RDKit
Open-source cheminformatics and machine learning.
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RDKit::MarvinBond Class Reference

#include <MarvinDefs.h>

Public Member Functions

 MarvinBond ()
 MarvinBond (const MarvinBond &bondToCopy, std::string newId, std::string atomRef1, std::string atomRef2)
bool isEqual (const MarvinAtom &other) const
bool operator== (const MarvinAtom &rhs) const
const std::string getBondType () const
std::string toString () const
ptree toPtree () const

Public Attributes

std::string id
std::string atomRefs2 [2]
std::string order
MarvinBondStereo bondStereo
std::string queryType
std::string convention

Detailed Description

Definition at line 159 of file MarvinDefs.h.

Constructor & Destructor Documentation

◆ MarvinBond() [1/2]

RDKit::MarvinBond::MarvinBond ( )
inline

Definition at line 168 of file MarvinDefs.h.

Referenced by MarvinBond().

◆ MarvinBond() [2/2]

RDKit::MarvinBond::MarvinBond ( const MarvinBond & bondToCopy,
std::string newId,
std::string atomRef1,
std::string atomRef2 )

References MarvinBond().

Member Function Documentation

◆ getBondType()

const std::string RDKit::MarvinBond::getBondType ( ) const

◆ isEqual()

bool RDKit::MarvinBond::isEqual ( const MarvinAtom & other) const

◆ operator==()

bool RDKit::MarvinBond::operator== ( const MarvinAtom & rhs) const

◆ toPtree()

ptree RDKit::MarvinBond::toPtree ( ) const

◆ toString()

std::string RDKit::MarvinBond::toString ( ) const

Member Data Documentation

◆ atomRefs2

std::string RDKit::MarvinBond::atomRefs2[2]

Definition at line 162 of file MarvinDefs.h.

◆ bondStereo

MarvinBondStereo RDKit::MarvinBond::bondStereo

Definition at line 164 of file MarvinDefs.h.

◆ convention

std::string RDKit::MarvinBond::convention

Definition at line 166 of file MarvinDefs.h.

◆ id

std::string RDKit::MarvinBond::id

Definition at line 161 of file MarvinDefs.h.

◆ order

std::string RDKit::MarvinBond::order

Definition at line 163 of file MarvinDefs.h.

◆ queryType

std::string RDKit::MarvinBond::queryType

Definition at line 165 of file MarvinDefs.h.

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