Helper Static method to work with Chemical Item

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

Syntax

C#
public static class MoleculeHelper
Visual Basic (Declaration)
Public NotInheritable Class MoleculeHelper
Visual C++
public ref class MoleculeHelper abstract sealed

Examples

Exemple using MDL-Molecule file to generate a smiles string :
CopyC#
 // include Hyleos Assembly
 using Hyleos.Chemistry;
 using Hyleos.Chemistry.Helper;

try
{
    // Init Molecule object, Read and analyse contents of a Molecule File
    Molecule chemistry = MoleculeHelper.ReadMDLMolFile(filename);

    // Convert Readed molecule as smiles string
    string smi = MoleculeHelper.MolToSmile(chemistry);

}
catch(Exception e)
{
    // manage error
}

Examples

Exemple using MolAnalysis to generate Formula and Composition :
CopyC#
 // include Hyleos Assembly
 using Hyleos.Chemistry;
 using Hyleos.Chemistry.Helper;

try
{
    // Init Molecule object, Read and analyse contents of a Molecule File
    Molecule chemistry = MoleculeHelper.ReadMDLMolFile(filename);

    // Generates molecular formula
    string formula = MoleculeHelper.MolFormula(chemistry);

    // Generates molecular composition
    string composition = MoleculeHelper.MolComposition(chemistry);

}
catch(Exception e)
{
    // manage error
}

Inheritance Hierarchy

System..::.Object
  Hyleos.Chemistry.Helper..::.MoleculeHelper

See Also