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//
// 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 <GraphMol/RWMol.h>
#include <GraphMol/MolDraw2D/MolDraw2DDetails.h>
#include <GraphMol/MolDraw2D/DrawMolMCH.h>
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<int, std::vector<DrawColour>> &highlight_atom_map,
const std::map<int, std::vector<DrawColour>> &highlight_bond_map,
const std::map<int, double> &highlight_radii,
const std::map<int, int> &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
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