Files
rdkit/Code/GraphMol/MolDraw2D/DrawTextSVG.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

136 lines
4.5 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).
//
// A concrete class derived from DrawText that uses SVG
// to draw text onto a picture.
#include <sstream>
#include <boost/algorithm/string.hpp>
#include <boost/format.hpp>
#include <GraphMol/MolDraw2D/MolDraw2DDetails.h>
#include <GraphMol/MolDraw2D/DrawTextSVG.h>
#include <GraphMol/MolDraw2D/MolDraw2DSVG.h>
#include <GraphMol/MolDraw2D/MolDraw2DDetails.h>
namespace RDKit {
std::string DrawColourToSVG(const DrawColour &col);
namespace MolDraw2D_detail {
// ****************************************************************************
DrawTextSVG::DrawTextSVG(double max_fnt_sz, double min_fnt_sz,
std::ostream &oss, std::string &d_act_class)
: DrawTextNotFT(max_fnt_sz, min_fnt_sz),
oss_(oss),
d_active_class_(d_act_class) {}
namespace {
void escape_xhtml(std::string &data) {
boost::algorithm::replace_all(data, "&", "&amp;");
boost::algorithm::replace_all(data, "\"", "&quot;");
boost::algorithm::replace_all(data, "\'", "&apos;");
boost::algorithm::replace_all(data, "<", "&lt;");
boost::algorithm::replace_all(data, ">", "&gt;");
}
} // namespace
// ****************************************************************************
// draw the char, with the bottom left hand corner at cds
void DrawTextSVG::drawChar(char c, const Point2D &cds) {
unsigned int fontSz = fontSize();
std::string col = DrawColourToSVG(colour());
oss_ << "<text";
oss_ << " x='" << MolDraw2D_detail::formatDouble(cds.x);
oss_ << "' y='" << MolDraw2D_detail::formatDouble(cds.y) << "'";
if (!d_active_class_.empty()) {
oss_ << " class='" << d_active_class_ << "'";
}
std::string cs;
cs += c;
escape_xhtml(cs);
oss_ << " style='font-size:" << fontSz
<< "px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;"
"font-family:sans-serif;text-anchor:start;"
<< "fill:" << col << "'";
oss_ << " >";
oss_ << cs;
oss_ << "</text>" << std::endl;
}
// ****************************************************************************
void DrawTextSVG::getStringRects(
const std::string &text, std::vector<std::shared_ptr<StringRect>> &rects,
std::vector<TextDrawType> &draw_modes,
std::vector<char> &draw_chars) const {
double running_x = 0.0;
double act_font_size = fontSize();
double char_height;
double max_width = 0.0;
TextDrawType draw_mode = TextDrawType::TextDrawNormal;
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_modes.push_back(draw_mode);
draw_chars.push_back(text[i]);
max_width = std::max(
max_width,
static_cast<double>(MolDraw2D_detail::char_widths[(int)text[i]]));
}
for (size_t i = 0; i < draw_chars.size(); ++i) {
double char_width =
0.6 * act_font_size *
static_cast<double>(MolDraw2D_detail::char_widths[(int)draw_chars[i]]) /
max_width;
// Absent a proper set of font metrics (we don't know what font we'll be
// using, for starters) this is something of an empirical bodge.
if (draw_chars[i] == '+') {
char_height = 0.6 * act_font_size;
} else if (draw_chars[i] == '-') {
char_height = 0.4 * act_font_size;
} else {
char_height = 0.8 * act_font_size;
}
double cscale = selectScaleFactor(draw_chars[i], draw_modes[i]);
char_height *= cscale;
char_width *= cscale;
Point2D offset(char_width / 2, char_height / 2);
if (draw_chars[i] == '+' || draw_chars[i] == '-') {
offset.y /= 2.0;
}
Point2D g_centre(char_width / 2, char_height / 2);
rects.push_back(std::shared_ptr<StringRect>(
new StringRect(offset, g_centre, char_width, char_height)));
rects.back()->trans_.x += running_x;
// empirical spacing.
if (draw_modes[i] != TextDrawType::TextDrawNormal) {
running_x += char_width * 1.05;
} else {
running_x += char_width * 1.15;
}
}
for (auto r : rects) {
r->g_centre_.y = act_font_size - r->g_centre_.y;
r->offset_.y = act_font_size / 2.0;
}
adjustStringRectsForSuperSubScript(draw_modes, rects);
}
} // namespace MolDraw2D_detail
} // namespace RDKit