public void DrawWedgeBond(Wpg.WordprocessingGroup wordprocessingGroup1, BondLine bl)
{
BondLine wedgeLeft = bl.GetParallel(BondOffset());
BondLine wedgeRight = bl.GetParallel(-BondOffset());
List <Point> points = new List <Point>();
points.Add(new Point(bl.Start.X, bl.Start.Y));
points.Add(new Point(wedgeLeft.End.X, wedgeLeft.End.Y));
points.Add(new Point(wedgeRight.End.X, wedgeRight.End.Y));
switch (bl.Type)
{
case BondLineStyle.Wedge:
DrawFilledTriangle(wordprocessingGroup1, points);
break;
case BondLineStyle.Hash:
DrawHashBondLines(wordprocessingGroup1, points);
break;
default:
DrawBondLine(wordprocessingGroup1, bl);
break;
}
}
private void DrawHashBondLines(Wpg.WordprocessingGroup wordprocessingGroup1, List <Point> points)
{
// Create modifyable Points
Point p0 = new Point(points[0].X, points[0].Y);
Point p1 = new Point(points[1].X, points[1].Y);
Point p2 = new Point(points[2].X, points[2].Y);
// Draw Tail Line
BondLine blTail = new BondLine(points[1], points[2], BondLineStyle.Solid, null, null);
DrawBondLine(wordprocessingGroup1, blTail);
// Prep for intermediate lines
Point midPoint = CoordinateTool.GetMidPoint(points[1], points[2]);
Vector v = points[0] - midPoint;
double ticks = v.Length / 2;
v = v / ticks;
BondLine blNext;
Point outIntersectP1;
Point outIntersectP2;
Point leftTailEnd = p1;
Point rightTailEnd = p2;
bool linesIntersect;
bool segmentsIntersect;
// Draw itermediate lines
for (int i = 1; i <= (int)ticks; i++)
{
p1.Offset(v.X, v.Y);
p2.Offset(v.X, v.Y);
CoordinateTool.FindIntersection(leftTailEnd, p0, p1, p2,
out linesIntersect, out segmentsIntersect, out outIntersectP1);
CoordinateTool.FindIntersection(rightTailEnd, p0, p1, p2,
out linesIntersect, out segmentsIntersect, out outIntersectP2);
blNext = new BondLine(outIntersectP1, outIntersectP2, BondLineStyle.Solid, null, null);
DrawBondLine(wordprocessingGroup1, blNext);
}
// Draw small line for nose
Point n1 = new Point(points[0].X - 0.025, points[0].Y - 0.025);
Point n2 = new Point(points[0].X + 0.025, points[0].Y + 0.025);
BondLine blNose = new BondLine(n1, n2, BondLineStyle.Solid, null, null);
DrawBondLine(wordprocessingGroup1, blNose);
}
public void DrawBondLine(Wpg.WordprocessingGroup wordprocessingGroup1, BondLine bl)
{
Point startPoint = new Point(bl.Start.X, bl.Start.Y);
Point endPoint = new Point(bl.End.X, bl.End.Y);
Rect extents = bl.BoundingBox;
// Move Bond Line Extents and Points to have 0,0 Top Left Reference
startPoint.Offset(-m_canvasExtents.Left, -m_canvasExtents.Top);
endPoint.Offset(-m_canvasExtents.Left, -m_canvasExtents.Top);
extents.Offset(-m_canvasExtents.Left, -m_canvasExtents.Top);
// Move points into New Bond Line Extents
startPoint.Offset(-extents.Left, -extents.Top);
endPoint.Offset(-extents.Left, -extents.Top);
switch (bl.Type)
{
case BondLineStyle.Solid:
DrawSolidLine(wordprocessingGroup1, extents, startPoint, endPoint);
break;
case BondLineStyle.Dotted:
DrawDottedLine(wordprocessingGroup1, extents, startPoint, endPoint);
break;
case BondLineStyle.Dashed:
DrawDashedLine(wordprocessingGroup1, extents, startPoint, endPoint);
break;
case BondLineStyle.Wavy:
DrawWavyLine(wordprocessingGroup1, extents, startPoint, endPoint);
break;
default:
DrawSolidLine(wordprocessingGroup1, extents, startPoint, endPoint);
break;
}
}
/// <summary>
/// Creates the lines for a bond
/// </summary>
/// <param name="wordprocessingGroup1">Where to add the bond lines</param>
/// <param name="bond"></param>
public void CreateLines(Bond bond)
{
//Debug.WriteLine("Bond: " + bond.Id);
//IEnumerable<Atom> bondatoms = bond.GetAtoms();
IEnumerable <Ring> rings = bond.Rings;
int ringCount = 0;
foreach (Ring r in rings)
{
ringCount++;
}
//Debug.WriteLine(" Ring Count: " + ringCount);
Point bondStart = bond.StartAtom.Position;
Point bondEnd = bond.EndAtom.Position;
//IEnumerable<CmlBond> toAtomBonds = toAtom.GetLigandBonds();
//int toAtomBondCount = toAtomBonds.ToArray<CmlBond>().Length;
//Debug.WriteLine(" From : " + fromAtom.ElementType + " [" + fromAtom.Id + "] at " + bondStart.X + ", " + bondStart.Y);
//Debug.WriteLine(" To : " + toAtom.ElementType + " [" + toAtom.Id + "] at " + bondEnd.X + ", " + bondEnd.Y);
#region Create Bond Line objects
switch (bond.Order)
{
case Bond.OrderZero:
case "unknown":
m_BondLines.Add(new BondLine(bondStart, bondEnd, BondLineStyle.Dotted, bond.Id));
break;
case Bond.OrderPartial01:
m_BondLines.Add(new BondLine(bondStart, bondEnd, BondLineStyle.Dashed, bond.Id));
break;
case "1":
case Bond.OrderSingle:
switch (bond.Stereo)
{
case BondStereo.None:
m_BondLines.Add(new BondLine(bondStart, bondEnd, BondLineStyle.Solid, bond.Id));
break;
case BondStereo.Hatch:
m_BondLines.Add(new BondLine(bondStart, bondEnd, BondLineStyle.Hash, bond.Id));
break;
case BondStereo.Wedge:
m_BondLines.Add(new BondLine(bondStart, bondEnd, BondLineStyle.Wedge, bond.Id));
break;
case BondStereo.Indeterminate:
m_BondLines.Add(new BondLine(bondStart, bondEnd, BondLineStyle.Wavy, bond.Id));
break;
default:
m_BondLines.Add(new BondLine(bondStart, bondEnd, BondLineStyle.Solid, bond.Id));
break;
}
break;
case Bond.OrderPartial12:
//case "A":
BondLine a = new BondLine(bondStart, bondEnd, BondLineStyle.Solid, bond.Id);
m_BondLines.Add(a);
BondLine a1 = a.GetParallel(-BondOffset());
Point newStarta = new Point(a1.Start.X, a1.Start.Y);
Point newEnda = new Point(a1.End.X, a1.End.Y);
CoordinateTool.AdjustLineAboutMidpoint(ref newStarta, ref newEnda, -(BondOffset() / 1.75));
a1 = new BondLine(newStarta, newEnda, BondLineStyle.Dotted, bond.Id);
m_BondLines.Add(a1);
break;
case Bond.OrderDouble:
if (bond.Stereo == BondStereo.Indeterminate) //crossing bonds
{
// Crossed lines
BondLine d = new BondLine(bondStart, bondEnd, BondLineStyle.Solid, bond.Id);
BondLine d1 = d.GetParallel(-(BondOffset() / 2));
BondLine d2 = d.GetParallel(BondOffset() / 2);
m_BondLines.Add(new BondLine(new Point(d1.Start.X, d1.Start.Y), new Point(d2.End.X, d2.End.Y), BondLineStyle.Solid, bond.Id));
m_BondLines.Add(new BondLine(new Point(d2.Start.X, d2.Start.Y), new Point(d1.End.X, d1.End.Y), BondLineStyle.Solid, bond.Id));
}
else
{
bool shifted = false;
if (ringCount == 0)
{
if (bond.StartAtom.Element as Element == Globals.PeriodicTable.C && bond.EndAtom.Element as Element == Globals.PeriodicTable.C)
{
shifted = false;
}
else
{
shifted = true;
}
}
if (bond.StartAtom.Degree == 1 | bond.EndAtom.Degree == 1)
{
shifted = true;
}
if (shifted)
{
BondLine d = new BondLine(bondStart, bondEnd, BondLineStyle.Solid, bond.Id);
m_BondLines.Add(d.GetParallel(-(BondOffset() / 2)));
m_BondLines.Add(d.GetParallel(BondOffset() / 2));
}
else
{
Debug.WriteLine($"bond.Placement {bond.Placement}");
Point outIntersectP1;
Point outIntersectP2;
bool linesIntersect;
bool segmentsIntersect;
Point centre;
switch (bond.Placement)
{
case BondDirection.Anticlockwise:
BondLine da = new BondLine(bondStart, bondEnd, BondLineStyle.Solid, bond.Id);
m_BondLines.Add(da);
BondLine bla = da.GetParallel(-BondOffset());
Point startPointa = bla.Start;
Point endPointa = bla.End;
if (bond.PrimaryRing != null)
{
centre = bond.PrimaryRing.Centroid.Value;
// Diagnostics
//m_BondLines.Add(new BondLine(bondStart, centre, BondLineStyle.Dotted, null));
//m_BondLines.Add(new BondLine(bondEnd, centre, BondLineStyle.Dotted, null));
CoordinateTool.FindIntersection(startPointa, endPointa, bondStart, centre,
out linesIntersect, out segmentsIntersect, out outIntersectP1);
CoordinateTool.FindIntersection(startPointa, endPointa, bondEnd, centre,
out linesIntersect, out segmentsIntersect, out outIntersectP2);
m_BondLines.Add(new BondLine(outIntersectP1, outIntersectP2, BondLineStyle.Solid, bond.Id));
}
else
{
CoordinateTool.AdjustLineAboutMidpoint(ref startPointa, ref endPointa, -(BondOffset() / 1.75));
m_BondLines.Add(new BondLine(startPointa, endPointa, BondLineStyle.Solid, bond.Id));
}
break;
case BondDirection.Clockwise:
BondLine dc = new BondLine(bondStart, bondEnd, BondLineStyle.Solid, bond.Id);
m_BondLines.Add(dc);
BondLine blc = dc.GetParallel(+BondOffset());
Point startPointc = blc.Start;
Point endPointc = blc.End;
if (bond.PrimaryRing != null)
{
centre = bond.PrimaryRing.Centroid.Value;
// Diagnostics
//m_BondLines.Add(new BondLine(bondStart, centre, BondLineStyle.Dotted, null));
//m_BondLines.Add(new BondLine(bondEnd, centre, BondLineStyle.Dotted, null));
CoordinateTool.FindIntersection(startPointc, endPointc, bondStart, centre,
out linesIntersect, out segmentsIntersect, out outIntersectP1);
CoordinateTool.FindIntersection(startPointc, endPointc, bondEnd, centre,
out linesIntersect, out segmentsIntersect, out outIntersectP2);
m_BondLines.Add(new BondLine(outIntersectP1, outIntersectP2, BondLineStyle.Solid, bond.Id));
}
else
{
CoordinateTool.AdjustLineAboutMidpoint(ref startPointc, ref endPointc, -(BondOffset() / 1.75));
m_BondLines.Add(new BondLine(startPointc, endPointc, BondLineStyle.Solid, bond.Id));
}
break;
default:
switch (bond.Stereo)
{
case BondStereo.Cis:
BondLine dcc = new BondLine(bondStart, bondEnd, BondLineStyle.Solid, bond.Id);
m_BondLines.Add(dcc);
BondLine blnewc = dcc.GetParallel(+BondOffset());
Point startPointn = blnewc.Start;
Point endPointn = blnewc.End;
CoordinateTool.AdjustLineAboutMidpoint(ref startPointn, ref endPointn, -(BondOffset() / 1.75));
m_BondLines.Add(new BondLine(startPointn, endPointn, BondLineStyle.Solid, bond.Id));
break;
case BondStereo.Trans:
BondLine dtt = new BondLine(bondStart, bondEnd, BondLineStyle.Solid, bond.Id);
m_BondLines.Add(dtt);
BondLine blnewt = dtt.GetParallel(+BondOffset());
Point startPointt = blnewt.Start;
Point endPointt = blnewt.End;
CoordinateTool.AdjustLineAboutMidpoint(ref startPointt, ref endPointt, -(BondOffset() / 1.75));
m_BondLines.Add(new BondLine(startPointt, endPointt, BondLineStyle.Solid, bond.Id));
break;
default:
BondLine dp = new BondLine(bondStart, bondEnd, BondLineStyle.Solid, bond.Id);
m_BondLines.Add(dp.GetParallel(-(BondOffset() / 2)));
m_BondLines.Add(dp.GetParallel(BondOffset() / 2));
break;
}
break;
}
}
}
break;
case "3":
case "T":
// Draw main bond line
BondLine t = new BondLine(bondStart, bondEnd, BondLineStyle.Solid, bond.Id);
m_BondLines.Add(t);
m_BondLines.Add(t.GetParallel(BondOffset()));
m_BondLines.Add(t.GetParallel(-BondOffset()));
break;
default:
m_BondLines.Add(new BondLine(bondStart, bondEnd, BondLineStyle.Solid, bond.Id));
break;
}
#endregion Create Bond Line objects
}