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

#include <Seed.h>

Public Member Functions

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

Public Attributes

unsigned int BondIdx {0}
 
unsigned int NewAtomIdx {0}
 
unsigned int EndAtomIdx {0}
 
const AtomNewAtom {nullptr}
 

Detailed Description

Definition at line 34 of file Seed.h.

Constructor & Destructor Documentation

◆ NewBond() [1/2]

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

Definition at line 48 of file Seed.h.

◆ NewBond() [2/2]

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

Definition at line 52 of file Seed.h.

Member Data Documentation

◆ BondIdx

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

Definition at line 37 of file Seed.h.

◆ EndAtomIdx

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

Definition at line 43 of file Seed.h.

◆ NewAtom

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

Definition at line 46 of file Seed.h.

◆ NewAtomIdx

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

Definition at line 40 of file Seed.h.


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