/// <summary>
/// Access the center point of the symbol. The center point is determined by
/// the alignment.
/// </summary>
/// <returns>center point</returns>
public Point GetAlignmentCenter()
{
if (alignment == SymbolAlignment.Left)
{
return(element.GetFirstGlyphCenter());
}
else if (alignment == SymbolAlignment.Right)
{
return(element.GetLastGlyphCenter());
}
else
{
return(element.GetCenter());
}
}
private static TextOutline LeftAlign(TextOutline outline)
{
var center = outline.GetCenter();
var first = outline.GetFirstGlyphCenter();
return(outline.Translate(center.X - first.X, center.Y - first.Y));
}
public void AlignToCenter()
{
TextOutline outline = new TextOutline("Cl", font, emSize);
AtomSymbol symbol = new AtomSymbol(outline, Array.Empty <TextOutline>());
AssertCloseTo(outline.GetCenter(), symbol.AlignTo(Center).GetAlignmentCenter(), 0.01);
}
[TestMethod()] // Font bounds vary between systems
public void UntransformedCenter()
{
TextOutline clOutline = new TextOutline("Cl", font, emSize);
var center = clOutline.GetCenter();
Assert.AreEqual(5.62, center.X, 0.01);
Assert.AreEqual(-4.47, center.Y, 0.01);
}
public void TestGetLastGlyphCenter()
{
TextOutline original = new TextOutline("Cl", font, emSize);
var oCenter = original.GetCenter();
var tCenter = original.GetLastGlyphCenter();
Assert.IsTrue(tCenter.X > oCenter.X);
}
public void ResizeMaintainsCenter()
{
TextOutline clOutline = new TextOutline("Cl", font, emSize);
var orgCenter = clOutline.GetCenter();
var newCenter = clOutline.Resize(21, 5).GetCenter();
Assert.AreEqual(newCenter.X, orgCenter.X, 0.01);
Assert.AreEqual(newCenter.Y, orgCenter.Y, 0.01);
}
public void TransformedCenter()
{
TextOutline original = new TextOutline("Cl", font, emSize);
TextOutline transformed = original.Translate(0, -5);
var oCenter = original.GetCenter();
var tCenter = transformed.GetCenter();
Assert.AreEqual(oCenter.X, tCenter.X, 0.01);
Assert.AreEqual(oCenter.Y - 5, tCenter.Y, 0.01);
}
/// <summary>
/// Determines the transformed centre of a specified glyph.
/// </summary>
/// <param name="index">glyph index</param>
/// <returns>center point</returns>
private Point GetGlyphCenter(int index)
{
if (text.Length == 1)
{
return(GetCenter());
}
else if (index == 0)
{
var o1 = new TextOutline(text.Substring(0, 1), typeface, emSize, transform);
var center = o1.GetCenter();
return(transform.Transform(center));
}
else
{
var o1 = new TextOutline(text.Substring(0, index), typeface, emSize, transform);
var o2 = new TextOutline(text.Substring(0, index + 1), typeface, emSize, transform);
var b1 = o1.GetBounds();
var b2 = o2.GetBounds();
return(new Point((b1.Right + b2.Right) / 2, (b2.Top + b2.Bottom) / 2));
}
}
/// <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);
}
/// <summary>
/// Generate an annotation 'label' for an atom (located at 'basePoint'). The label is offset from
/// the basePoint by the provided 'distance' and 'direction'.
/// </summary>
/// <param name="basePoint">the relative (0,0) reference</param>
/// <param name="label">the annotation text</param>
/// <param name="direction">the direction along which the label is laid out</param>
/// <param name="distance">the distance along the direct to travel</param>
/// <param name="scale">the font scale of the label</param>
/// <param name="font">the font to use</param>
/// <param name="symbol">the atom symbol to avoid overlap with</param>
/// <returns>the position text outline for the annotation</returns>
internal static TextOutline GenerateAnnotation(Vector2 basePoint, string label, Vector2 direction, double distance, double scale, Typeface font, double emSize, AtomSymbol symbol)
{
var italicHint = label.StartsWith(ItalicDisplayPrefix);
label = italicHint ? label.Substring(ItalicDisplayPrefix.Length) : label;
var annFont = italicHint ? new Typeface(font.FontFamily, WPF.FontStyles.Italic, font.Weight, font.Stretch) : font;
var annOutline = new TextOutline(label, annFont, emSize).Resize(scale, -scale);
// align to the first or last character of the annotation depending on the direction
var center = direction.X > 0.3 ? annOutline.GetFirstGlyphCenter() : direction.X < -0.3 ? annOutline.GetLastGlyphCenter() : annOutline.GetCenter();
// Avoid atom symbol
if (symbol != null)
{
var intersect = symbol.GetConvexHull().Intersect(VecmathUtil.ToPoint(basePoint), VecmathUtil.ToPoint(VecmathUtil.Sum(basePoint, direction)));
// intersect should never be null be check against this
if (intersect != null)
{
basePoint = VecmathUtil.ToVector(intersect);
}
}
direction *= distance;
direction += basePoint;
// move to position
return(annOutline.Translate(direction.X - center.X, direction.Y - center.Y));
}