RDKit
Open-source cheminformatics and machine learning.
Loading...
Searching...
No Matches
RDKit::Dict Class Reference

The Dict class can be used to store objects of arbitrary type keyed by strings. More...

#include <Dict.h>

Classes

struct  Pair

Public Types

typedef std::vector< PairDataType
using const_iterator = DataType::const_iterator

Public Member Functions

 Dict ()
 Dict (const Dict &other)
 Dict (Dict &&other) noexcept=default
 ~Dict ()
void update (const Dict &other, bool preserveExisting=false)
Dictoperator= (const Dict &other)
Dictoperator= (Dict &&other) noexcept
std::size_t size () const
 Returns the number of entries in the dictionary.
bool empty () const
 Returns whether the dictionary is empty.
const_iterator begin () const
const_iterator end () const
void insert (Pair &&pair)
 Appends a populated Pair to the dictionary.
void extend (std::vector< Pair > &&pairs)
 Bulk-appends a vector of Pairs, moving them into the dictionary.
const RDValuegetRDValue (const std::string_view what) const
 Returns a const reference to the RDValue for a key. Throws KeyErrorException if the key is not found.
bool hasVal (const std::string_view what) const
 Returns whether or not the dictionary contains a particular key.
STR_VECT keys () const
 Returns the set of keys in the dictionary.
template<typename T>
void getVal (const std::string_view what, T &res) const
 Gets the value associated with a particular key.
template<typename T>
getVal (const std::string_view what) const
 This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
void getVal (const std::string_view what, std::string &res) const
 This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<typename T>
bool getValIfPresent (const std::string_view what, T &res) const
 Potentially gets the value associated with a particular key returns true on success/false on failure.
bool getValIfPresent (const std::string_view what, std::string &res) const
 This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<typename T>
void setVal (const std::string_view what, T &val)
 Sets the value associated with a key.
template<typename T>
void setPODVal (const std::string_view what, T val)
void setVal (const std::string_view what, bool val)
void setVal (const std::string_view what, double val)
void setVal (const std::string_view what, float val)
void setVal (const std::string_view what, int val)
void setVal (const std::string_view what, unsigned int val)
void setVal (const std::string_view what, const char *val)
 This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
void clearVal (const std::string_view what)
 Clears the value associated with a particular key, removing the key from the dictionary.
void reset ()
 Clears all keys (and values) from the dictionary.

Detailed Description

The Dict class can be used to store objects of arbitrary type keyed by strings.

The actual storage is done using RDValue objects.

Definition at line 36 of file Dict.h.

Member Typedef Documentation

◆ const_iterator

using RDKit::Dict::const_iterator = DataType::const_iterator

Definition at line 144 of file Dict.h.

◆ DataType

typedef std::vector<Pair> RDKit::Dict::DataType

Definition at line 52 of file Dict.h.

Constructor & Destructor Documentation

◆ Dict() [1/3]

RDKit::Dict::Dict ( )
inline

Definition at line 54 of file Dict.h.

Referenced by Dict(), Dict(), operator=(), operator=(), and update().

◆ Dict() [2/3]

RDKit::Dict::Dict ( const Dict & other)
inline

Definition at line 56 of file Dict.h.

References Dict().

◆ Dict() [3/3]

RDKit::Dict::Dict ( Dict && other)
defaultnoexcept

References Dict().

◆ ~Dict()

RDKit::Dict::~Dict ( )
inline

Definition at line 70 of file Dict.h.

References reset().

Member Function Documentation

◆ begin()

const_iterator RDKit::Dict::begin ( ) const
inline

Definition at line 145 of file Dict.h.

◆ clearVal()

void RDKit::Dict::clearVal ( const std::string_view what)
inline

Clears the value associated with a particular key, removing the key from the dictionary.

Parameters
whatthe key to clear

Definition at line 377 of file Dict.h.

References RDKit::RDValue::cleanup_rdvalue().

◆ empty()

bool RDKit::Dict::empty ( ) const
inline

Returns whether the dictionary is empty.

Definition at line 142 of file Dict.h.

◆ end()

const_iterator RDKit::Dict::end ( ) const
inline

Definition at line 146 of file Dict.h.

◆ extend()

void RDKit::Dict::extend ( std::vector< Pair > && pairs)
inline

Bulk-appends a vector of Pairs, moving them into the dictionary.

Definition at line 155 of file Dict.h.

◆ getRDValue()

const RDValue & RDKit::Dict::getRDValue ( const std::string_view what) const
inline

Returns a const reference to the RDValue for a key. Throws KeyErrorException if the key is not found.

Definition at line 165 of file Dict.h.

◆ getVal() [1/3]

template<typename T>
T RDKit::Dict::getVal ( const std::string_view what) const
inline

This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.

Definition at line 221 of file Dict.h.

References RDKit::from_rdvalue().

◆ getVal() [2/3]

void RDKit::Dict::getVal ( const std::string_view what,
std::string & res ) const
inline

This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.

Definition at line 231 of file Dict.h.

References RDKit::rdvalue_tostring().

◆ getVal() [3/3]

template<typename T>
void RDKit::Dict::getVal ( const std::string_view what,
T & res ) const
inline

Gets the value associated with a particular key.

Parameters
whatthe key to lookup
resa reference used to return the result

Notes:

  • If res is a std::string, every effort will be made to convert the specified element to a string using the boost::lexical_cast machinery.
  • If the dictionary does not contain the key what, a KeyErrorException will be thrown.

Definition at line 215 of file Dict.h.

References getVal().

Referenced by RDKit::Dict::getVal< std::string >(), and getVal().

◆ getValIfPresent() [1/2]

bool RDKit::Dict::getValIfPresent ( const std::string_view what,
std::string & res ) const
inline

This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.

Definition at line 267 of file Dict.h.

References RDKit::rdvalue_tostring().

◆ getValIfPresent() [2/2]

template<typename T>
bool RDKit::Dict::getValIfPresent ( const std::string_view what,
T & res ) const
inline

Potentially gets the value associated with a particular key returns true on success/false on failure.

Parameters
whatthe key to lookup
resa reference used to return the result

Notes:

  • If res is a std::string, every effort will be made to convert the specified element to a string using the boost::lexical_cast machinery.
  • If the dictionary does not contain the key what, a KeyErrorException will be thrown.

Definition at line 256 of file Dict.h.

References RDKit::from_rdvalue().

◆ hasVal()

bool RDKit::Dict::hasVal ( const std::string_view what) const
inline

Returns whether or not the dictionary contains a particular key.

Definition at line 178 of file Dict.h.

◆ insert()

void RDKit::Dict::insert ( Pair && pair)
inline

Appends a populated Pair to the dictionary.

Definition at line 149 of file Dict.h.

◆ keys()

STR_VECT RDKit::Dict::keys ( ) const
inline

Returns the set of keys in the dictionary.

Returns
a STR_VECT

Definition at line 192 of file Dict.h.

◆ operator=() [1/2]

Dict & RDKit::Dict::operator= ( const Dict & other)
inline

Definition at line 102 of file Dict.h.

References RDKit::copy_rdvalue(), Dict(), and reset().

◆ operator=() [2/2]

Dict & RDKit::Dict::operator= ( Dict && other)
inlinenoexcept

Definition at line 124 of file Dict.h.

References Dict(), and reset().

◆ reset()

void RDKit::Dict::reset ( )
inline

Clears all keys (and values) from the dictionary.

Definition at line 392 of file Dict.h.

References RDKit::RDValue::cleanup_rdvalue().

Referenced by operator=(), operator=(), and ~Dict().

◆ setPODVal()

template<typename T>
void RDKit::Dict::setPODVal ( const std::string_view what,
T val )
inline

Definition at line 309 of file Dict.h.

References RDKit::RDValue::cleanup_rdvalue().

Referenced by setVal(), setVal(), setVal(), setVal(), and setVal().

◆ setVal() [1/7]

void RDKit::Dict::setVal ( const std::string_view what,
bool val )
inline

Definition at line 326 of file Dict.h.

References setPODVal().

◆ setVal() [2/7]

void RDKit::Dict::setVal ( const std::string_view what,
const char * val )
inline

This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.

Definition at line 361 of file Dict.h.

References setVal().

◆ setVal() [3/7]

void RDKit::Dict::setVal ( const std::string_view what,
double val )
inline

Definition at line 333 of file Dict.h.

References setPODVal().

◆ setVal() [4/7]

void RDKit::Dict::setVal ( const std::string_view what,
float val )
inline

Definition at line 340 of file Dict.h.

References setPODVal().

◆ setVal() [5/7]

void RDKit::Dict::setVal ( const std::string_view what,
int val )
inline

Definition at line 346 of file Dict.h.

References setPODVal().

◆ setVal() [6/7]

template<typename T>
void RDKit::Dict::setVal ( const std::string_view what,
T & val )
inline

Sets the value associated with a key.

Parameters
whatthe key to set
valthe value to store

Notes:

  • If val is a const char *, it will be converted to a std::string for storage.
  • If the dictionary already contains the key what, the value will be replaced.

Definition at line 291 of file Dict.h.

References RDKit::RDValue::cleanup_rdvalue().

Referenced by setVal().

◆ setVal() [7/7]

void RDKit::Dict::setVal ( const std::string_view what,
unsigned int val )
inline

Definition at line 353 of file Dict.h.

References setPODVal().

◆ size()

std::size_t RDKit::Dict::size ( ) const
inline

Returns the number of entries in the dictionary.

Definition at line 139 of file Dict.h.

◆ update()

void RDKit::Dict::update ( const Dict & other,
bool preserveExisting = false )
inline

Definition at line 74 of file Dict.h.

References RDKit::copy_rdvalue(), Dict(), and RDKit::Dict::Pair::val.


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