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);
27 virtual void drawMolecules(
28 const std::vector<ROMOL_SPTR> &mols,
29 const std::vector<std::string> *legends = NULL,
30 const std::vector<std::vector<int> > *highlight_atoms = NULL,
31 const std::vector<std::vector<int> > *highlight_bonds = NULL,
32 const std::vector<std::map<int, DrawColour> > *highlight_atom_maps = NULL,
33 const std::vector<std::map<int, DrawColour> > *highlight_bond_maps = NULL,
34 const std::vector<std::map<int, double> > *highlight_radii = NULL,
35 const std::vector<int> *confIds = NULL);
37 virtual int width()
const {
return width_; }
38 virtual int height()
const {
return height_; }
39 virtual int nRows()
const {
return nRows_; }
40 virtual int nCols()
const {
return nCols_; }
46 unsigned int nRows_, nCols_;
51 std::vector<std::shared_ptr<T> > drawers_;
55 #endif // RDKITMOLDRAW2D_H
virtual int width() const
virtual int nRows() const
MolDrawOptions & drawOptions()
#define RDKIT_MOLDRAW2D_EXPORT
const MolDrawOptions & drawOptions() const
virtual int height() const
virtual int nCols() const
virtual ~MultiMolDraw2D()