RDKit
Open-source cheminformatics and machine learning.
RDKit::MultiMolDraw2D< T > Class Template Reference

#include <MultiMolDraw2D.h>

Public Member Functions

 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
 
virtual int height () const
 
virtual int nRows () const
 
virtual int nCols () const
 
MolDrawOptionsdrawOptions ()
 
const MolDrawOptionsdrawOptions () const
 

Detailed Description

template<typename T>
class RDKit::MultiMolDraw2D< T >

Definition at line 20 of file MultiMolDraw2D.h.

Constructor & Destructor Documentation

template<typename T >
RDKit::MultiMolDraw2D< T >::MultiMolDraw2D ( unsigned int  nRows,
unsigned int  nCols,
int  width,
int  height,
bool  globalScaling = true 
)
template<typename T >
virtual RDKit::MultiMolDraw2D< T >::~MultiMolDraw2D ( )
inlinevirtual

Definition at line 25 of file MultiMolDraw2D.h.

References RDKit::MultiMolDraw2D< T >::drawMolecules().

Member Function Documentation

template<typename T >
virtual void RDKit::MultiMolDraw2D< T >::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
template<typename T >
MolDrawOptions& RDKit::MultiMolDraw2D< T >::drawOptions ( )
inline

Definition at line 41 of file MultiMolDraw2D.h.

template<typename T >
const MolDrawOptions& RDKit::MultiMolDraw2D< T >::drawOptions ( ) const
inline

Definition at line 42 of file MultiMolDraw2D.h.

template<typename T >
virtual int RDKit::MultiMolDraw2D< T >::height ( ) const
inlinevirtual

Definition at line 37 of file MultiMolDraw2D.h.

template<typename T >
virtual int RDKit::MultiMolDraw2D< T >::nCols ( ) const
inlinevirtual

Definition at line 39 of file MultiMolDraw2D.h.

template<typename T >
virtual int RDKit::MultiMolDraw2D< T >::nRows ( ) const
inlinevirtual

Definition at line 38 of file MultiMolDraw2D.h.

template<typename T >
virtual int RDKit::MultiMolDraw2D< T >::width ( ) const
inlinevirtual

Definition at line 36 of file MultiMolDraw2D.h.


The documentation for this class was generated from the following file: