public void DrawNRing(DrawingContext drawingContext, List <NewAtomPlacement> newPlacements)
{
StreamGeometry ringGeometry = new StreamGeometry();
if (_fixedRingAdorner.Unsaturated) //bit complicated as we have unsaturated bonds
{
using (var sgc = ringGeometry.Open())
{
int newPlacementsCount = newPlacements.Count;
var locations = (from p in newPlacements.ToArray().Reverse()
select p.Position).ToArray();
HashSet <NewAtomPlacement> visited = new HashSet <NewAtomPlacement>();
Point?centroid = Geometry <Point> .GetCentroid(locations, p => p);
var startAt =
newPlacementsCount % 2; //place the double bonds in odd membered rings where they should start
for (int i = startAt; i < newPlacementsCount + startAt; i++)
{
int firstIndex = i % newPlacementsCount;
var oldAtomPlacement = newPlacements[firstIndex];
int secondIndex = (firstIndex + 1) % newPlacementsCount;
var newAtomPlacement = newPlacements[secondIndex];
if (!visited.Contains(oldAtomPlacement) & !visited.Contains(newAtomPlacement) &&
!(oldAtomPlacement.ExistingAtom?.IsUnsaturated ??
false) && !(newAtomPlacement.ExistingAtom?.IsUnsaturated ?? false))
{
List <Point> dummy = new List <Point>();
DoubleBondLayout dbd = new DoubleBondLayout
{
Start = oldAtomPlacement.Position,
End = newAtomPlacement.Position,
Placement = Globals.BondDirection.Anticlockwise,
PrimaryCentroid = centroid
};
BondGeometry.GetDoubleBondGeometry(dbd, dbd.PrincipleVector.Length);
BasicGeometry.DrawGeometry(sgc, dbd.DefiningGeometry);
visited.Add(oldAtomPlacement);
visited.Add(newAtomPlacement);
}
else
{
BondLayout sbd = new BondLayout
{
Start = oldAtomPlacement.Position,
End = newAtomPlacement.Position
};
BondGeometry.GetSingleBondGeometry(sbd);
BasicGeometry.DrawGeometry(sgc, sbd.DefiningGeometry);
}
oldAtomPlacement = newAtomPlacement;
}
sgc.Close();
}
drawingContext.DrawGeometry(null, _fixedRingAdorner.BondPen, ringGeometry);
}
else //saturated ring, just draw a polygon
{
drawingContext.DrawGeometry(null, _fixedRingAdorner.BondPen, BasicGeometry.BuildPolyPath(_fixedRingAdorner.Placements, true));
}
}
public BondLayout GetBondLayout(Point startPoint, Point endPoint, double bondLength,
Globals.BondStereo stereo, string order, Ring existingRing = null,
Ring subsidiaryRing = null)
{
BondLayout descriptor = null;
//check to see if it's a wedge or a hatch yet
if (stereo == Globals.BondStereo.Wedge || stereo == Globals.BondStereo.Hatch)
{
var wbd = new WedgeBondLayout {
Start = startPoint, End = endPoint
};
BondGeometry.GetWedgeBondGeometry(wbd, bondLength, CurrentEditor.ViewModel.Standoff);
return(wbd);
}
if (stereo == Globals.BondStereo.Indeterminate && (order == Globals.OrderSingle))
{
descriptor = new BondLayout {
Start = startPoint, End = endPoint
};
BondGeometry.GetWavyBondGeometry(descriptor, bondLength, CurrentEditor.ViewModel.Standoff);
return(descriptor);
}
var ordervalue = Bond.OrderToOrderValue(order);
//single or dotted bond
if (ordervalue <= 1)
{
descriptor = new BondLayout {
Start = startPoint, End = endPoint
};
BondGeometry.GetSingleBondGeometry(descriptor, CurrentEditor.ViewModel.Standoff);
}
//double bond
if (ordervalue == 2 || ordervalue == 1.5)
{
DoubleBondLayout dbd = new DoubleBondLayout {
Start = startPoint, End = endPoint
};
if (stereo == Globals.BondStereo.Indeterminate)
{
BondGeometry.GetCrossedDoubleGeometry(dbd, bondLength, CurrentEditor.ViewModel.Standoff);
}
else
{
dbd.PrimaryCentroid = existingRing?.Centroid;
dbd.SecondaryCentroid = subsidiaryRing?.Centroid;
BondGeometry.GetDoubleBondGeometry(dbd, bondLength, CurrentEditor.ViewModel.Standoff);
}
descriptor = dbd;
}
//tripe bond
if (ordervalue == 2.5 || ordervalue == 3)
{
var tbd = new TripleBondLayout {
Start = startPoint, End = endPoint
};
BondGeometry.GetTripleBondGeometry(tbd, bondLength, CurrentEditor.ViewModel.Standoff);
descriptor = tbd;
}
return(descriptor);
}
