mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-04 21:54:27 +08:00
* 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>
114 lines
3.7 KiB
C++
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
|