RDKit::CIPLabeler::PairList Class Reference

#include <Pairlist.h>

Public Member Functions
	PairList ()=default
	PairList (Descriptor ref)
	PairList (const PairList &head, const PairList &tail)
Descriptor	getRefDescriptor () const
bool	add (Descriptor descriptor)
template<typename T>
void	addAll (const T &descriptors)
int	compareTo (const PairList &that) const
bool	operator< (const PairList &that) const
std::string	toString () const

Static Public Member Functions
static Descriptor	ref (Descriptor descriptor)

Detailed Description

Implementation of a descriptor list that allows descriptors to be added and ignored.

See also

Descriptor

Definition at line 29 of file Pairlist.h.

Constructor & Destructor Documentation

PairList() [1/3]

RDKit::CIPLabeler::PairList::PairList ( )

default

Referenced by compareTo(), operator<(), and PairList().

PairList() [2/3]

RDKit::CIPLabeler::PairList::PairList ( Descriptor ref )

inline

Definition at line 48 of file Pairlist.h.

References add(), and ref().

PairList() [3/3]

RDKit::CIPLabeler::PairList::PairList ( const PairList & head, const PairList & tail )

inline

Creates a new list from a provided head and tail. The head and tail ignored descriptors are first transferred and then their descriptors. In either list, descriptors that are ignored by the other will be not be added to the new instance.

Parameters

head	the head of the list (prefix)
tail	the tail of the list (suffix)

Definition at line 59 of file Pairlist.h.

References addAll(), and PairList().

Member Function Documentation

add()

bool RDKit::CIPLabeler::PairList::add ( Descriptor descriptor )

inline

Adds a descriptor to the descriptor list. If the provided descriptor is present in the ignore set the descriptor will not be added.

Parameters

descriptor

the descriptor to add.

Returns

whether the descriptor was added to the list

Definition at line 80 of file Pairlist.h.

References RDKit::CIPLabeler::M, RDKit::CIPLabeler::P, RDKit::CIPLabeler::R, ref(), RDKit::CIPLabeler::S, RDKit::CIPLabeler::seqCis, and RDKit::CIPLabeler::seqTrans.

Referenced by addAll(), and PairList().

addAll()

template<typename T>

void RDKit::CIPLabeler::PairList::addAll ( const T & descriptors )

inline

Adds multiple descriptors to the descriptor list. If the descriptor is present in the ignore set it will not be added to the list.

Parameters

descriptors

a collection of descriptors to be added

Definition at line 102 of file Pairlist.h.

References add().

Referenced by PairList().

compareTo()

int RDKit::CIPLabeler::PairList::compareTo ( const PairList & that ) const

inline

Definition at line 108 of file Pairlist.h.

References PairList().

Referenced by operator<().

getRefDescriptor()

Descriptor RDKit::CIPLabeler::PairList::getRefDescriptor ( ) const

inline

Definition at line 65 of file Pairlist.h.

References ref().

operator<()

bool RDKit::CIPLabeler::PairList::operator< ( const PairList & that ) const

inline

Definition at line 128 of file Pairlist.h.

References compareTo(), and PairList().

ref()

static Descriptor RDKit::CIPLabeler::PairList::ref ( Descriptor descriptor )

inlinestatic

Definition at line 31 of file Pairlist.h.

References RDKit::CIPLabeler::M, RDKit::CIPLabeler::NONE, RDKit::CIPLabeler::P, RDKit::CIPLabeler::R, RDKit::CIPLabeler::S, RDKit::CIPLabeler::seqCis, and RDKit::CIPLabeler::seqTrans.

Referenced by add(), getRefDescriptor(), PairList(), and toString().

toString()

std::string RDKit::CIPLabeler::PairList::toString ( ) const

inline

Definition at line 130 of file Pairlist.h.

References RDKit::CIPLabeler::NONE, ref(), and RDKit::CIPLabeler::to_string().

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

• Pairlist.h