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f00735a310
* Fix the arrow heads. * Tidy. * Looser tolerance on test. --------- Co-authored-by: David Cosgrove <david@cozchemix.co.uk>
259 lines
10 KiB
C++
259 lines
10 KiB
C++
//
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// Copyright (C) 2021-2022 David Cosgrove and other RDKit contributors
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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// Original author: David Cosgrove (CozChemIx Limited)
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//
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// A set of shapes used in 2D drawing.d Not part of the public API.
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#ifndef RDKIT_DRAWSHAPE_H
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#define RDKIT_DRAWSHAPE_H
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#include <vector>
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#include <Geometry/point.h>
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#include <GraphMol/MolDraw2D/MolDraw2DHelpers.h>
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namespace RDKit {
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class MolDraw2D;
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const DashPattern noDash;
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const DashPattern dots{2.0, 6.0};
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const DashPattern dashes{6.0, 4.0};
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const DashPattern shortDashes{2.0, 2.0};
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namespace MolDraw2D_detail {
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struct StringRect;
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class DrawShape {
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public:
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DrawShape(const std::vector<Point2D> &points, double lineWidth = 2.0,
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bool scaleLineWidth = false,
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DrawColour lineColour = DrawColour(0, 0, 0), bool fill = false,
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int atom1 = -1, int atom2 = -1, int bond = -1);
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DrawShape(const DrawShape &) = delete;
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DrawShape(DrawShape &&) = delete;
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virtual ~DrawShape() = default;
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DrawShape &operator=(const DrawShape &) = delete;
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DrawShape &operator=(DrawShape &&) = delete;
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void draw(MolDraw2D &drawer);
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virtual void myDraw(MolDraw2D &drawer) const = 0;
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virtual void findExtremes(double &xmin, double &xmax, double &ymin,
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double &ymax) const;
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virtual void scale(const Point2D &scale_factor);
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virtual void move(const Point2D &trans);
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virtual bool doesRectClash(const StringRect &rect, double padding) const;
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std::vector<Point2D> points_;
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double lineWidth_;
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bool scaleLineWidth_;
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DrawColour lineColour_;
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bool fill_;
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int atom1_, atom2_, bond_;
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};
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class DrawShapeArrow : public DrawShape {
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public:
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DrawShapeArrow(const std::vector<Point2D> &points, double lineWidth = 2.0,
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bool scaleLineWidth = false,
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DrawColour lineColour = DrawColour(0, 0, 0), bool fill = false,
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int atom1 = -1, int atom2 = -1, int bond = -1,
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double frac = 0.2, double angle = M_PI / 6);
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DrawShapeArrow(const DrawShapeArrow &) = delete;
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DrawShapeArrow(DrawShapeArrow &&) = delete;
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~DrawShapeArrow() override = default;
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DrawShapeArrow &operator=(const DrawShapeArrow &) = delete;
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DrawShapeArrow &operator=(DrawShapeArrow &&) = delete;
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void myDraw(MolDraw2D &drawer) const override;
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void findExtremes(double &xmin, double &xmax, double &ymin,
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double &ymax) const override;
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void scale(const Point2D &scale_factor) override;
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void move(const Point2D &trans) override;
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bool doesRectClash(const StringRect &rect, double padding) const override;
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double frac_;
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double angle_;
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Point2D origPts_[4]{{0.0, 0.0}, {0.0, 0.0}, {0.0, 0.0}, {0.0, 0.0}};
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};
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class DrawShapeEllipse : public DrawShape {
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public:
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// Points should be size 2 - the first entry is the centre, the second
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// gives the x and y radii of the ellipse.
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DrawShapeEllipse(const std::vector<Point2D> &points, double lineWidth = 2,
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bool scaleLineWidth = false,
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DrawColour lineColour = DrawColour(0, 0, 0),
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bool fill = false, int atom1 = -1);
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DrawShapeEllipse(const DrawShapeEllipse &) = delete;
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DrawShapeEllipse(DrawShapeEllipse &&) = delete;
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~DrawShapeEllipse() override = default;
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DrawShapeEllipse &operator=(const DrawShapeEllipse &) = delete;
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DrawShapeEllipse &operator=(DrawShapeEllipse &&) = delete;
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void myDraw(MolDraw2D &drawer) const override;
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void findExtremes(double &xmin, double &xmax, double &ymin,
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double &ymax) const override;
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void move(const Point2D &trans) override;
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bool doesRectClash(const StringRect &rect, double padding) const override;
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};
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class DrawShapeSimpleLine : public DrawShape {
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public:
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DrawShapeSimpleLine(const std::vector<Point2D> &points,
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double lineWidth = 2.0, bool scaleLineWidth = false,
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DrawColour lineColour = DrawColour(0, 0, 0),
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int atom1 = -1, int atom2 = -1, int bond = -1,
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DashPattern dashPattern = noDash);
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DrawShapeSimpleLine(const DrawShapeSimpleLine &) = delete;
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DrawShapeSimpleLine(DrawShapeSimpleLine &&) = delete;
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~DrawShapeSimpleLine() override = default;
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DrawShapeSimpleLine &operator=(const DrawShapeSimpleLine &) = delete;
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DrawShapeSimpleLine &operator=(DrawShapeSimpleLine &&) = delete;
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void myDraw(MolDraw2D &drawer) const override;
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bool doesRectClash(const StringRect &rect, double padding) const override;
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DashPattern dashPattern_;
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};
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class DrawShapePolyLine : public DrawShape {
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public:
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DrawShapePolyLine(const std::vector<Point2D> &points, double lineWidth = 2.0,
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bool scaleLineWidth = false,
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DrawColour lineColour = DrawColour(0, 0, 0),
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bool fill = false, int atom1 = -1, int atom2 = -1,
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int bond = -1, DashPattern dashPattern = noDash);
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DrawShapePolyLine(const DrawShapePolyLine &) = delete;
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DrawShapePolyLine(DrawShapePolyLine &&) = delete;
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~DrawShapePolyLine() override = default;
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DrawShapePolyLine &operator=(const DrawShapePolyLine &) = delete;
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DrawShapePolyLine &operator=(DrawShapePolyLine &&) = delete;
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void myDraw(MolDraw2D &drawer) const override;
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bool doesRectClash(const StringRect &rect, double padding) const override;
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DashPattern dashPattern_;
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};
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class DrawShapeSolidWedge : public DrawShape {
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public:
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DrawShapeSolidWedge(const std::vector<Point2D> points, const DrawColour &col1,
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const DrawColour &col2, bool splitBonds,
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std::vector<Point2D> &otherBondVecs,
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double lineWidth = 1.0, int atom1 = -1, int atom2 = -1,
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int bond = -1);
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DrawShapeSolidWedge(const DrawShapeSolidWedge &) = delete;
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DrawShapeSolidWedge(DrawShapeSolidWedge &&) = delete;
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~DrawShapeSolidWedge() override = default;
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DrawShapeSolidWedge &operator=(const DrawShapeSolidWedge &) = delete;
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DrawShapeSolidWedge &operator=(DrawShapeSolidWedge &&) = delete;
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void buildTriangles();
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void buildSingleColorTriangles();
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void buildTwoColorTriangles();
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void myDraw(MolDraw2D &drawer) const override;
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bool doesRectClash(const StringRect &rect, double padding) const override;
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// if otherBondVecs_.size() > 2, then we only want the two vecs with the
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// widest angle between them.
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void trimOtherBondVecs();
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// if there are 2 otherBondVecs_ (assuming we've already trimmed down to 2 if
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// necessary) make sure the first is on the points_[1] side, the second on
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// the points_[2] side, so that the merging of the triangles to the bond
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// lines is correct.
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void orderOtherBondVecs();
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DrawColour col2_;
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bool splitBonds_;
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std::vector<Point2D> otherBondVecs_;
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};
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class DrawShapeDashedWedge : public DrawShape {
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public:
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// oneLessDash means that the last dash at the fat end of the wedge
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// isn't drawn. The wedge will be as fat as it would have been with
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// the extra dash. This is so that bonds coming out of the fat end
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// of the wedge aren't directly incident on a dash.
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DrawShapeDashedWedge(const std::vector<Point2D> points,
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const DrawColour &col1, const DrawColour &col2,
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bool oneLessDash = true, double lineWidth = 1.0,
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int atom1 = -1, int atom2 = -1, int bond = -1);
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DrawShapeDashedWedge(const DrawShapeDashedWedge &) = delete;
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DrawShapeDashedWedge(DrawShapeDashedWedge &&) = delete;
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~DrawShapeDashedWedge() override = default;
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DrawShapeDashedWedge &operator=(const DrawShapeDashedWedge &) = delete;
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DrawShapeDashedWedge &operator=(DrawShapeDashedWedge &&) = delete;
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void buildLines();
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void myDraw(MolDraw2D &drawer) const override;
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void scale(const Point2D &scale_factor) override;
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void move(const Point2D &trans) override;
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void findExtremes(double &xmin, double &xmax, double &ymin,
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double &ymax) const override;
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bool doesRectClash(const StringRect &rect, double padding) const override;
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DrawColour col2_;
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bool oneLessDash_;
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std::vector<DrawColour> lineColours_;
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// for when we re-create the lines, such as after scaling, this is
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// the initial points[0-2] from the c'tor.
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Point2D at1Cds_, end1Cds_, end2Cds_;
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};
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class DrawShapeWavyLine : public DrawShape {
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public:
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DrawShapeWavyLine(const std::vector<Point2D> points, double lineWidth = 2.0,
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bool scaleLineWidth = false,
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const DrawColour &col1 = DrawColour(0, 0, 0),
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const DrawColour &col2 = DrawColour(0, 0, 0),
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double offset = 0.05, int atom1 = -1, int atom2 = -1,
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int bond = -1);
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DrawShapeWavyLine(const DrawShapeWavyLine &) = delete;
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DrawShapeWavyLine(DrawShapeWavyLine &&) = delete;
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~DrawShapeWavyLine() override = default;
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DrawShapeWavyLine &operator=(const DrawShapeWavyLine &) = delete;
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DrawShapeWavyLine &operator=(DrawShapeWavyLine &&) = delete;
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void myDraw(MolDraw2D &drawer) const override;
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void scale(const Point2D &scaleFactor) override;
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bool doesRectClash(const StringRect &rect, double padding) const override;
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DrawColour col2_;
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double offset_;
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};
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class DrawShapeArc : public DrawShape {
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public:
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// draw the arc of an ellipse between ang1 and ang2. Note that 0 is
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// at 3 o-clock and 90 at 12 o'clock as you'd expect from your maths.
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// BUT because y increases down the screen, the angles go anticlockwise, such
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// that 90 is actually at 6 o'clock on the screen.
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// ang2 must be > ang1 - it won't draw backwards. Angles in degrees,
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// between 0 and 360.0.
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// Points should be size 2 - the first entry is the centre, the second
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// gives the x and y radii of the ellipse.
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DrawShapeArc(const std::vector<Point2D> points, double ang1, double ang2,
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double lineWidth = 2.0, bool scaleLineWidth = false,
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const DrawColour &col1 = DrawColour(0, 0, 0), bool fill = false,
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int atom1 = -1);
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DrawShapeArc(const DrawShapeArc &) = delete;
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DrawShapeArc(DrawShapeArc &&) = delete;
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~DrawShapeArc() override = default;
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DrawShapeArc &operator=(const DrawShapeArc &) = delete;
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DrawShapeArc &operator=(DrawShapeArc &&) = delete;
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void myDraw(MolDraw2D &drawer) const override;
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void findExtremes(double &xmin, double &xmax, double &ymin,
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double &ymax) const override;
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void move(const Point2D &trans) override;
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bool doesRectClash(const StringRect &rect, double padding) const override;
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double ang1_, ang2_;
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};
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} // namespace MolDraw2D_detail
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} // namespace RDKit
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#endif // RDKIT_DRAWSHAPE_H
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