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578b56a7c5
* Move atom labels round if they clash. * Tidy. * Re-work orientation logic. Remove virtual fns from AtomSymbol. --------- Co-authored-by: David Cosgrove <david@cozchemix.co.uk>
91 lines
2.9 KiB
C++
91 lines
2.9 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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// This class is a helper class used by MolDraw2D to draw an ROMol.
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// It is not part of the public API and is not intended to be used except
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// by MolDraw2D.
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// It holds the information needed to draw an atom symbol, including
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// all the extra bits like isotope labels.
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#ifndef RDKIT_ATOMSYMBOL_H
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#define RDKIT_ATOMSYMBOL_H
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#include <string>
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#include <GraphMol/MolDraw2D/DrawText.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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namespace MolDraw2D_detail {
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class AtomSymbol {
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public:
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~AtomSymbol() = default;
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/*!
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*
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* @param symbol : the full symbol
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* @param atIdx : index of atom that this is the symbol of
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* @param orient : text orientation (up, down, left, right)
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* @param cds : coords for symbol
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* @param colour : colour for symbol
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* @param textDrawer : instance of DrawText to get the character sizes
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* etc.
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*/
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AtomSymbol(const std::string &symbol, int atIdx, OrientType orient,
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const Point2D &cds, const DrawColour &colour,
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DrawText &textDrawer);
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AtomSymbol(const AtomSymbol &) = delete;
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AtomSymbol(AtomSymbol &&) = delete;
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AtomSymbol &operator=(const AtomSymbol &) = delete;
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AtomSymbol &operator=(AtomSymbol &&) = delete;
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std::string symbol_;
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int atIdx_;
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OrientType orient_;
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Point2D cds_;
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DrawColour colour_;
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DrawText &textDrawer_;
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std::vector<std::shared_ptr<StringRect>> rects_;
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std::vector<TextDrawType> drawModes_;
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std::vector<char> drawChars_;
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// expects xmin etc to be initialised to something sensible.
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void findExtremes(double &xmin, double &xmax, double &ymin,
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double &ymax) const;
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// scaleFactor moves the cds_, but the fontScaleFactor changes rects_, because
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// we might be scaling the font differently from the drawing as a whole.
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void scale(const Point2D &scaleFactor);
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void move(const Point2D &trans);
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void recalculateRects();
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void draw(MolDraw2D &molDrawer) const;
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bool doesRectClash(const StringRect &rect, double padding) const;
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// Because a colon is a lot shorter than other characters, there are cases,
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// such as rxn_test1_2 in rxn_test1.cpp, where a vertical bond can slip
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// between the atom symbol and the atom map (C:8 in that case) which looks
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// a bit pants. This stretches the colon to be the same height as the
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// smaller of the chars on either side.
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void adjustColons();
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// this is for debugging almost always.
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void drawRects(MolDraw2D &molDrawer) const;
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};
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} // namespace MolDraw2D_detail
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} // namespace RDKit
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#endif // RDKIT_ATOMSYMBOL_H
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