Files
rdkit/Code/GraphMol/MolDraw2D/DrawTextCairo.cpp
David Cosgrove f93016a77f Refactor mol draw2 d (#4948)
* MolDraw2D refactoring
- rename setupMoleculeDraw->initMoleculeDraw
- track whether or not initDrawing() has been called
- centralize calls to initDrawing() and clearDrawing() into initMoleculeDraw()
- update svg hashes in tests

* update some expected test results

* support changing font scale and default scale
add reaction test

* does not work... this is hard

* all tests pass

* do something about legends

* docs

* more tests

* more docs

* cleanup

* going around in circles...
hopefully converging

* cleanup

* Single bond skeleton works.

* Simple bond drawing seems to be working.

* Initial addition of atom symbols.

* Stash of not-quite-working atom symbols prior to major surgery.

* Atom symbols seem to be working.  Major surgery not required, just inverted Y coords at the outset.

* Add classes to atom labels.

* Renamed AtomLabel AtomSymbol.

* Add highlights.

* Fix bug from PR4839.

* Molecule note.

* Added atom notes.

* Added bond notes.

* Extract radicals.

* Annotation via new DrawAnnotation class.

* Add brackets.

* Add linknodes.

* Add close contacts.

* Add attachment points.  Fix wavy lines.

* Draw molecules in grid.

* Tidy.

* Fix radicals when font has hit maxFontSize.
Make getDrawCoords work.

* Draw primitives take atom or draw coords.

* Fix legends.

* More fixing for tests.  DrawMol::setScale now takes font scale as well.

* tidy debug writes

* Variable fraction of panel for legend.

* Better legend positioning.

* Fix sub- and super-script spacing.
Added spaces to Freetype strings.

* Basic reaction drawing.

* Reaction highlighting.

* Minor tweak to reacctions.

* Tweaked reaction DrawMol widths.

* Fix atomTags.

* Fix catch tests except contours.

* Contouring working in catch_tests.cpp.

* Fix catch tests.

* AtomSymbol and DrawAnnotation into MolDraw2D_detail.

* DrawMol and DrawShape into MolDraw2D_detail.

* DrawText inot MolDraw2D_detail.

* Machete out.

* DrawText goes private.

* Move some stuff about, such as StringRect to its own header.

* Python wrapper compiles (but crashes when Draw imported).

* More tidying.  Python DrawArrow failing.

* Linux changes.

* Fixed error in DrawShapeArrow spotted by valgrind.
Fixed some warnings from gcc.

* Maybe fixed DrawArrow.

* Added basic argparse interface.

* Added newlines.

* Changes in response to review.
Non-const args in move constructors and operator=.
Added missing classes to MolDraw2D_detail.
Deleted move operator= where it had been forgotten.
Fixed copyright dates.

* Deleted all default c'tors in derived classes.

* Changes in response to review:
Wedge widths now a proportion of mean bond length in draw coords..
Add padding below legend when positioning it.

* Fix tests.

* Fix the private/protected mess of the new classes.

* Moved doesLineIntersect etc.

* Reinstate original alignString for non-FT drawings.

* More faffing about with reaction layouts.

* Fix font sizes in testGitHub3391.

* Fix atom notes fitting inside fat wedges.

* Fix molecule annotation font size.

* More fixes of rectangle/triangle collision detection.

* Test for highlight linewidth multiplier.

* Use push_back not emplace_back.

* Attempt at better Freetype char spacing.

* Option to turn off TEST_ASSERT. Currently off.

* Fixed embarrassing maths to do with wedge fatness.

* More tidying post-review.

* Document highlight_linewidth_multipliers.

* Expose baseFontSize to Python.

* Changes in response to review.

* Allow DrawMolecules molecules to be drawn to different scales.

* Fix bond sneaking between C:8 in, for example, reactions.

* Fix bad re-factoring.

* Fix globbing.

* Changes in response to review.

* Add invariant check.

* Add draw option to fix font size.

* suggested changes

* Update catch test results.

* Fix expected freetype results.

* Fix non-freetype drawers.

* Fin non-freetype test results.

* get the Qt drawer working too

* Fix disappearing reaction highlights.

* Changes as result of review.

* Fixed non-FreeType hash codes for reaction SVGs.  Extra comment in catch_tests.

* reactant highlighting was clearning properties

* Fix for failing contour python test.

* fix a non-freetype problem

* swig wrappers working

* Bump timeouts in test.

Co-authored-by: greg landrum <greg.landrum@gmail.com>
Co-authored-by: David Cosgrove <david@cozchemix.co.uk>
2022-02-18 16:30:21 +01:00

114 lines
3.7 KiB
C++

//
// Copyright (C) 2020-2022 David Cosgrove and other RDKit contributors
//
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
// Original author: David Cosgrove (CozChemIx).
//
#include <GraphMol/MolDraw2D/DrawTextCairo.h>
#include <GraphMol/MolDraw2D/MolDraw2D.h>
using namespace std;
namespace RDKit {
namespace MolDraw2D_detail {
// ****************************************************************************
DrawTextCairo::DrawTextCairo(double max_fnt_sz, double min_fnt_sz,
cairo_t *dp_cr)
: DrawTextNotFT(max_fnt_sz, min_fnt_sz), dp_cr_(dp_cr) {
setCairoContext(dp_cr);
}
// ****************************************************************************
// draw the char, with the bottom left hand corner at cds
void DrawTextCairo::drawChar(char c, const Point2D &cds) {
PRECONDITION(dp_cr_, "no draw context");
cairo_set_font_size(dp_cr_, fontSize());
DrawColour col = colour();
cairo_set_source_rgba(dp_cr_, col.r, col.g, col.b, col.a);
char txt[2];
txt[0] = c;
txt[1] = 0;
cairo_move_to(dp_cr_, cds.x, cds.y);
cairo_show_text(dp_cr_, txt);
cairo_stroke(dp_cr_);
}
void DrawTextCairo::setCairoContext(cairo_t *cr) {
dp_cr_ = cr;
if (dp_cr_) {
cairo_select_font_face(dp_cr_, "sans", CAIRO_FONT_SLANT_NORMAL,
CAIRO_FONT_WEIGHT_NORMAL);
cairo_set_font_size(dp_cr_, fontSize());
}
}
// ****************************************************************************
void DrawTextCairo::getStringRects(const string &text,
vector<shared_ptr<StringRect>> &rects,
vector<TextDrawType> &draw_modes,
vector<char> &draw_chars) const {
TextDrawType draw_mode = TextDrawType::TextDrawNormal;
double running_x = 0.0;
char char_str[2];
char_str[1] = 0;
double max_y = 0.0;
double full_fs = fontSize();
auto *p_cr = dp_cr_;
if (p_cr == nullptr) {
// allocate an arbitrarily sized context temporarily
cairo_surface_t *surf =
cairo_image_surface_create(CAIRO_FORMAT_ARGB32, 200, 200);
p_cr = cairo_create(surf);
cairo_surface_destroy(surf); // dp_cr has a reference to this now;
cairo_select_font_face(p_cr, "sans", CAIRO_FONT_SLANT_NORMAL,
CAIRO_FONT_WEIGHT_NORMAL);
}
for (size_t i = 0; i < text.length(); ++i) {
// setStringDrawMode moves i along to the end of any <sub> or <sup>
// markup
if ('<' == text[i] && setStringDrawMode(text, draw_mode, i)) {
continue;
}
draw_chars.push_back(text[i]);
char_str[0] = text[i];
cairo_text_extents_t extents;
cairo_set_font_size(p_cr, selectScaleFactor(text[i], draw_mode) * full_fs);
cairo_text_extents(p_cr, char_str, &extents);
cairo_set_font_size(p_cr, full_fs);
double twidth = extents.width;
double theight = extents.height;
Point2D offset(extents.x_bearing + twidth / 2.0, -extents.y_bearing / 2.0);
Point2D g_centre(offset.x, -extents.y_bearing - theight / 2.0);
rects.push_back(shared_ptr<StringRect>(
new StringRect(offset, g_centre, twidth, theight)));
rects.back()->trans_.x = running_x;
draw_modes.push_back(draw_mode);
running_x += extents.x_advance;
max_y = max(max_y, -extents.y_bearing);
}
for (auto r : rects) {
r->g_centre_.y = max_y - r->g_centre_.y;
r->offset_.y = max_y / 2.0;
}
if (dp_cr_ == nullptr) {
if (cairo_get_reference_count(p_cr) > 0) {
cairo_destroy(p_cr);
}
}
adjustStringRectsForSuperSubScript(draw_modes, rects);
}
} // namespace MolDraw2D_detail
} // namespace RDKit