public void TestGetOutlines() { TextOutline outline = new TextOutline("Cl", font, emSize); AtomSymbol symbol = new AtomSymbol(outline, Array.Empty <TextOutline>()); var outlineBounds = outline.GetOutline().Bounds; var symbolBounds = symbol.GetOutlines()[0].Bounds; Assert.AreEqual(symbolBounds.X, outlineBounds.X, 0.01); Assert.AreEqual(symbolBounds.Y, outlineBounds.Y, 0.01); Assert.AreEqual(symbolBounds.Left, outlineBounds.Left, 0.01); Assert.AreEqual(symbolBounds.Bottom, outlineBounds.Bottom, 0.01); }
public void TestGetOutlinesWithAdjunct() { TextOutline outline = new TextOutline("Cl", font, emSize); TextOutline adjunct = new TextOutline("H", font, emSize); AtomSymbol symbol = new AtomSymbol(outline, new[] { adjunct }); var outlineBounds = adjunct.GetOutline().Bounds; var symbolBounds = symbol.GetOutlines()[1].Bounds; Assert.AreEqual(symbolBounds.X, outlineBounds.X, 0.01); Assert.AreEqual(symbolBounds.Y, outlineBounds.Y, 0.01); Assert.AreEqual(symbolBounds.Left, outlineBounds.Left, 0.01); Assert.AreEqual(symbolBounds.Bottom, outlineBounds.Bottom, 0.01); }
/// <summary> /// Access the Java 2D shape text outlines that display the atom symbol. /// </summary> /// <returns>shapes</returns> public List <Geometry> GetOutlines() { var shapes = new List <Geometry> { element.GetOutline() }; foreach (var adjunct in adjuncts) { shapes.Add(adjunct.GetOutline()); } return(shapes); }
public void TestGetConvexHull() { TextOutline outline = new TextOutline("Cl", font, emSize); AtomSymbol symbol = new AtomSymbol(outline, Array.Empty <TextOutline>()); ConvexHull outlineHull = ConvexHull.OfShape(outline.GetOutline()); ConvexHull symbolHull = symbol.GetConvexHull(); var outlineBounds = outlineHull.Outline.Bounds; var symbolBounds = symbolHull.Outline.Bounds; Assert.AreEqual(symbolBounds.X, outlineBounds.X, 0.01); Assert.AreEqual(symbolBounds.Y, outlineBounds.Y, 0.01); Assert.AreEqual(symbolBounds.Left, outlineBounds.Left, 0.01); Assert.AreEqual(symbolBounds.Bottom, outlineBounds.Bottom, 0.01); }
/// <summary> /// Make an embedded text label for display in a CDK renderer. If a piece of text contains newlines /// they are centred aligned below each other with a line height of 1.4. /// </summary> /// <param name="font">the font to embedded</param> /// <param name="text">the text label</param> /// <param name="color">the color</param> /// <param name="scale">the resize, should include the model scale</param> /// <returns>pre-rendered element</returns> public static IRenderingElement EmbedText(Typeface font, double emSize, string text, Color color, double scale) { var lines = text.Split('\n'); var group = new ElementGroup(); double yOffset = 0; double lineHeight = 1.4d; foreach (var line in lines) { var outline = new TextOutline(line, font, emSize).Resize(scale, -scale); var center = outline.GetCenter(); outline = outline.Translate(-center.X, -(center.Y + yOffset)); yOffset += lineHeight * outline.GetBounds().Height; group.Add(GeneralPath.ShapeOf(outline.GetOutline(), color)); var logicalBounds = outline.LogicalBounds; group.Add(new Bounds(logicalBounds.Left, logicalBounds.Top, logicalBounds.Right, logicalBounds.Bottom)); } return(group); }
private IRenderingElement GenerateSgroupBrackets(Sgroup sgroup, IList <SgroupBracket> brackets, IReadOnlyDictionary <IAtom, AtomSymbol> symbols, string subscriptSuffix, string superscriptSuffix) { // brackets are square by default (style:0) var style = (int?)sgroup.GetValue(SgroupKey.CtabBracketStyle); bool round = style != null && style == 1; var result = new ElementGroup(); var atoms = sgroup.Atoms; var crossingBonds = sgroup.Bonds; // easy to depict in correct orientation, we just // point each bracket at the atom of a crossing // bond that is 'in' the group - this scales // to more than two brackets // first we need to pair the brackets with the bonds var pairs = crossingBonds.Count == brackets.Count ? BracketBondPairs(brackets, crossingBonds) : Dictionaries.Empty <SgroupBracket, IBond>(); // override bracket layout around single atoms to bring them in closer if (atoms.Count == 1) { var atom = atoms.First(); // e.g. 2 HCL, 8 H2O etc. if (IsUnsignedInt(subscriptSuffix) && !crossingBonds.Any() && symbols.ContainsKey(atom)) { var prefix = new TextOutline('·' + subscriptSuffix, font, emSize).Resize(1 / scale, 1 / -scale); var prefixBounds = prefix.LogicalBounds; var symbol = symbols[atom]; var bounds = symbol.GetConvexHull().Outline.Bounds; // make slightly large bounds = new Rect(bounds.Bottom - 2 * stroke, bounds.Left - 2 * stroke, bounds.Width + 4 * stroke, bounds.Height + 4 * stroke); prefix = prefix.Translate(bounds.Bottom - prefixBounds.Top, symbol.GetAlignmentCenter().Y - prefixBounds.CenterY()); result.Add(GeneralPath.ShapeOf(prefix.GetOutline(), foreground)); } // e.g. CC(O)nCC else if (crossingBonds.Count > 0) { var scriptscale = labelScale; var leftBracket = new TextOutline("(", font, emSize).Resize(1 / scale, 1 / -scale); var rightBracket = new TextOutline(")", font, emSize).Resize(1 / scale, 1 / -scale); var leftCenter = leftBracket.GetCenter(); var rightCenter = rightBracket.GetCenter(); if (symbols.ContainsKey(atom)) { var symbol = symbols[atom]; var bounds = symbol.GetConvexHull().Outline.Bounds; // make slightly large bounds = new Rect(bounds.Left - 2 * stroke, bounds.Top - 2 * stroke, bounds.Width + 4 * stroke, bounds.Height + 4 * stroke); leftBracket = leftBracket.Translate(bounds.Left - 0.1 - leftCenter.X, symbol.GetAlignmentCenter().Y - leftCenter.Y); rightBracket = rightBracket.Translate(bounds.Right + 0.1 - rightCenter.X, symbol.GetAlignmentCenter().Y - rightCenter.Y); } else { var p = atoms.First().Point2D.Value; leftBracket = leftBracket.Translate(p.X - 0.2 - leftCenter.X, p.Y - leftCenter.Y); rightBracket = rightBracket.Translate(p.X + 0.2 - rightCenter.X, p.Y - rightCenter.Y); } result.Add(GeneralPath.ShapeOf(leftBracket.GetOutline(), foreground)); result.Add(GeneralPath.ShapeOf(rightBracket.GetOutline(), foreground)); var rightBracketBounds = rightBracket.GetBounds(); // subscript/superscript suffix annotation if (subscriptSuffix != null && subscriptSuffix.Any()) { TextOutline subscriptOutline = LeftAlign(MakeText(subscriptSuffix.ToLowerInvariant(), new Vector2(rightBracketBounds.Right, rightBracketBounds.Top - 0.1), new Vector2(-0.5 * rightBracketBounds.Width, 0), scriptscale)); result.Add(GeneralPath.ShapeOf(subscriptOutline.GetOutline(), foreground)); } if (superscriptSuffix != null && superscriptSuffix.Any()) { var superscriptOutline = LeftAlign(MakeText(superscriptSuffix.ToLowerInvariant(), new Vector2(rightBracketBounds.Right, rightBracketBounds.Bottom + 0.1), new Vector2(-rightBracketBounds.Width, 0), scriptscale)); result.Add(GeneralPath.ShapeOf(superscriptOutline.GetOutline(), foreground)); } } } else if (pairs.Any()) { SgroupBracket suffixBracket = null; Vector2? suffixBracketPerp = null; foreach (var e in pairs) { var bracket = e.Key; var bond = e.Value; var inGroupAtom = atoms.Contains(bond.Begin) ? bond.Begin : bond.End; var p1 = bracket.FirstPoint; var p2 = bracket.SecondPoint; var perp = VecmathUtil.NewPerpendicularVector(VecmathUtil.NewUnitVector(p1, p2)); // point the vector at the atom group var midpoint = VecmathUtil.Midpoint(p1, p2); if (Vector2.Dot(perp, VecmathUtil.NewUnitVector(midpoint, inGroupAtom.Point2D.Value)) < 0) { perp = Vector2.Negate(perp); } perp *= bracketDepth; if (round) { result.Add(CreateRoundBracket(p1, p2, perp, midpoint)); } else { result.Add(CreateSquareBracket(p1, p2, perp)); } if (suffixBracket == null) { suffixBracket = bracket; suffixBracketPerp = perp; } else { // is this bracket better as a suffix? var sp1 = suffixBracket.FirstPoint; var sp2 = suffixBracket.SecondPoint; var bestMaxX = Math.Max(sp1.X, sp2.X); var thisMaxX = Math.Max(p1.X, p2.X); var bestMaxY = Math.Max(sp1.Y, sp2.Y); var thisMaxY = Math.Max(p1.Y, p2.Y); // choose the most eastern or.. the most southern var xDiff = thisMaxX - bestMaxX; var yDiff = thisMaxY - bestMaxY; if (xDiff > EQUIV_THRESHOLD || (xDiff > -EQUIV_THRESHOLD && yDiff < -EQUIV_THRESHOLD)) { suffixBracket = bracket; suffixBracketPerp = perp; } } } // write the labels if (suffixBracket != null) { var subSufPnt = suffixBracket.FirstPoint; var supSufPnt = suffixBracket.SecondPoint; // try to put the subscript on the bottom var xDiff = subSufPnt.X - supSufPnt.X; var yDiff = subSufPnt.Y - supSufPnt.Y; if (yDiff > EQUIV_THRESHOLD || (yDiff > -EQUIV_THRESHOLD && xDiff > EQUIV_THRESHOLD)) { var tmpP = subSufPnt; subSufPnt = supSufPnt; supSufPnt = tmpP; } // subscript/superscript suffix annotation if (subscriptSuffix != null && subscriptSuffix.Any()) { var subscriptOutline = LeftAlign(MakeText(subscriptSuffix.ToLowerInvariant(), subSufPnt, suffixBracketPerp.Value, labelScale)); result.Add(GeneralPath.ShapeOf(subscriptOutline.GetOutline(), foreground)); } if (superscriptSuffix != null && superscriptSuffix.Any()) { var superscriptOutline = LeftAlign(MakeText(superscriptSuffix.ToLowerInvariant(), supSufPnt, suffixBracketPerp.Value, labelScale)); result.Add(GeneralPath.ShapeOf(superscriptOutline.GetOutline(), foreground)); } } } else if (brackets.Count == 2) { var b1p1 = brackets[0].FirstPoint; var b1p2 = brackets[0].SecondPoint; var b2p1 = brackets[1].FirstPoint; var b2p2 = brackets[1].SecondPoint; var b1vec = VecmathUtil.NewUnitVector(b1p1, b1p2); var b2vec = VecmathUtil.NewUnitVector(b2p1, b2p2); var b1pvec = VecmathUtil.NewPerpendicularVector(b1vec); var b2pvec = VecmathUtil.NewPerpendicularVector(b2vec); // Point the vectors at each other if (Vector2.Dot(b1pvec, VecmathUtil.NewUnitVector(b1p1, b2p1)) < 0) { b1pvec = Vector2.Negate(b1pvec); } if (Vector2.Dot(b2pvec, VecmathUtil.NewUnitVector(b2p1, b1p1)) < 0) { b2pvec = Vector2.Negate(b2pvec); } // scale perpendicular vectors by how deep the brackets need to be b1pvec *= bracketDepth; b2pvec *= bracketDepth; // bad brackets if (double.IsNaN(b1pvec.X) || double.IsNaN(b1pvec.Y) || double.IsNaN(b2pvec.X) || double.IsNaN(b2pvec.Y)) { return(result); } { var path = new PathGeometry(); if (round) { { // bracket 1 (cp: control point) var pf = new PathFigure { StartPoint = new Point(b1p1.X + b1pvec.X, b1p1.Y + b1pvec.Y) }; Vector2 cpb1 = VecmathUtil.Midpoint(b1p1, b1p2); cpb1 += VecmathUtil.Negate(b1pvec); var seg = new QuadraticBezierSegment { Point1 = new Point(cpb1.X, cpb1.Y), Point2 = new Point(b1p2.X + b1pvec.X, b1p2.Y + b1pvec.Y) }; pf.Segments.Add(seg); path.Figures.Add(pf); } { // bracket 2 (cp: control point) var pf = new PathFigure { StartPoint = new Point(b2p1.X + b2pvec.X, b2p1.Y + b2pvec.Y) }; var cpb2 = VecmathUtil.Midpoint(b2p1, b2p2); cpb2 += VecmathUtil.Negate(b2pvec); var seg = new QuadraticBezierSegment { Point1 = new Point(cpb2.X, cpb2.Y), Point2 = new Point(b2p2.X + b2pvec.X, b2p2.Y + b2pvec.Y) }; pf.Segments.Add(seg); path.Figures.Add(pf); } } else { { // bracket 1 var pf = new PathFigure { StartPoint = new Point(b1p1.X + b1pvec.X, b1p1.Y + b1pvec.Y) }; var seg = new PolyLineSegment(); seg.Points.Add(new Point(b1p1.X, b1p1.Y)); seg.Points.Add(new Point(b1p2.X, b1p2.Y)); seg.Points.Add(new Point(b1p2.X + b1pvec.X, b1p2.Y + b1pvec.Y)); pf.Segments.Add(seg); path.Figures.Add(pf); } { // bracket 2 var pf = new PathFigure { StartPoint = new Point(b2p1.X + b2pvec.X, b2p1.Y + b2pvec.Y) }; var seg = new PolyLineSegment(); seg.Points.Add(new Point(b2p1.X, b2p1.Y)); seg.Points.Add(new Point(b2p2.X, b2p2.Y)); seg.Points.Add(new Point(b2p2.X + b2pvec.X, b2p2.Y + b2pvec.Y)); pf.Segments.Add(seg); path.Figures.Add(pf); } } result.Add(GeneralPath.OutlineOf(path, stroke, foreground)); } // work out where to put the suffix labels (e.g. ht/hh/eu) superscript // and (e.g. n, xl, c, mix) subscript // TODO: could be improved var b1MaxX = Math.Max(b1p1.X, b1p2.X); var b2MaxX = Math.Max(b2p1.X, b2p2.X); var b1MaxY = Math.Max(b1p1.Y, b1p2.Y); var b2MaxY = Math.Max(b2p1.Y, b2p2.Y); var subSufPnt = b2p2; var supSufPnt = b2p1; var subpvec = b2pvec; var bXDiff = b1MaxX - b2MaxX; var bYDiff = b1MaxY - b2MaxY; if (bXDiff > EQUIV_THRESHOLD || (bXDiff > -EQUIV_THRESHOLD && bYDiff < -EQUIV_THRESHOLD)) { subSufPnt = b1p2; supSufPnt = b1p1; subpvec = b1pvec; } var xDiff = subSufPnt.X - supSufPnt.X; var yDiff = subSufPnt.Y - supSufPnt.Y; if (yDiff > EQUIV_THRESHOLD || (yDiff > -EQUIV_THRESHOLD && xDiff > EQUIV_THRESHOLD)) { var tmpP = subSufPnt; subSufPnt = supSufPnt; supSufPnt = tmpP; } // subscript/superscript suffix annotation if (subscriptSuffix != null && subscriptSuffix.Any()) { var subscriptOutline = LeftAlign(MakeText(subscriptSuffix.ToLowerInvariant(), subSufPnt, subpvec, labelScale)); result.Add(GeneralPath.ShapeOf(subscriptOutline.GetOutline(), foreground)); } if (superscriptSuffix != null && superscriptSuffix.Any()) { var superscriptOutline = LeftAlign(MakeText(superscriptSuffix.ToLowerInvariant(), supSufPnt, subpvec, labelScale)); result.Add(GeneralPath.ShapeOf(superscriptOutline.GetOutline(), foreground)); } } return(result); }
public IRenderingElement Generate() { if (!delocalisedDonuts) { return(null); } var group = new ElementGroup(); smallest = Cycles.EdgeShort.Find(mol).ToRingSet(); foreach (var ring in smallest) { if (!CanDelocalise(ring)) { continue; } foreach (var bond in ring.Bonds) { bonds.Add(bond); } int charge = 0; int unpaired = 0; foreach (var atom in ring.Atoms) { var q = atom.FormalCharge ?? 0; if (q == 0) { continue; } int nCyclic = 0; foreach (var bond in mol.GetConnectedBonds(atom)) { if (bond.IsInRing) { nCyclic++; } } if (nCyclic > 2) { continue; } atoms.Add(atom); charge += q; } var p2 = GeometryUtil.Get2DCenter(ring); if (charge != 0) { var qText = charge < 0 ? "–" : "+"; if (charge < -1) { qText = Math.Abs(charge) + qText; } else if (charge > +1) { qText = Math.Abs(charge) + qText; } TextOutline qSym = new TextOutline(qText, font, emSize); qSym = qSym.Resize(1 / scale, -1 / scale); qSym = qSym.Translate(p2.X - qSym.GetCenter().X, p2.Y - qSym.GetCenter().Y); group.Add(GeneralPath.ShapeOf(qSym.GetOutline(), fgColor)); } double s = GeometryUtil.GetBondLengthMedian(ring); double n = ring.Bonds.Count; double r = s / (2 * Math.Tan(Math.PI / n)); group.Add(new OvalElement(new WPF::Point(p2.X, p2.Y), r - 1.5 * dbSpacing, stroke, false, fgColor)); } return(group); }