/// <summary>
/// Start building the extended geometric configuration of a set of cumulated
/// double bonds between <paramref name="u"/> and <paramref name="v"/>.
/// </summary>
/// <param name="u"></param>
/// <param name="v"></param>
/// <returns></returns>
public GeometricBuilder CreateExtendedGeometric(int u, int v)
{
var builder = new GeometricBuilder(this, u, v)
{
Extended = true
};
return(builder);
}
/// <summary>Start building the geometric configuration of the double bond '<paramref name="u"/>' / '<paramref name="v"/>'.</summary>
public GeometricBuilder Geometric(int u, int v)
{
var builder = new GeometricBuilder(this, u, v)
{
Extended = false
};
return(builder);
}
// safety checks
private void CheckGeometricBuilder(GeometricBuilder builder)
{
if (!g.Adjacent(builder.u, builder.X) ||
!g.Adjacent(builder.u, builder.v) ||
!g.Adjacent(builder.v, builder.Y))
{
throw new ArgumentException("cannot assign directional labels, vertices were not adjacent" +
"where not adjacent - expected topology of" +
" 'x-u=v-y' where x=" + builder.X
+ " u=" + builder.u
+ " v=" + builder.v
+ " y=" + builder.Y);
}
Edge db = g.CreateEdge(builder.u, builder.v);
if (db.Bond != Bond.Double)
{
throw new ArgumentException("cannot assign double bond configuration to non-double bond");
}
}