RDKit
Open-source cheminformatics and machine learning.
RDKit::Canon::bondholder Struct Reference

#include <new_canon.h>

Public Member Functions

 bondholder ()
 
 bondholder (Bond::BondType bt, Bond::BondStereo bs, unsigned int ni, unsigned int nsc)
 
 bondholder (Bond::BondType bt, unsigned int bs, unsigned int ni, unsigned int nsc)
 
bool operator< (const bondholder &o) const
 

Static Public Member Functions

static bool greater (const bondholder &lhs, const bondholder &rhs)
 
static int compare (const bondholder &x, const bondholder &y, unsigned int div=1)
 

Public Attributes

Bond::BondType bondType
 
unsigned int bondStereo
 
unsigned int nbrSymClass
 
unsigned int nbrIdx
 

Detailed Description

Definition at line 31 of file new_canon.h.

Constructor & Destructor Documentation

RDKit::Canon::bondholder::bondholder ( )
inline

Definition at line 36 of file new_canon.h.

RDKit::Canon::bondholder::bondholder ( Bond::BondType  bt,
Bond::BondStereo  bs,
unsigned int  ni,
unsigned int  nsc 
)
inline

Definition at line 41 of file new_canon.h.

RDKit::Canon::bondholder::bondholder ( Bond::BondType  bt,
unsigned int  bs,
unsigned int  ni,
unsigned int  nsc 
)
inline

Definition at line 47 of file new_canon.h.

Member Function Documentation

static int RDKit::Canon::bondholder::compare ( const bondholder x,
const bondholder y,
unsigned int  div = 1 
)
inlinestatic
static bool RDKit::Canon::bondholder::greater ( const bondholder lhs,
const bondholder rhs 
)
inlinestatic

Definition at line 55 of file new_canon.h.

References bondStereo, bondType, and nbrSymClass.

bool RDKit::Canon::bondholder::operator< ( const bondholder o) const
inline

Definition at line 50 of file new_canon.h.

References bondStereo, bondType, and nbrSymClass.

Member Data Documentation

unsigned int RDKit::Canon::bondholder::bondStereo

Definition at line 33 of file new_canon.h.

Referenced by compare(), greater(), and operator<().

Bond::BondType RDKit::Canon::bondholder::bondType

Definition at line 32 of file new_canon.h.

Referenced by compare(), greater(), and operator<().

unsigned int RDKit::Canon::bondholder::nbrIdx

Definition at line 35 of file new_canon.h.

unsigned int RDKit::Canon::bondholder::nbrSymClass

Definition at line 34 of file new_canon.h.

Referenced by compare(), greater(), and operator<().


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