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Feat/use draw color in drawString() (#8334)

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* change exception type for bad user input in the MCH code

* use the current draw color with drawText
This commit is contained in:
Greg Landrum
2025-03-08 10:46:39 +01:00
committed by GitHub
parent cad6962a37
commit fe5ccb7d47
3 changed files with 33 additions and 3 deletions
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9
Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.cpp
View File

@@ -60,6 +60,10 @@ void DrawMolMCHCircleAndLine::makeBondHighlights(
std::vector<std::unique_ptr<DrawShape>> &bondHighlights) {
for (auto hb : mcHighlightBondMap_) {
auto bond_idx = hb.first;
if (bond_idx < 0 ||
static_cast<unsigned>(bond_idx) >= drawMol_->getNumBonds()) {
throw ValueErrorException("Bond index out of range");
}
auto lineWidth = drawOptions_.bondLineWidth;
if (!drawOptions_.fillHighlights) {
lineWidth = getHighlightBondWidth(drawOptions_, bond_idx,
@@ -150,6 +154,11 @@ void DrawMolMCHCircleAndLine::makeBondHighlights(
void DrawMolMCHCircleAndLine::makeAtomHighlights(
std::vector<std::unique_ptr<DrawShape>> &atomHighlights) {
for (auto &ha : mcHighlightAtomMap_) {
if (ha.first < 0 ||
static_cast<unsigned>(ha.first) >= drawMol_->getNumAtoms()) {
throw ValueErrorException("Atom index out of range");
}
double xradius, yradius;
Point2D centre;
int lineWidth = getHighlightBondWidth(drawOptions_, -1, nullptr);

2
Code/GraphMol/MolDraw2D/MolDraw2D.cpp
View File

@@ -500,6 +500,7 @@ void MolDraw2D::drawPlus(const Point2D &plusPos, int plusWidth,
// draws the string centred on cds
void MolDraw2D::drawString(const string &str, const Point2D &cds,
bool rawCoords) {
text_drawer_->setColour(colour());
auto draw_cds = rawCoords ? cds : getDrawCoords(cds);
text_drawer_->drawString(str, draw_cds, MolDraw2D_detail::OrientType::N);
// int olw = lineWidth();
@@ -513,6 +514,7 @@ void MolDraw2D::drawString(const string &str, const Point2D &cds,
void MolDraw2D::drawString(const std::string &str, const Point2D &cds,
MolDraw2D_detail::TextAlignType talign,
bool rawCoords) {
text_drawer_->setColour(colour());
auto draw_cds = rawCoords ? cds : getDrawCoords(cds);
text_drawer_->drawString(str, draw_cds, talign);
}

25
Code/GraphMol/MolDraw2D/catch_tests.cpp
View File

@@ -10088,7 +10088,7 @@ TEST_CASE("idx out of bounds should not cause a segfault") {
REQUIRE_THROWS_AS(
drawer.drawMoleculeWithHighlights(*m, "nocrash", atomCols, bondCols,
atomRads, bondMults),
Invar::Invariant);
ValueErrorException);
}
{
MolDraw2DSVG drawer(300, 300, -1, -1, NO_FREETYPE);
@@ -10099,7 +10099,7 @@ TEST_CASE("idx out of bounds should not cause a segfault") {
REQUIRE_THROWS_AS(
drawer.drawMoleculeWithHighlights(*m, "nocrash", atomCols, bondCols,
atomRads, bondMults),
Invar::Invariant);
ValueErrorException);
}
{
MolDraw2DSVG drawer(300, 300, -1, -1, NO_FREETYPE);
@@ -10119,7 +10119,7 @@ TEST_CASE("idx out of bounds should not cause a segfault") {
REQUIRE_THROWS_AS(
drawer.drawMoleculeWithHighlights(*m, "nocrash", atomCols, bondCols,
atomRads, bondMults),
Invar::Invariant);
ValueErrorException);
}
}
@@ -10608,4 +10608,23 @@ TEST_CASE("standard colours for highlighted atoms") {
std::sregex_iterator()));
CHECK(match_count_hs == 1);
}
}
TEST_CASE("drawString() uses drawColour") {
auto m = "CCC"_smiles;
REQUIRE(m);
MolDraw2DSVG drawer(300, 300, -1, -1, NO_FREETYPE);
drawer.drawMolecule(*m);
drawer.drawString("default Z", RDGeom::Point2D(100, 20), true);
drawer.setColour(DrawColour(0.3, 0.3, 1.0));
drawer.drawString("blue X", RDGeom::Point2D(100, 200), true);
drawer.finishDrawing();
auto text = drawer.getDrawingText();
std::ofstream outs("testDrawTextColour.svg");
outs << text;
outs.close();
// The default color:
CHECK(text.find("#000000' >Z</text>") != std::string::npos);
// The blue color:
CHECK(text.find("#4C4CFF' >X</text>") != std::string::npos);
}