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ForceFields::CrystalFF::CrystalFFDetails Struct Reference

#include <TorsionPreferences.h>

Public Attributes

std::vector< std::vector< int > > expTorsionAtoms
 
std::vector< std::pair< std::vector< int >, std::vector< double > > > expTorsionAngles
 
std::vector< std::vector< int > > improperAtoms
 
std::vector< std::pair< int, int > > bonds
 
std::vector< std::vector< int > > angles
 
std::vector< int > atomNums
 

Detailed Description

Definition at line 21 of file TorsionPreferences.h.

Member Data Documentation

◆ angles

std::vector<std::vector<int> > ForceFields::CrystalFF::CrystalFFDetails::angles

Definition at line 27 of file TorsionPreferences.h.

◆ atomNums

std::vector<int> ForceFields::CrystalFF::CrystalFFDetails::atomNums

Definition at line 28 of file TorsionPreferences.h.

◆ bonds

std::vector<std::pair<int, int> > ForceFields::CrystalFF::CrystalFFDetails::bonds

Definition at line 26 of file TorsionPreferences.h.

◆ expTorsionAngles

std::vector<std::pair<std::vector<int>, std::vector<double> > > ForceFields::CrystalFF::CrystalFFDetails::expTorsionAngles

Definition at line 24 of file TorsionPreferences.h.

◆ expTorsionAtoms

std::vector<std::vector<int> > ForceFields::CrystalFF::CrystalFFDetails::expTorsionAtoms

Definition at line 22 of file TorsionPreferences.h.

◆ improperAtoms

std::vector<std::vector<int> > ForceFields::CrystalFF::CrystalFFDetails::improperAtoms

Definition at line 25 of file TorsionPreferences.h.


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