RDKit
Open-source cheminformatics and machine learning.
RDKit::MolAlign::MolHistogram Class Reference

#include <O3AAlignMolecules.h>

Public Member Functions

 MolHistogram (const ROMol &mol, const double *dmat, bool cleanupDmat=false)
 
 ~MolHistogram ()
 
int get (const unsigned int y, const unsigned int x) const
 

Detailed Description

Definition at line 132 of file O3AAlignMolecules.h.

Constructor & Destructor Documentation

RDKit::MolAlign::MolHistogram::MolHistogram ( const ROMol mol,
const double *  dmat,
bool  cleanupDmat = false 
)
RDKit::MolAlign::MolHistogram::~MolHistogram ( )
inline

Definition at line 135 of file O3AAlignMolecules.h.

Member Function Documentation

int RDKit::MolAlign::MolHistogram::get ( const unsigned int  y,
const unsigned int  x 
) const
inline

Definition at line 136 of file O3AAlignMolecules.h.

References PRECONDITION.


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