private int GetRingSize(AtomVisual start, Point end, double bondSize)
{
//take the dot product of the distance we moved the mouse with the balancing vector
double displacement = Vector.Multiply((end - start.Position), start.ParentAtom.BalancingVector());
return GetRingSize(bondSize, displacement);
}
private void ClearTemporaries()
{
if (_adorner != null)
{
RemoveAdorner(ref _adorner);
}
_currentAtomVisual = null;
IsDrawing = false;
//clear this to prevent a weird bug in drawing
CurrentEditor.ActiveChemistry = null;
}
private void AtomAdded(Atom atom)
{
if (!chemicalVisuals.ContainsKey(atom)) //it's not already in the list
{
if (atom.Element is FunctionalGroup)
{
chemicalVisuals[atom] = new FunctionalGroupVisual(atom, ShowAtomsInColour);
}
else
{
chemicalVisuals[atom] = new AtomVisual(atom, ShowAtomsInColour, ShowImplicitHydrogens, ShowAllCarbonAtoms);
}
}
var cv = chemicalVisuals[atom];
if (cv is FunctionalGroupVisual fgv)
{
if (fgv.RefCount == 0) // it hasn't been added before
{
fgv.ChemicalVisuals = chemicalVisuals;
fgv.BackgroundColor = Background;
fgv.SymbolSize = ViewModel.SymbolSize;
fgv.SubscriptSize = ViewModel.SymbolSize * ViewModel.ScriptScalingFactor;
fgv.SuperscriptSize = ViewModel.SymbolSize * ViewModel.ScriptScalingFactor;
fgv.Standoff = ViewModel.Standoff;
fgv.Render();
AddVisual(fgv);
}
fgv.RefCount++;
}
else if (cv is AtomVisual av)
{
if (av.RefCount == 0) // it hasn't been added before
{
av.ChemicalVisuals = chemicalVisuals;
av.SymbolSize = ViewModel.SymbolSize;
av.SubscriptSize = ViewModel.SymbolSize * ViewModel.ScriptScalingFactor;
av.SuperscriptSize = ViewModel.SymbolSize * ViewModel.ScriptScalingFactor;
av.BackgroundColor = Background;
av.DisplayOverbonding = DisplayOverbondedAtoms;
av.Render();
AddVisual(av);
}
av.RefCount++;
}
}
private void AtomAdded(Atom atom)
{
if (!chemicalVisuals.ContainsKey(atom)) //it's not already in the list
{
if (atom.Element is FunctionalGroup fg)
{
chemicalVisuals[atom] = new FunctionalGroupVisual(atom);
}
else
{
chemicalVisuals[atom] = new AtomVisual(atom);
}
}
var cv = chemicalVisuals[atom];
if (cv is FunctionalGroupVisual fgv)
{
if (fgv.RefCount == 0) // it hasn't been added before
{
fgv.ChemicalVisuals = chemicalVisuals;
fgv.BackgroundColor = Background;
fgv.Render();
AddVisual(fgv);
}
fgv.RefCount++;
}
else if (cv is AtomVisual av)
{
if (av.RefCount == 0) // it hasn't been added before
{
av.ChemicalVisuals = chemicalVisuals;
av.BackgroundColor = Background;
av.Render();
AddVisual(av);
}
av.RefCount++;
}
}
private void CurrentEditor_MouseLeftButtonDown(object sender, MouseButtonEventArgs e)
{
var position = e.GetPosition(CurrentEditor);
_currentAtomVisual = CurrentEditor.GetTargetedVisual(position) as AtomVisual;
if (_currentAtomVisual == null)
{
_angleSnapper = new Snapper(position, EditViewModel);
}
else
{
Mouse.Capture(CurrentEditor);
_angleSnapper = new Snapper(_currentAtomVisual.ParentAtom.Position, EditViewModel);
_lastAtomVisual = _currentAtomVisual;
}
IsDrawing = true;
}
private void RedrawAtom(Atom atom)
{
int refCount = 1;
AtomVisual av = null;
if (chemicalVisuals.ContainsKey(atom))
{
av = (AtomVisual)chemicalVisuals[atom];
refCount = av.RefCount;
AtomRemoved(atom);
}
AtomAdded(atom);
av = (AtomVisual)chemicalVisuals[atom];
av.RefCount = refCount;
}
/// <summary>
/// tells you where to put a new atom
/// </summary>
/// <param name="lastAtomVisual"></param>
/// <param name="congestedPositions">Places to avoid dumping the new atom</param>
/// <returns></returns>
private (Point NewPos, ClockDirections sproutDir) GetNewChainEndPos(AtomVisual lastAtomVisual)
{
ClockDirections GetGeneralDir(Vector bondVector)
{
double bondAngle = Vector.AngleBetween(BasicGeometry.ScreenNorth, bondVector);
ClockDirections hour = (ClockDirections)BasicGeometry.SnapToClock(bondAngle);
return(hour);
}
var lastAtom = lastAtomVisual.ParentAtom;
Vector newDirection;
ClockDirections newTag;
if (lastAtom.Degree == 0) //isolated atom
{
newDirection = ClockDirections.II.ToVector() * EditViewModel.Model.XamlBondLength;
newTag = ClockDirections.II;
}
else if (lastAtom.Degree == 1)
{
Vector bondVector = lastAtom.Position - lastAtom.Neighbours.First().Position;
var hour = GetGeneralDir(bondVector);
if (VirginAtom(lastAtom)) //it hasn't yet sprouted
{
//Tag is used to store the direction the atom sprouted from its previous atom
newTag = GetNewSproutDirection(hour);
newDirection = newTag.ToVector() * EditViewModel.Model.XamlBondLength;
}
else //it has sprouted, so where to put the new branch?
{
var vecA = ((ClockDirections)lastAtom.Tag).ToVector();
vecA.Normalize();
var vecB = -bondVector;
vecB.Normalize();
var balancingVector = -(vecA + vecB);
balancingVector.Normalize();
newTag = GetGeneralDir(balancingVector);
newDirection = balancingVector * EditViewModel.Model.XamlBondLength;
}
}
else if (lastAtom.Degree == 2)
{
var balancingVector = lastAtom.BalancingVector();
balancingVector.Normalize();
newDirection = balancingVector * EditViewModel.Model.XamlBondLength;
newTag = GetGeneralDir(balancingVector);
}
else //lastAtom.Degree >= 2: could get congested
{
FindOpenSpace(lastAtom, EditViewModel.Model.XamlBondLength, out newDirection);
newTag = GetGeneralDir(newDirection);
}
return(newDirection + lastAtom.Position, newTag);
}
public AtomHoverAdorner(UIElement adornedElement, AtomVisual targetedVisual) : this(adornedElement)
{
_targetedVisual = targetedVisual;
}
private Geometry GetBondAdornerGeometry(Bond bond)
{
//work out the actual visible extent of the bond
Point startPoint, endPoint;
Vector unitVector = bond.BondVector;
unitVector.Normalize();
AtomVisual startAtomVisual = CurrentEditor.GetAtomVisual(bond.StartAtom);
AtomVisual endAtomVisual = CurrentEditor.GetAtomVisual(bond.EndAtom);
Point?sp;
//work out where the bond vector intersects the start and end points of the bond
if (!string.IsNullOrEmpty(bond.StartAtom.SymbolText) &&
(sp = startAtomVisual.GetIntersection(bond.StartAtom.Position, bond.EndAtom.Position)) != null)
{
startPoint = sp.Value;
}
else
{
startPoint = bond.StartAtom.Position + unitVector * RenderRadius;
}
Point?ep;
if (!string.IsNullOrEmpty(bond.EndAtom.SymbolText) &&
(ep = endAtomVisual.GetIntersection(bond.StartAtom.Position, bond.EndAtom.Position)) != null)
{
endPoint = ep.Value;
}
else
{
endPoint = bond.EndAtom.Position - unitVector * RenderRadius;
}
//get the perpendiculars to the bond
Matrix toLeft = new Matrix();
toLeft.Rotate(-90);
Matrix toRight = new Matrix();
toRight.Rotate(90);
Vector right = bond.BondVector * toRight;
right.Normalize();
Vector left = bond.BondVector * toLeft;
left.Normalize();
//draw the rectangle on top of the bond
PathFigure pathFigure = new PathFigure();
pathFigure.StartPoint = startPoint + right * RenderRadius;
pathFigure.IsClosed = true;
LineSegment lineSegment1 = new LineSegment();
lineSegment1.Point = startPoint + left * RenderRadius;
pathFigure.Segments.Add(lineSegment1);
LineSegment lineSegment2 = new LineSegment();
lineSegment2.Point = endPoint + left * RenderRadius;
pathFigure.Segments.Add(lineSegment2);
LineSegment lineSegment3 = new LineSegment();
lineSegment3.Point = endPoint + right * RenderRadius;
pathFigure.Segments.Add(lineSegment3);
//add in the figure
List <PathFigure> figures = new List <PathFigure>();
figures.Add(pathFigure);
//now create the geometry
PathGeometry pathGeometry = new PathGeometry(figures);
//work out the end caps
Geometry start = new EllipseGeometry(startPoint, RenderRadius, RenderRadius);
Geometry end = new EllipseGeometry(endPoint, RenderRadius, RenderRadius);
//add them in
CombinedGeometry result = new CombinedGeometry(GeometryCombineMode.Union, pathGeometry, start);
result = new CombinedGeometry(GeometryCombineMode.Union, result, end);
//and return
return(result);
}
