// public Rectangle PaintReactionSet(
// IReactionSet reactionSet, IDrawVisitor drawVisitor) {
// // total up the bounding boxes
// Rectangle2D totalBounds = CreateRectangle();
// foreach (var reaction in reactionSet.reactions()) {
// Rectangle2D modelBounds = BoundsCalculator.CalculateBounds(reaction);
// if (totalBounds == null) {
// totalBounds = modelBounds;
// } else {
// totalBounds = totalBounds.CreateUnion(modelBounds);
// }
// }
//
// // setup and draw
// this.SetupTransformNatural(totalBounds);
// ElementGroup diagram = new ElementGroup();
// foreach (var reaction in reactionSet.reactions()) {
// diagram.Add(this.GenerateDiagram(reaction));
// }
// this.Paint(drawVisitor, diagram);
//
// // the size of the painted diagram is returned
// return this.ConvertToDiagramBounds(totalBounds);
// }
//
// public Rectangle PaintReaction(
// IReaction reaction, IDrawVisitor drawVisitor) {
//
// // calculate the bounds
// Rectangle2D modelBounds = BoundsCalculator.CalculateBounds(reaction);
//
// // setup and draw
// this.SetupTransformNatural(modelBounds);
// IRenderingElement diagram = this.GenerateDiagram(reaction);
// this.Paint(drawVisitor, diagram);
//
// return this.ConvertToDiagramBounds(modelBounds);
// }
/// <summary>
/// Paint a ChemModel.
/// </summary>
/// <param name="chemModel"></param>
/// <param name="drawVisitor">the visitor that does the drawing</param>
/// <param name="bounds">the bounds of the area to paint on.</param>
/// <param name="resetCenter">if true, set the modelCenter to the center of the ChemModel's bounds.</param>
public void Paint(IChemModel chemModel, IDrawVisitor drawVisitor, Rect bounds, bool resetCenter)
{
// check for an empty model
var moleculeSet = chemModel.MoleculeSet;
IReactionSet reactionSet = chemModel.ReactionSet;
// nasty, but it seems that reactions can be read in as ChemModels
// with BOTH a ReactionSet AND a MoleculeSet...
if (moleculeSet == null || reactionSet != null)
{
if (reactionSet != null)
{
reactionSetRenderer.Paint(reactionSet, drawVisitor, bounds, resetCenter);
}
return;
}
// calculate the total bounding box
var modelBounds = BoundsCalculator.CalculateBounds(moleculeSet);
this.SetupTransformToFit(bounds, modelBounds,
AverageBondLengthCalculator.CalculateAverageBondLength(chemModel), resetCenter);
// generate the elements
IRenderingElement diagram = moleculeSetRenderer.GenerateDiagram(moleculeSet);
// paint it
this.Paint(drawVisitor, diagram);
}
/// <summary>
/// Set the scale for an <see cref="IChemObjectSet{T}"/>. It calculates the average bond length
/// of the model and calculates the multiplication factor to transform this
/// to the bond length that is set in the RendererModel.
/// </summary>
/// <param name="moleculeSet">the <see cref="IChemObjectSet{T}"/> for what to set the scale</param>
public void SetScale(IChemObjectSet <IAtomContainer> moleculeSet)
{
double bondLength = AverageBondLengthCalculator.CalculateAverageBondLength(moleculeSet);
double scale = this.CalculateScaleForBondLength(bondLength);
// store the scale so that other components can access it
this.rendererModel.SetScale(scale);
}
/// <summary>
/// Set the scale for an IReaction. It calculates the average bond length
/// of the model and calculates the multiplication factor to transform this
/// to the bond length that is set in the RendererModel.
/// </summary>
/// <param name="reaction"></param>
public void SetScale(IReaction reaction)
{
double bondLength = AverageBondLengthCalculator.CalculateAverageBondLength(reaction);
double scale = this.CalculateScaleForBondLength(bondLength);
// store the scale so that other components can access it
this.rendererModel.SetScale(scale);
}
/// <summary>
/// Set the scale for an IChemModel. It calculates the average bond length of
/// the model and calculates the multiplication factor to transform this
/// to the bond length that is set in the RendererModel.
/// </summary>
/// <param name="chemModel"></param>
public void SetScale(IChemModel chemModel)
{
var bondLength = AverageBondLengthCalculator.CalculateAverageBondLength(chemModel);
var scale = this.CalculateScaleForBondLength(bondLength);
// store the scale so that other components can access it
this.rendererModel.SetScale(scale);
}
/// <summary>
/// Paint a set of molecules.
/// </summary>
/// <param name="molecules">the <see cref="IChemObjectSet{T}"/> to paint</param>
/// <param name="drawVisitor">the visitor that does the drawing</param>
/// <param name="bounds">the bounds on the screen</param>
/// <param name="resetCenter">if true, set the draw center to be the center of bounds</param>
public void Paint(IChemObjectSet <IAtomContainer> molecules, IDrawVisitor drawVisitor, Rect bounds, bool resetCenter)
{
// total up the bounding boxes
var totalBounds = BoundsCalculator.CalculateBounds(molecules);
this.SetupTransformToFit(bounds, totalBounds,
AverageBondLengthCalculator.CalculateAverageBondLength(molecules), resetCenter);
IRenderingElement diagram = this.GenerateDiagram(molecules);
this.Paint(drawVisitor, diagram);
}
/// <summary>
/// Paint a reaction.
/// </summary>
/// <param name="reaction">the reaction to paint</param>
/// <param name="drawVisitor">the visitor that does the drawing</param>
/// <param name="bounds">the bounds on the screen</param>
/// <param name="resetCenter">/// if true, set the draw center to be the center of bounds</param>
public void Paint(IReaction reaction, IDrawVisitor drawVisitor, Rect bounds, bool resetCenter)
{
// calculate the bounds
var modelBounds = BoundsCalculator.CalculateBounds(reaction).Value;
this.SetupTransformToFit(bounds, modelBounds, AverageBondLengthCalculator.CalculateAverageBondLength(reaction), resetCenter);
// generate the elements
var diagram = this.GenerateDiagram(reaction);
// paint it
this.Paint(drawVisitor, diagram);
}
/// <summary>
/// Paint a set of reactions.
/// </summary>
/// <param name="reactionSet">the reaction to paint</param>
/// <param name="drawVisitor">the visitor that does the drawing</param>
/// <param name="bounds">the bounds on the screen</param>
/// <param name="resetCenter">if true, set the draw center to be the center of bounds</param>
public void Paint(IReactionSet reactionSet, IDrawVisitor drawVisitor, Rect bounds, bool resetCenter)
{
// total up the bounding boxes
var totalBounds = BoundsCalculator.CalculateBounds(reactionSet);
this.SetupTransformToFit(bounds, totalBounds, AverageBondLengthCalculator.CalculateAverageBondLength(reactionSet), resetCenter);
ElementGroup diagram = new ElementGroup();
foreach (var reaction in reactionSet)
{
diagram.Add(reactionRenderer.GenerateDiagram(reaction));
}
// paint them all
this.Paint(drawVisitor, diagram);
}
