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7869e086cd
* Add clickable atoms when tagAtoms() is called * add python tests * add class tags for atoms and bonds * add marker to allow easy insertion of extra text
60 lines
1.8 KiB
C++
60 lines
1.8 KiB
C++
//
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// Copyright (C) 2019 Greg Landrum
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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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#define CATCH_CONFIG_MAIN // This tells Catch to provide a main() - only do
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// this in one cpp file
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#include "catch.hpp"
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#include <GraphMol/RDKitBase.h>
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#include <GraphMol/SmilesParse/SmilesParse.h>
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#include <GraphMol/MolDraw2D/MolDraw2D.h>
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#include <GraphMol/MolDraw2D/MolDraw2DSVG.h>
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#include <GraphMol/MolDraw2D/MolDraw2DUtils.h>
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using namespace RDKit;
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TEST_CASE("prepareAndDrawMolecule", "[drawing]") {
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SECTION("basics") {
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auto m1 = "C1N[C@@H]2OCC12"_smiles;
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REQUIRE(m1);
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// we will be able to recognize that the prep worked because there
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// will be an H in the output:
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MolDraw2DSVG drawer(200, 200);
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MolDraw2DUtils::prepareAndDrawMolecule(drawer, *m1);
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drawer.finishDrawing();
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std::string text = drawer.getDrawingText();
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CHECK(text.find("<tspan>H</tspan>") != std::string::npos);
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}
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}
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TEST_CASE("tag atoms in SVG", "[drawing, SVG]") {
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SECTION("basics") {
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auto m1 = "C1N[C@@H]2OCC12"_smiles;
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REQUIRE(m1);
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MolDraw2DSVG drawer(200, 200);
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MolDraw2DUtils::prepareMolForDrawing(*m1);
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drawer.drawMolecule(*m1);
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std::map<std::string, std::string> actions;
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actions["onclick"] = "alert";
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double radius = 0.2;
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drawer.tagAtoms(*m1, radius, actions);
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drawer.finishDrawing();
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std::string text = drawer.getDrawingText();
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std::ofstream outs("testAtomTags_1.svg");
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outs << text;
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outs.flush();
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CHECK(text.find("<circle") != std::string::npos);
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CHECK(text.find("onclick") != std::string::npos);
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}
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}
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