internal AbstractStereo(TF focus, IReadOnlyList <TC> carriers, StereoElement value)
{
if (focus == null)
{
throw new ArgumentNullException(nameof(focus), "Focus of stereochemistry can not be null!");
}
if (carriers == null)
{
throw new ArgumentNullException(nameof(carriers), "Carriers of the configuration can not be null!");
}
if (carriers.Count != value.CarrierLength)
{
throw new ArgumentException($"Unexpected number of stereo carriers! expected {value.CarrierLength} was {carriers.Count}");
}
foreach (TC carrier in carriers)
{
if (carrier == null)
{
throw new ArgumentNullException(nameof(carriers), "A carrier was undefined!");
}
}
this.value = value;
this.focus = focus;
this.carriers = new List <TC>();
this.carriers.AddRange(carriers);
}
private static IStereoElement <IChemObject, IChemObject> NewSquarePlanar(int u, int[] vs, IAtom[] atoms, Configuration c)
{
if (vs.Length != 4)
{
return(null);
}
StereoElement order;
switch (c.Ordinal)
{
case Configuration.O.SP1:
order = new StereoElement(StereoClass.SquarePlanar, 1);
break;
case Configuration.O.SP2:
order = new StereoElement(StereoClass.SquarePlanar, 2);
break;
case Configuration.O.SP3:
order = new StereoElement(StereoClass.SquarePlanar, 3);
break;
default:
return(null);
}
return(new SquarePlanar(atoms[u], new IAtom[] { atoms[vs[0]], atoms[vs[1]], atoms[vs[2]], atoms[vs[3]] }, order));
}
/// <inheritdoc/>
protected override IStereoElement <IBond, IBond> Create(IBond focus, IReadOnlyList <IBond> carriers, StereoElement stereo)
{
return(new ExtendedCisTrans(focus, carriers, stereo.Configuration));
}
/// <inheritdoc/>
protected override IStereoElement <IAtom, IAtom> Create(IAtom focus, IReadOnlyList <IAtom> carriers, StereoElement stereo)
{
return(new TrigonalBipyramidal(focus, carriers.ToArray(), stereo));
}
public TrigonalBipyramidal(IAtom focus, IReadOnlyList <IAtom> carriers, StereoElement stereo)
: this(focus, carriers, stereo.Configuration.Order())
{
}
protected override IStereoElement <IAtom, IAtom> Create(IAtom focus, IReadOnlyList <IAtom> carriers, StereoElement stereo)
{
return(new ExtendedTetrahedral(focus, carriers, stereo));
}
public ExtendedTetrahedral(IAtom focus, IEnumerable <IAtom> peripherals, StereoElement stereo)
: this(focus, peripherals, stereo.Configuration)
{
}
public DoubleBondStereochemistry(IBond stereoBond, IEnumerable <IBond> ligandBonds, StereoElement stereo)
: this(stereoBond, ligandBonds, stereo.Configuration)
{
}
protected override IStereoElement <IBond, IBond> Create(IBond focus, IReadOnlyList <IBond> carriers, StereoElement stereo)
{
return(new DoubleBondStereochemistry(focus, carriers, stereo));
}
/// <inheritdoc/>
protected override IStereoElement <IAtom, IAtom> Create(IAtom focus, IReadOnlyList <IAtom> carriers, StereoElement stereo)
{
return(new SquarePlanar(focus, carriers.ToArray(), stereo));
}
public SquarePlanar(IAtom focus, IAtom[] carriers, StereoElement stereo)
: this(focus, carriers, stereo.Configuration.Order())
{
}
public Octahedral(IAtom focus, IAtom[] carriers, StereoElement stereo)
: this(focus, carriers, stereo.Configuration.Order())
{
}
/// <inheritdoc/>
protected override IStereoElement <IBond, IAtom> Create(IBond focus, IReadOnlyList <IAtom> carriers, StereoElement stereo)
{
return(new Atropisomeric(focus, carriers.ToArray(), stereo.Configuration));
}
public TetrahedralChirality(IAtom chiralAtom, IReadOnlyList <IAtom> ligands, StereoElement stereo)
: this(chiralAtom, ligands, stereo.Configuration)
{
}