/// <summary>
/// Removes the corresponding <seealso cref="ChemicalBond"/> of the given <seealso cref="AtomNode"/>
/// </summary>
/// <param name="bondedElement">The bonded <seealso cref="AtomNode"/> that will be removed as a bond</param>
public void RemoveBond(AtomNode bondedElement)
{
if (Bonds.ContainsKey(bondedElement))
{
Bonds.Remove(bondedElement);
}
}
/*public void BreakRing(AtomNode ele2, int ringNumber)
* {
* var bondOrder = GetBondOrder(ele2);
*
* var suffix = RingSuffix.Item1 == -1
* ? (ringNumber, bondOrder)
* : (RingSuffix.Item1 * 10 + ringNumber, bondOrder);
*
* var suffix2 = ele2.RingSuffix.Item1 == -1
* ? (ringNumber, bondOrder)
* : (ele2.RingSuffix.Item1 * 10 + ringNumber, bondOrder);
*
* ele2.RingSuffix = suffix2;
* RingSuffix = suffix;
* RemoveBond(ele2);
* ele2.RemoveBond(this);
* }*/
public void BreakRing(AtomNode ele2, int ringNumber)
{
var bondOrder = GetBondOrder(ele2);
ele2.RingSuffixes.Add(ringNumber, bondOrder);
RingSuffixes.Add(ringNumber, bondOrder);
RemoveBond(ele2);
ele2.RemoveBond(this);
}
public Molecule(AtomNode atom) => Atoms = new List <AtomNode>
private BondOrder GetBondOrder(AtomNode bondedElement)
{
return(Bonds[bondedElement]);
}
/// <summary>
/// Adds a new <seealso cref="ChemicalBond"/> into BondList by first creating the <seealso cref="ChemicalBond"/> and then adding the equivalent into the other <seealso cref="AtomNode"/>
/// </summary>
/// <param name="bondOrder">The order of bond (i.e. Single, Double, Triple)</param>
/// <param name="bondedElement">The AtomNode that will be bonded to</param>
public void AddBond(AtomNode bondedElement, BondOrder bondOrder)
{
Bonds.Add(bondedElement, bondOrder);
}
