Chemistry.dll) Version: 1.0.9.4 (1.0.9.4)

Syntax

C#
public sealed class Smiles
Visual Basic (Declaration)
Public NotInheritable Class Smiles
Visual C++
public ref class Smiles sealed

Remarks

Unique Smiles generation is based on a modified Morgan algorithm

Examples

Usage of Smiles class:
CopyC#
// include Hyleos Assembly
using Hyleos.Chemistry;

// Create Smiles object using an existing <see cref="T:Hyleos.Chemistry.Molecule" /> object to generate a Unique Smiles string
Smiles smi = new Smiles(molecule);
string smilesString = smi.WriteSmiles(true);

// Create Smiles object using an existing <see cref="T:Hyleos.Chemistry.Molecule" /> object to generate a Smiles string
Smiles smi = new Smiles(molecule);
string smilesString = smi.WriteSmiles(false);

Inheritance Hierarchy

System..::.Object
  Hyleos.Chemistry.Smiles..::.Smiles

See Also