RDKit
Open-source cheminformatics and machine learning.
Utilites.h File Reference
#include "../RDKitBase.h"
#include "StructChecker.h"

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Classes

struct  RDKit::StructureCheck::Neighbourhood
 

Namespaces

 RDKit
 Std stuff.
 
 RDKit::StructureCheck
 

Functions

void RDKit::StructureCheck::SetupNeighbourhood (const ROMol &mol, std::vector< Neighbourhood > &neighbour_array)
 
bool RDKit::StructureCheck::getMolAtomPoints (const ROMol &mol, std::vector< RDGeom::Point3D > &atomPoint, bool twod=false)
 
std::string RDKit::StructureCheck::LogNeighbourhood (const ROMol &mol, unsigned int idx, const std::vector< Neighbourhood > &bneighbour_array)