public static void FillExistingAtoms(List <Point> preferredPlacements,
List <NewAtomPlacement> newAtomPlacements,
EditorCanvas currentEditor)
{
foreach (Point placement in preferredPlacements)
{
NewAtomPlacement nap = new NewAtomPlacement
{
ExistingAtom = (currentEditor.GetTargetedVisual(placement) as AtomVisual)?.ParentAtom,
Position = placement
};
newAtomPlacements.Add(nap);
}
}
public static void DoPropertyEdit(MouseButtonEventArgs e, EditorCanvas currentEditor)
{
EditViewModel evm = (EditViewModel)currentEditor.Chemistry;
var position = e.GetPosition(currentEditor);
var screenPosition = currentEditor.PointToScreen(position);
// Did RightClick occur on a Molecule Selection Adorner?
var moleculeAdorner = currentEditor.GetMoleculeAdorner(position);
if (moleculeAdorner != null)
{
if (moleculeAdorner.AdornedMolecules.Count == 1)
{
screenPosition = GetDpiAwareScaledPosition(screenPosition, moleculeAdorner);
var mode = Application.Current.ShutdownMode;
Application.Current.ShutdownMode = ShutdownMode.OnExplicitShutdown;
var model = new MoleculePropertiesModel();
model.Centre = screenPosition;
model.Path = moleculeAdorner.AdornedMolecules[0].Path;
model.Used1DProperties = evm.Used1DProperties;
model.Data = new Model();
Molecule mol = moleculeAdorner.AdornedMolecules[0].Copy();
model.Data.AddMolecule(mol);
mol.Parent = model.Data;
model.Charge = mol.FormalCharge;
model.Count = mol.Count;
model.SpinMultiplicity = mol.SpinMultiplicity;
model.ShowMoleculeBrackets = mol.ShowMoleculeBrackets;
var pe = new MoleculePropertyEditor(model);
ShowDialog(pe, currentEditor);
if (model.Save)
{
var thisMolecule = model.Data.Molecules.First().Value;
evm.UpdateMolecule(moleculeAdorner.AdornedMolecules[0], thisMolecule);
}
Application.Current.ShutdownMode = mode;
}
}
else
{
// Did RightClick occur on a ChemicalVisual?
var activeVisual = currentEditor.GetTargetedVisual(position);
if (activeVisual != null)
{
screenPosition = GetDpiAwareScaledPosition(screenPosition, activeVisual);
// Did RightClick occur on an AtomVisual?
if (activeVisual is AtomVisual av)
{
var mode = Application.Current.ShutdownMode;
Application.Current.ShutdownMode = ShutdownMode.OnExplicitShutdown;
var atom = av.ParentAtom;
var model = new AtomPropertiesModel
{
Centre = screenPosition,
Path = atom.Path,
Element = atom.Element
};
if (atom.Element is Element)
{
model.IsFunctionalGroup = false;
model.IsElement = true;
model.Charge = atom.FormalCharge ?? 0;
model.Isotope = atom.IsotopeNumber.ToString();
model.ShowSymbol = atom.ShowSymbol;
}
if (atom.Element is FunctionalGroup)
{
model.IsElement = false;
model.IsFunctionalGroup = true;
}
model.MicroModel = new Model();
Molecule m = new Molecule();
model.MicroModel.AddMolecule(m);
m.Parent = model.MicroModel;
Atom a = new Atom();
a.Element = atom.Element;
a.Position = atom.Position;
a.FormalCharge = atom.FormalCharge;
a.IsotopeNumber = atom.IsotopeNumber;
m.AddAtom(a);
a.Parent = m;
foreach (var bond in atom.Bonds)
{
Atom ac = new Atom();
ac.Element = Globals.PeriodicTable.C;
ac.ShowSymbol = false;
ac.Position = bond.OtherAtom(atom).Position;
m.AddAtom(ac);
ac.Parent = m;
Bond b = new Bond(a, ac);
b.Order = bond.Order;
if (bond.Stereo != Globals.BondStereo.None)
{
b.Stereo = bond.Stereo;
if (bond.Stereo == Globals.BondStereo.Wedge || bond.Stereo == Globals.BondStereo.Hatch)
{
if (atom.Path.Equals(bond.StartAtom.Path))
{
b.StartAtomInternalId = a.InternalId;
b.EndAtomInternalId = ac.InternalId;
}
else
{
b.StartAtomInternalId = ac.InternalId;
b.EndAtomInternalId = a.InternalId;
}
}
}
m.AddBond(b);
b.Parent = m;
}
model.MicroModel.ScaleToAverageBondLength(20);
var pe = new AtomPropertyEditor(model);
ShowDialog(pe, currentEditor);
Application.Current.ShutdownMode = mode;
if (model.Save)
{
evm.UpdateAtom(atom, model);
evm.ClearSelection();
evm.AddToSelection(atom);
if (model.AddedElement != null)
{
AddOptionIfNeeded(model);
}
evm.SelectedElement = model.Element;
}
}
// Did RightClick occur on a BondVisual?
if (activeVisual is BondVisual bv)
{
var mode = Application.Current.ShutdownMode;
Application.Current.ShutdownMode = ShutdownMode.OnExplicitShutdown;
var bond = bv.ParentBond;
var model = new BondPropertiesModel
{
Centre = screenPosition,
Path = bond.Path,
Angle = bond.Angle,
BondOrderValue = bond.OrderValue.Value,
IsSingle = bond.Order.Equals(Globals.OrderSingle),
IsDouble = bond.Order.Equals(Globals.OrderDouble),
Is1Point5 = bond.Order.Equals(Globals.OrderPartial12),
Is2Point5 = bond.Order.Equals(Globals.OrderPartial23)
};
model.DoubleBondChoice = DoubleBondType.Auto;
if (model.IsDouble | model.Is1Point5 | model.Is2Point5)
{
if (bond.ExplicitPlacement != null)
{
model.DoubleBondChoice = (DoubleBondType)bond.ExplicitPlacement.Value;
}
else
{
if (model.IsDouble)
{
if (bond.Stereo == Globals.BondStereo.Indeterminate)
{
model.DoubleBondChoice = DoubleBondType.Indeterminate;
}
}
}
}
if (model.IsSingle)
{
model.SingleBondChoice = SingleBondType.None;
switch (bond.Stereo)
{
case Globals.BondStereo.Wedge:
model.SingleBondChoice = SingleBondType.Wedge;
break;
case Globals.BondStereo.Hatch:
model.SingleBondChoice = SingleBondType.Hatch;
break;
case Globals.BondStereo.Indeterminate:
model.SingleBondChoice = SingleBondType.Indeterminate;
break;
default:
model.SingleBondChoice = SingleBondType.None;
break;
}
}
var pe = new BondPropertyEditor(model);
ShowDialog(pe, currentEditor);
Application.Current.ShutdownMode = mode;
if (model.Save)
{
evm.UpdateBond(bond, model);
evm.ClearSelection();
bond.Order = Globals.OrderValueToOrder(model.BondOrderValue);
evm.AddToSelection(bond);
}
}
}
}
void AddOptionIfNeeded(AtomPropertiesModel model)
{
if (!evm.AtomOptions.Any(ao => ao.Element.Symbol == model.AddedElement.Symbol))
{
AtomOption newOption = null;
switch (model.AddedElement)
{
case Element elem:
newOption = new AtomOption(elem);
break;
case FunctionalGroup group:
newOption = new AtomOption(group);
break;
}
evm.AtomOptions.Add(newOption);
}
}
}