RDKit
Open-source cheminformatics and machine learning.
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Public Member Functions | Public Attributes | List of all members
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 {0}
 
unsigned BondIdx {0}
 
unsigned NewAtomIdx {0}
 
const Atom * NewAtom {nullptr}
 
unsigned EndAtomIdx {0}
 

Detailed Description

Definition at line 35 of file Seed.h.

Constructor & Destructor Documentation

◆ NewBond() [1/2]

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

Definition at line 46 of file Seed.h.

◆ NewBond() [2/2]

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

Definition at line 50 of file Seed.h.

Member Data Documentation

◆ BondIdx

unsigned RDKit::FMCS::NewBond::BondIdx {0}

Definition at line 37 of file Seed.h.

◆ EndAtomIdx

unsigned RDKit::FMCS::NewBond::EndAtomIdx {0}

Definition at line 43 of file Seed.h.

◆ NewAtom

const Atom* RDKit::FMCS::NewBond::NewAtom {nullptr}

Definition at line 41 of file Seed.h.

◆ NewAtomIdx

unsigned RDKit::FMCS::NewBond::NewAtomIdx {0}

Definition at line 39 of file Seed.h.

◆ SourceAtomIdx

unsigned RDKit::FMCS::NewBond::SourceAtomIdx {0}

Definition at line 36 of file Seed.h.

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