11 #ifndef RDKITMULTIMOLDRAW2D_H
12 #define RDKITMULTIMOLDRAW2D_H
15 #include <boost/shared_ptr.hpp>
24 MultiMolDraw2D(
unsigned int nRows,
unsigned int nCols,
int width,
int height,
25 bool globalScaling =
true);
28 const std::vector<ROMOL_SPTR> &mols,
29 const std::vector<std::string> *legends =
nullptr,
30 const std::vector<std::vector<int>> *highlight_atoms =
nullptr,
31 const std::vector<std::vector<int>> *highlight_bonds =
nullptr,
32 const std::vector<std::map<int, DrawColour>> *highlight_atom_maps =
34 const std::vector<std::map<int, DrawColour>> *highlight_bond_maps =
36 const std::vector<std::map<int, double>> *highlight_radii =
nullptr,
37 const std::vector<int> *confIds =
nullptr);
39 virtual int width()
const {
return width_; }
40 virtual int height()
const {
return height_; }
41 virtual int nRows()
const {
return nRows_; }
42 virtual int nCols()
const {
return nCols_; }
48 unsigned int nRows_, nCols_;
53 std::vector<std::shared_ptr<T>> drawers_;
virtual int nRows() const
virtual int nCols() const
virtual ~MultiMolDraw2D()
virtual int height() const
virtual void drawMolecules(const std::vector< ROMOL_SPTR > &mols, const std::vector< std::string > *legends=nullptr, const std::vector< std::vector< int >> *highlight_atoms=nullptr, const std::vector< std::vector< int >> *highlight_bonds=nullptr, const std::vector< std::map< int, DrawColour >> *highlight_atom_maps=nullptr, const std::vector< std::map< int, DrawColour >> *highlight_bond_maps=nullptr, const std::vector< std::map< int, double >> *highlight_radii=nullptr, const std::vector< int > *confIds=nullptr)
const MolDrawOptions & drawOptions() const
virtual int width() const
MultiMolDraw2D(unsigned int nRows, unsigned int nCols, int width, int height, bool globalScaling=true)
MolDrawOptions & drawOptions()
#define RDKIT_MOLDRAW2D_EXPORT