MultiMolDraw2D.h
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//
// Copyright (C) 2016 Greg Landrum
// @@ 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.
//
#include <RDGeneral/export.h>
#ifndef RDKITMULTIMOLDRAW2D_H
#define RDKITMULTIMOLDRAW2D_H
#include <vector>
#include <boost/shared_ptr.hpp>
#include <GraphMol/MolDraw2D/MolDraw2D.h>
namespace RDKit {
template <typename T>
class RDKIT_MOLDRAW2D_EXPORT MultiMolDraw2D {
public:
//!
MultiMolDraw2D(unsigned int nRows, unsigned int nCols, int width, int height,
bool globalScaling = true);
virtual ~MultiMolDraw2D() {}
virtual void drawMolecules(
const std::vector<ROMOL_SPTR> &mols,
const std::vector<std::string> *legends = NULL,
const std::vector<std::vector<int>> *highlight_atoms = NULL,
const std::vector<std::vector<int>> *highlight_bonds = NULL,
const std::vector<std::map<int, DrawColour>> *highlight_atom_maps = NULL,
const std::vector<std::map<int, DrawColour>> *highlight_bond_maps = NULL,
const std::vector<std::map<int, double>> *highlight_radii = NULL,
const std::vector<int> *confIds = NULL);
virtual int width() const { return width_; }
virtual int height() const { return height_; }
virtual int nRows() const { return nRows_; }
virtual int nCols() const { return nCols_; }
MolDrawOptions &drawOptions() { return options_; }
const MolDrawOptions &drawOptions() const { return options_; }
private:
unsigned int nRows_, nCols_;
int width_, height_;
bool globalScaling_;
MolDrawOptions options_;
std::vector<std::shared_ptr<T>> drawers_;
};
} // namespace RDKit
#endif // RDKITMOLDRAW2D_H
RDKIT_MOLDRAW2D_EXPORT
#define RDKIT_MOLDRAW2D_EXPORT
Definition: export.h:398
RDKit::MultiMolDraw2D
Definition: MultiMolDraw2D.h:21
MolDraw2D.h
RDKit
Std stuff.
Definition: Atom.h:30
RDKit::MultiMolDraw2D::nRows
virtual int nRows() const
Definition: MultiMolDraw2D.h:39
RDKit::MolDrawOptions
Definition: MolDraw2D.h:89
RDKit::MultiMolDraw2D::drawOptions
const MolDrawOptions & drawOptions() const
Definition: MultiMolDraw2D.h:43
RDKit::MultiMolDraw2D::width
virtual int width() const
Definition: MultiMolDraw2D.h:37
RDKit::MultiMolDraw2D::nCols
virtual int nCols() const
Definition: MultiMolDraw2D.h:40
RDKit::MultiMolDraw2D::~MultiMolDraw2D
virtual ~MultiMolDraw2D()
Definition: MultiMolDraw2D.h:26
RDKit::MultiMolDraw2D::height
virtual int height() const
Definition: MultiMolDraw2D.h:38
RDKit::MultiMolDraw2D::drawOptions
MolDrawOptions & drawOptions()
Definition: MultiMolDraw2D.h:42
export.h