private void PlaceBridgedRing(IRing ring, IAtomContainer sharedAtoms, Vector2 sharedAtomsCenter, Vector2 ringCenterVector, double bondLength)
{
IAtom[] bridgeAtoms = GetBridgeAtoms(sharedAtoms);
IAtom bondAtom1 = bridgeAtoms[0];
IAtom bondAtom2 = bridgeAtoms[1];
List <IAtom> otherAtoms = new List <IAtom>();
foreach (IAtom atom in sharedAtoms.Atoms)
{
if (atom != bondAtom1 && atom != bondAtom2)
{
otherAtoms.Add(atom);
}
}
bool snap = ring.GetProperty <bool>(SnapHint, false);
bool swap = snap ? Det(bondAtom1.Point2D.Value, GeometryUtil.Get2DCenter(otherAtoms), bondAtom2.Point2D.Value) < 0
: Det(bondAtom1.Point2D.Value, GeometryUtil.Get2DCenter(otherAtoms), bondAtom2.Point2D.Value) > 0;
if (swap)
{
IAtom tmp = bondAtom1;
bondAtom1 = bondAtom2;
bondAtom2 = tmp;
}
Vector2 bondAtom1Vector = bondAtom1.Point2D.Value;
Vector2 bondAtom2Vector = bondAtom2.Point2D.Value;
Vector2 midPoint = GetMidPoint(bondAtom1Vector, bondAtom2Vector);
Vector2 ringCenter;
double radius = GetNativeRingRadius(ring, bondLength);
double offset = 0;
if (snap)
{
ringCenter = midPoint;
ringCenterVector = GetPerpendicular(bondAtom1Vector, bondAtom2Vector,
new Vector2(midPoint.X - sharedAtomsCenter.X, midPoint.Y - sharedAtomsCenter.Y));
offset = 0;
foreach (IAtom atom in otherAtoms)
{
double dist = Vector2.Distance(atom.Point2D.Value, midPoint);
if (dist > offset)
{
offset = dist;
}
}
}
else
{
ringCenter = sharedAtomsCenter;
}
Vector2.Normalize(ringCenterVector);
ringCenterVector = ringCenterVector * (radius - offset);
ringCenter += ringCenterVector;
bondAtom1Vector -= ringCenter;
bondAtom2Vector -= ringCenter;
int numUnplaced = ring.RingSize - sharedAtoms.Atoms.Count;
double dot = bondAtom2Vector.X * bondAtom1Vector.X + bondAtom2Vector.Y * bondAtom1Vector.Y;
double det = bondAtom2Vector.X * bondAtom1Vector.Y - bondAtom2Vector.Y * bondAtom1Vector.X;
// theta remain/step
double tRemain = Math.Atan2(det, dot);
if (tRemain < 0)
{
tRemain = Math.PI + (Math.PI + tRemain);
}
double tStep = tRemain / (numUnplaced + 1);
Debug.WriteLine($"placeBridgedRing->tRemain: {Vectors.RadianToDegree(tRemain)}");
Debug.WriteLine($"placeBridgedRing->tStep: {Vectors.RadianToDegree(tStep)}");
double startAngle;
startAngle = GeometryUtil.GetAngle(bondAtom1.Point2D.Value.X - ringCenter.X, bondAtom1.Point2D.Value.Y - ringCenter.Y);
IAtom currentAtom = bondAtom1;
IBond currentBond = sharedAtoms.GetConnectedBonds(currentAtom).First();
List <IAtom> atoms = new List <IAtom>();
for (int i = 0; i < ring.Bonds.Count; i++)
{
currentBond = ring.GetNextBond(currentBond, currentAtom);
currentAtom = currentBond.GetOther(currentAtom);
if (!sharedAtoms.Contains(currentAtom))
{
atoms.Add(currentAtom);
}
}
#if DEBUG
Debug.WriteLine($"{nameof(PlaceBridgedRing)}->atomsToPlace: {AtomPlacer.ListNumbers(Molecule, atoms)}");
Debug.WriteLine($"{nameof(PlaceBridgedRing)}->startAngle: {Vectors.RadianToDegree(startAngle)}");
Debug.WriteLine($"{nameof(PlaceBridgedRing)}->tStep: {Vectors.RadianToDegree(tStep)}");
#endif
AtomPlacer.PopulatePolygonCorners(atoms, ringCenter, startAngle, -tStep, radius);
}
