Open-source cheminformatics and machine learning.
RDKit::FMCS::NewBond Struct Reference

#include <Seed.h>

Public Member Functions

 NewBond ()
 NewBond (unsigned from_atom, unsigned bond_idx, unsigned new_atom, unsigned to_atom, const Atom *a)

Public Attributes

unsigned SourceAtomIdx
unsigned BondIdx
unsigned NewAtomIdx
const AtomNewAtom
unsigned EndAtomIdx

Detailed Description

Definition at line 33 of file Seed.h.

Constructor & Destructor Documentation

RDKit::FMCS::NewBond::NewBond ( )

Definition at line 44 of file Seed.h.

RDKit::FMCS::NewBond::NewBond ( unsigned  from_atom,
unsigned  bond_idx,
unsigned  new_atom,
unsigned  to_atom,
const Atom a 

Definition at line 51 of file Seed.h.

Member Data Documentation

unsigned RDKit::FMCS::NewBond::BondIdx

Definition at line 35 of file Seed.h.

unsigned RDKit::FMCS::NewBond::EndAtomIdx

Definition at line 41 of file Seed.h.

const Atom* RDKit::FMCS::NewBond::NewAtom

Definition at line 39 of file Seed.h.

unsigned RDKit::FMCS::NewBond::NewAtomIdx

Definition at line 37 of file Seed.h.

unsigned RDKit::FMCS::NewBond::SourceAtomIdx

Definition at line 34 of file Seed.h.

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