/// <summary>
/// Finish configuring the tetrahedral centre and add it to the graph.
/// </summary>
/// <returns>the graph-builder to add more atoms/bonds or stereo elements</returns>
/// <exception cref="InvalidOperationException">configuration was missing</exception>
public GraphBuilder Build()
{
if (config == null)
{
throw new InvalidOperationException("no configuration defined");
}
if (vs == null)
{
throw new InvalidOperationException("no neighbors defined");
}
Topology t = Topology.CreateTetrahedral(u,
new int[] {
v,
vs[0], vs[1], vs[2]
},
config);
gb.AddTopology(u, t);
return(gb);
}
/// <summary>
/// Finish configuring the tetrahedral centre and add it to the graph.
/// </summary>
/// <returns>the graph-builder to add more atoms/bonds or stereo elements</returns>
/// <exception cref="InvalidOperationException">configuration was missing</exception>
public GraphBuilder Build()
{
if (config == null)
{
throw new InvalidOperationException("no configuration defined");
}
if (vs == null)
{
throw new InvalidOperationException("no neighbors defined");
}
if (gb.g.Degree(u) != 2)
{
throw new InvalidOperationException("extended tetrahedral atom needs exactly 2 neighbors");
}
Topology t = Topology.CreateExtendedTetrahedral(u,
new int[] {
v,
vs[0], vs[1], vs[2]
},
config);
gb.AddTopology(u, t);
return(gb);
}
