Class to computes Formula and element composition

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

Syntax

C#
public class MolAnalysis
Visual Basic (Declaration)
Public Class MolAnalysis
Visual C++
public ref class MolAnalysis

Examples

Composition :
CopyC#
 // include Hyleos Assembly
 using Hyleos.Chemistry;

try
{
    // Create CTab object
    Molecule mol = new Molecule();
    // Read and analyse contents of a Mol File
    MDL.ReadMolFile(mol, filename);
    // Check if we have at least one atom
    if (mol.CountAtoms > 0)
    {
        // Init MolComposition add-in
        MolAnalysis molComposition = new MolAnalysis(molecule);
        string composition = molComposition.Composition;
    }
}
catch(Exception e)
{
    // manage error
}

Examples

Formula :
CopyC#
 // include Hyleos Assembly
 using Hyleos.Chemistry;

try
{
    // Create CTab object
    Molecule mol = new Molecule();
    // Read and analyse contents of a Mol File
    MDL.ReadMolFile(mol, filename);
    // Check if we have at least one atom
    if (mol.CountAtoms > 0)
    {
        // Init MolComposition add-in
        MolAnalysis molComposition = new MolAnalysis(molecule);
        string formula = molComposition.Formula;
    }
}
catch(Exception e)
{
    // manage error
}

Inheritance Hierarchy

System..::.Object
  Hyleos.Chemistry..::.MolAnalysis

See Also