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RDKit::FilterCatalogEntry Class Reference

`#include <FilterCatalogEntry.h>`

Inheritance diagram for RDKit::FilterCatalogEntry:

## Public Member Functions

| FilterCatalogEntry ()
| FilterCatalogEntry (const std::string &name, const FilterMatcherBase &matcher)
| FilterCatalogEntry (const std::string &name, boost::shared_ptr< FilterMatcherBase > matcher)
| FilterCatalogEntry (const FilterCatalogEntry &rhs)
| ~FilterCatalogEntry () override
bool | isValid () const
| Returns true if the Filters stored in this catalog entry are valid.
std::string | getDescription () const override
| Returns the description of the catalog entry.
void | setDescription (const std::string &description)
| Sets the description of the catalog entry.
Properties
STR_VECT | getPropList () const
| returns a list with the names of our `properties`
template<typename T >
void | setProp (const char *key, T val)
| sets a `property` value
template<typename T >
void | setProp (const std::string &key, T val)
| 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 | getProp (const char *key, T &res) const
| allows retrieval of a particular property value
template<typename T >
void | getProp (const std::string &key, T &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 >
T | getProp (const char *key) 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 >
T | getProp (const std::string &key) 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 | getPropIfPresent (const char *key, T &res) const
template<typename T >
bool | getPropIfPresent (const std::string &key, T &res) const
| This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
bool | hasProp (const char *key) const
| returns whether or not we have a `property` with name `key`
bool | hasProp (const std::string &key) const
| This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
void | clearProp (const char *key)
| clears the value of a `property`
void | clearProp (const std::string &key)
| This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
Dict & | getProps ()
const Dict & | getProps () const
void | setProps (const Dict &props)
bool | getFilterMatches (const ROMol &mol, std::vector< FilterMatch > &matchVect) const
| Returns the matching filters for this catalog entry.
bool | hasFilterMatch (const ROMol &mol) const
| Returns true if the filters in this catalog entry match the molecule.
void | toStream (std::ostream &ss) const override
| serializes (pickles) to a stream
std::string | Serialize () const override
| returns a string with a serialized (pickled) representation
void | initFromStream (std::istream &ss) override
| initializes from a stream pickle
void | initFromString (const std::string &text) override
| initializes from a string pickle
Public Member Functions inherited from RDCatalog::CatalogEntry
virtual | ~CatalogEntry ()=0
void | setBitId (int bid)
| sets our bit Id
int | getBitId () const
| returns our bit Id

## Detailed Description

Definition at line 56 of file FilterCatalogEntry.h.

## Constructor & Destructor Documentation

## FilterCatalogEntry() [1/4]

RDKit::FilterCatalogEntry::FilterCatalogEntry | ( |  | ) |

inline

Definition at line 63 of file FilterCatalogEntry.h.

## FilterCatalogEntry() [2/4]

RDKit::FilterCatalogEntry::FilterCatalogEntry | ( | const std::string & | name,
|  | const FilterMatcherBase & | matcher
| ) |  |

inline

Definition at line 65 of file FilterCatalogEntry.h.

## FilterCatalogEntry() [3/4]

RDKit::FilterCatalogEntry::FilterCatalogEntry | ( | const std::string & | name,
|  | boost::shared_ptr< FilterMatcherBase > | matcher
| ) |  |

inline

Definition at line 70 of file FilterCatalogEntry.h.

## FilterCatalogEntry() [4/4]

RDKit::FilterCatalogEntry::FilterCatalogEntry | ( | const FilterCatalogEntry & | rhs | ) |

inline

Definition at line 76 of file FilterCatalogEntry.h.

## ~FilterCatalogEntry()

RDKit::FilterCatalogEntry::~FilterCatalogEntry | ( |  | ) |

inline override

Definition at line 81 of file FilterCatalogEntry.h.

## Member Function Documentation

## clearProp() [1/2]

void RDKit::FilterCatalogEntry::clearProp | ( | const char * | key | ) |

inline

clears the value of a `property`

Definition at line 180 of file FilterCatalogEntry.h.

## clearProp() [2/2]

void RDKit::FilterCatalogEntry::clearProp | ( | const std::string & | key | ) |

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 185 of file FilterCatalogEntry.h.

References RDKit::Dict::clearVal().

## getDescription()

std::string RDKit::FilterCatalogEntry::getDescription | ( |  | ) | const

override virtual

Returns the description of the catalog entry.

Implements RDCatalog::CatalogEntry.

## getFilterMatches()

bool RDKit::FilterCatalogEntry::getFilterMatches | ( | const ROMol & | mol,
|  | std::vector< FilterMatch > & | matchVect
| ) |  | const

inline

Returns the matching filters for this catalog entry.

Definition at line 201 of file FilterCatalogEntry.h.

## getProp() [1/4]

template<typename T >

T RDKit::FilterCatalogEntry::getProp | ( | const char * | key | ) | 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 150 of file FilterCatalogEntry.h.

References RDKit::Dict::getVal().

## getProp() [2/4]

template<typename T >

void RDKit::FilterCatalogEntry::getProp | ( | const char * | key,
|  | T & | res
| ) |  | const

inline

allows retrieval of a particular property value

Parameters

  key | the name under which the `property` should be stored. If a `property` is already stored under this name, it will be replaced.
  res | a reference to the storage location for the value.

Notes:

- if no `property` with name `key` exists, a KeyErrorException will be thrown.
- the `boost::lexical_cast` machinery is used to attempt type conversions. If this fails, a `boost::bad_lexical_cast` exception will be thrown.

Definition at line 140 of file FilterCatalogEntry.h.

References RDKit::Dict::getVal().

## getProp() [3/4]

template<typename T >

T RDKit::FilterCatalogEntry::getProp | ( | const std::string & | key | ) | 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 155 of file FilterCatalogEntry.h.

References RDKit::Dict::getVal().

## getProp() [4/4]

template<typename T >

void RDKit::FilterCatalogEntry::getProp | ( | const std::string & | key,
|  | T & | 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 145 of file FilterCatalogEntry.h.

References RDKit::Dict::getVal().

## getPropIfPresent() [1/2]

template<typename T >

bool RDKit::FilterCatalogEntry::getPropIfPresent | ( | const char * | key,
|  | T & | res
| ) |  | const

inline

returns whether or not we have a `property` with name `key` and assigns the value if we do

Definition at line 162 of file FilterCatalogEntry.h.

References RDKit::Dict::getValIfPresent().

## getPropIfPresent() [2/2]

template<typename T >

bool RDKit::FilterCatalogEntry::getPropIfPresent | ( | const std::string & | key,
|  | T & | 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 167 of file FilterCatalogEntry.h.

References RDKit::Dict::getValIfPresent().

## getPropList()

STR_VECT RDKit::FilterCatalogEntry::getPropList | ( |  | ) | const

inline

returns a list with the names of our `properties`

Definition at line 103 of file FilterCatalogEntry.h.

References RDKit::Dict::keys().

## getProps() [1/2]

Dict & RDKit::FilterCatalogEntry::getProps | ( |  | ) |

inline

Properties usually contain the reference and source for the catalog entry.

Definition at line 191 of file FilterCatalogEntry.h.

## getProps() [2/2]

const Dict & RDKit::FilterCatalogEntry::getProps | ( |  | ) | const

inline

Definition at line 192 of file FilterCatalogEntry.h.

## hasFilterMatch()

bool RDKit::FilterCatalogEntry::hasFilterMatch | ( | const ROMol & | mol | ) | const

inline

Returns true if the filters in this catalog entry match the molecule.

Definition at line 212 of file FilterCatalogEntry.h.

## hasProp() [1/2]

bool RDKit::FilterCatalogEntry::hasProp | ( | const char * | key | ) | const

inline

returns whether or not we have a `property` with name `key`

Definition at line 172 of file FilterCatalogEntry.h.

References RDKit::Dict::hasVal().

## hasProp() [2/2]

bool RDKit::FilterCatalogEntry::hasProp | ( | const std::string & | key | ) | 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 174 of file FilterCatalogEntry.h.

References RDKit::Dict::hasVal().

## initFromStream()

void RDKit::FilterCatalogEntry::initFromStream | ( | std::istream & | ss | ) |

override virtual

initializes from a stream pickle

Implements RDCatalog::CatalogEntry.

## initFromString()

void RDKit::FilterCatalogEntry::initFromString | ( | const std::string & | text | ) |

override virtual

initializes from a string pickle

Implements RDCatalog::CatalogEntry.

## isValid()

bool RDKit::FilterCatalogEntry::isValid | ( |  | ) | const

inline

Returns true if the Filters stored in this catalog entry are valid.

Definition at line 86 of file FilterCatalogEntry.h.

## Serialize()

std::string RDKit::FilterCatalogEntry::Serialize | ( |  | ) | const

override virtual

returns a string with a serialized (pickled) representation

Implements RDCatalog::CatalogEntry.

## setDescription()

void RDKit::FilterCatalogEntry::setDescription | ( | const std::string & | description | ) |

Sets the description of the catalog entry.

## setProp() [1/2]

template<typename T >

void RDKit::FilterCatalogEntry::setProp | ( | const char * | key,
|  | T | val
| ) |  |

inline

sets a `property` value

Parameters

  key | the name under which the `property` should be stored. If a `property` is already stored under this name, it will be replaced.
  val | the value to be stored

Definition at line 113 of file FilterCatalogEntry.h.

## setProp() [2/2]

template<typename T >

void RDKit::FilterCatalogEntry::setProp | ( | const std::string & | key,
|  | T | 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 119 of file FilterCatalogEntry.h.

References RDKit::Dict::setVal().

## setProps()

void RDKit::FilterCatalogEntry::setProps | ( | const Dict & | props | ) |

inline

Definition at line 193 of file FilterCatalogEntry.h.

## toStream()

void RDKit::FilterCatalogEntry::toStream | ( | std::ostream & | ss | ) | const

override virtual

serializes (pickles) to a stream

Implements RDCatalog::CatalogEntry.

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

- FilterCatalogEntry.h