public MockAtomProvider()
{
IElementProvider elementProvider = new MockElementProvider();
_atoms = new UnimodCompositionAtom[128];
_atoms['H'] = new UnimodCompositionAtom("H", "Hydrogen", new[] {
new EntityCardinality <IElement>(elementProvider.GetElement(1), 1)
});
_atoms['C'] = new UnimodCompositionAtom("C", "Carbon", new[] {
new EntityCardinality <IElement>(elementProvider.GetElement(6), 1)
});
_atoms['O'] = new UnimodCompositionAtom("O", "Oxygen", new[] {
new EntityCardinality <IElement>(elementProvider.GetElement(8), 1)
});
// dHex(Fucose) C6H12O5 - H20 = C6H10O4
_atoms['d'] = new UnimodCompositionAtom("dHex", "Deoxy-hexose", new[]
{
new EntityCardinality <IElement>(elementProvider.GetElement(6), 6),
new EntityCardinality <IElement>(elementProvider.GetElement(1), 10),
new EntityCardinality <IElement>(elementProvider.GetElement(8), 4),
});
_carbon13 = new UnimodCompositionAtom("13C", "Carbon 13", new[] {
new EntityCardinality <IElement>(elementProvider.GetElement(6, 13), 1)
});
}
/// <summary>
/// Initializes a new instance of the <see cref="MockUnimodCompositionAtomProvider"/> class.
/// </summary>
/// <param name="elementProvider">The element provider.</param>
public MockUnimodCompositionAtomProvider(IElementProvider elementProvider)
{
_elementProvider = elementProvider;
_hydrogen = new UnimodCompositionAtom("H", "Hydrogen", new[]
{
new EntityCardinality <IElement>(_elementProvider.GetElement(1), 1)
});
_carbon = new UnimodCompositionAtom("C", "Carbon", new[]
{
new EntityCardinality <IElement>(_elementProvider.GetElement(6), 1)
});
}
/// <summary>
/// Initializes a new instance of the <see cref="UnimodCompositionAtomCardinality"/> class.
/// </summary>
/// <param name="atom">The atom.</param>
/// <param name="count">The count.</param>
public UnimodCompositionAtomCardinality(UnimodCompositionAtom atom, int count)
{
this.Atom = atom;
this.Count = count;
}
