// // Copyright (C) 2021-2023 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 Limited) // #include #include #include namespace RDKit { namespace MolDraw2D_detail { // **************************************************************************** DrawMolMCH::DrawMolMCH( const ROMol &mol, const std::string &legend, int width, int height, MolDrawOptions &drawOptions, DrawText &textDrawer, const std::map> &highlight_atom_map, const std::map> &highlight_bond_map, const std::map &highlight_radii, const std::map &highlight_linewidth_multipliers, int confId) : DrawMol(mol, legend, width, height, drawOptions, textDrawer, nullptr, nullptr, nullptr, nullptr, nullptr, &highlight_radii, confId), mcHighlightAtomMap_(highlight_atom_map), mcHighlightBondMap_(highlight_bond_map), highlightLinewidthMultipliers_(highlight_linewidth_multipliers) {} // **************************************************************************** void DrawMolMCH::extractHighlights(double scale) { DrawMol::extractHighlights(scale); extractMCHighlights(); } // **************************************************************************** void DrawMolMCH::getAtomRadius(unsigned int atomIdx, double &xradius, double &yradius) const { xradius = drawOptions_.highlightRadius; yradius = xradius; if (highlightRadii_.find(atomIdx) != highlightRadii_.end()) { xradius = highlightRadii_.find(atomIdx)->second; yradius = xradius; } } } // namespace MolDraw2D_detail } // namespace RDKit