/// <summary>
/// Gets the geometry of a wedge bond.
/// </summary>
/// <param name="desc">WedgeBondDescriptor which is populated</param>
/// <param name="standardBondLength">Standard bond length as defined by the model</param>
/// <param name="standoff">Boundary width between atom label and bond terminus</param>
public static void GetWedgeBondGeometry(WedgeBondLayout desc, double standardBondLength, double standoff)
{
//get the width of the wedge bond's thick end
var bondVector = desc.PrincipleVector;
var perpVector = bondVector.Perpendicular();
perpVector.Normalize();
perpVector *= standardBondLength * Globals.BondOffsetPercentage;
// shrink the bond so it doesn't overlap any AtomVisuals
AdjustTerminus(ref desc.Start, desc.End, desc.StartAtomHull, standoff);
AdjustTerminus(ref desc.End, desc.Start, desc.EndAtomHull, standoff);
//then draw it
GetWedgePoints(desc, perpVector);
//and pass it back as a Geometry
StreamGeometry sg;
sg = desc.GetOutline();
sg.Freeze();
desc.DefiningGeometry = sg;
}
/// <summary>
/// Chamfers or forks the end of a wedge bond under special circumstances
/// (one or more incoming single bonds)
/// </summary>
/// <param name="descriptor"> WedgeBondDescriptor to be populated</param>
/// <param name="standardBondLength">Standard bond length as defined by the model</param>
/// <param name="otherAtomPoints">List of positions of atoms splaying from the end atom</param>
/// <param name="standoff"></param>
public static void GetChamferedWedgeGeometry(WedgeBondLayout descriptor,
double standardBondLength,
List <Point> otherAtomPoints, double standoff)
{
var bondVector = descriptor.PrincipleVector;
//first get an unaltered bond
GetWedgeBondGeometry(descriptor, standardBondLength, standoff);
var firstEdgeVector = descriptor.FirstCorner - descriptor.Start;
var secondEdgeVector = descriptor.SecondCorner - descriptor.Start;
//get the two bonds with widest splay
var widestPoints = from Point p in otherAtomPoints
orderby Math.Abs(Vector.AngleBetween(bondVector, p - descriptor.End)) descending
select p;
//the scaling factors are what we multiply the bond edge vectors by
double firstScalingFactor = 0d;
double secondScalingFactor = 0d;
//work out the biggest scaling factor for either long edge
foreach (var point in widestPoints)
{
BasicGeometry.IntersectLines(descriptor.Start,
descriptor.FirstCorner,
descriptor.End,
point, out var firstEdgeCut, out var otherBond1Cut);
BasicGeometry.IntersectLines(descriptor.Start,
descriptor.SecondCorner,
descriptor.End,
point, out var secondEdgeCut, out var otherBond2Cut);
if (otherAtomPoints.Count == 1)
{
if (firstEdgeCut > firstScalingFactor)
{
firstScalingFactor = firstEdgeCut;
}
if (secondEdgeCut > secondScalingFactor)
{
secondScalingFactor = secondEdgeCut;
}
}
else
{
if (firstEdgeCut > firstScalingFactor && otherBond1Cut < 1d && otherBond1Cut > 0d)
{
firstScalingFactor = firstEdgeCut;
}
if (secondEdgeCut > secondScalingFactor && otherBond2Cut < 1d && otherBond2Cut > 0d)
{
secondScalingFactor = secondEdgeCut;
}
}
}
//and multiply the edges by the scaling factors
descriptor.FirstCorner = firstEdgeVector * firstScalingFactor + descriptor.Start;
descriptor.SecondCorner = secondEdgeVector * secondScalingFactor + descriptor.Start;
descriptor.CappedOff = true;
var sg = descriptor.GetOutline();
sg.Freeze();
descriptor.DefiningGeometry = sg;
}
