RDKit
Open-source cheminformatics and machine learning.
RDKit::MolAlign::O3AFuncData Struct Reference

#include <O3AAlignMolecules.h>

Public Attributes

const ConformerprbConf
 
const ConformerrefConf
 
void * prbProp
 
void * refProp
 
int coeff
 
int weight
 
bool useMMFFSim
 

Detailed Description

Definition at line 30 of file O3AAlignMolecules.h.

Member Data Documentation

int RDKit::MolAlign::O3AFuncData::coeff

Definition at line 35 of file O3AAlignMolecules.h.

const Conformer* RDKit::MolAlign::O3AFuncData::prbConf

Definition at line 31 of file O3AAlignMolecules.h.

void* RDKit::MolAlign::O3AFuncData::prbProp

Definition at line 33 of file O3AAlignMolecules.h.

Referenced by RDKit::MolAlign::O3A::weights().

const Conformer* RDKit::MolAlign::O3AFuncData::refConf

Definition at line 32 of file O3AAlignMolecules.h.

void* RDKit::MolAlign::O3AFuncData::refProp

Definition at line 34 of file O3AAlignMolecules.h.

Referenced by RDKit::MolAlign::O3A::weights().

bool RDKit::MolAlign::O3AFuncData::useMMFFSim

Definition at line 37 of file O3AAlignMolecules.h.

int RDKit::MolAlign::O3AFuncData::weight

Definition at line 36 of file O3AAlignMolecules.h.

Referenced by RDKit::MolAlign::O3AConstraintVect::append().


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