RDKit: RDCatalog::Catalog< entryType, paramType > Class Template Reference

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RDCatalog::Catalog< entryType, paramType > Class Template Referenceabstract

abstract base class for a catalog object More...

`#include <Catalog.h>`

Inheritance diagram for RDCatalog::Catalog< entryType, paramType >:

## Public Types
typedef entryType | entryType_t
typedef paramType | paramType_t

## Public Member Functions
| Catalog ()
virtual | ~Catalog ()
virtual std::string | Serialize () const =0
| return a serialized form of the Catalog as an std::string More...
virtual unsigned int | addEntry (entryType *entry, bool updateFPLength=true)=0
| adds an entry to the catalog More...
virtual const entryType * | getEntryWithIdx (unsigned int idx) const =0
| returns a particular entry in the Catalog More...
virtual unsigned int | getNumEntries () const =0
| returns the number of entries More...
unsigned int | getFPLength () const
| returns the length of our fingerprint More...
void | setFPLength (unsigned int val)
| sets our fingerprint length More...
virtual void | setCatalogParams (paramType *params)
| sets our parameters by copying the `params` argument More...
const paramType * | getCatalogParams () const
| returns a pointer to our parameters More...

## Protected Attributes
unsigned int | d_fpLength
| the length of our fingerprint More...
paramType * | dp_cParams
| our params object More...

## Detailed Description

### template<class entryType, class paramType>
class RDCatalog::Catalog< entryType, paramType >

abstract base class for a catalog object

Definition at line 39 of file Catalog.h.

## Member Typedef Documentation

template<class entryType, class paramType>

typedef entryType RDCatalog::Catalog< entryType, paramType >::entryType_t

Definition at line 41 of file Catalog.h.

template<class entryType, class paramType>

typedef paramType RDCatalog::Catalog< entryType, paramType >::paramType_t

Definition at line 42 of file Catalog.h.

## Constructor & Destructor Documentation

template<class entryType, class paramType>

RDCatalog::Catalog< entryType, paramType >::Catalog | ( |  | ) |
| inline

Definition at line 45 of file Catalog.h.

template<class entryType, class paramType>

virtual RDCatalog::Catalog< entryType, paramType >::~Catalog | ( |  | ) |
| inlinevirtual

Definition at line 48 of file Catalog.h.

## Member Function Documentation

template<class entryType, class paramType>

virtual unsigned int RDCatalog::Catalog< entryType, paramType >::addEntry | ( | entryType * | entry,
|  | bool | updateFPLength = `true`
| ) |  |
| pure virtual

adds an entry to the catalog

Parameters

  entry | the entry to be added
  updateFPLength | (optional) if this is true, our internal fingerprint length will also be updated.

Implemented in RDCatalog::LinearCatalog< entryType, orderType >, and RDCatalog::HierarchCatalog< entryType, paramType, orderType >.

Referenced by RDCatalog::HierarchCatalog< entryType, paramType, orderType >::initFromStream(), and RDCatalog::Catalog< entryType, orderType >::~Catalog().

template<class entryType, class paramType>

const paramType* RDCatalog::Catalog< entryType, paramType >::getCatalogParams | ( |  | ) | const
| inline

returns a pointer to our parameters

Definition at line 100 of file Catalog.h.

Referenced by RDCatalog::HierarchCatalog< entryType, paramType, orderType >::toStream().

template<class entryType, class paramType>

virtual const entryType* RDCatalog::Catalog< entryType, paramType >::getEntryWithIdx | ( | unsigned int | idx | ) | const
| pure virtual

returns a particular entry in the Catalog

Implemented in RDCatalog::LinearCatalog< entryType, orderType >, RDCatalog::HierarchCatalog< entryType, paramType, orderType >, and RDKit::FilterCatalog.

Referenced by RDCatalog::HierarchCatalog< entryType, paramType, orderType >::toStream(), and RDCatalog::Catalog< entryType, orderType >::~Catalog().

template<class entryType, class paramType>

unsigned int RDCatalog::Catalog< entryType, paramType >::getFPLength | ( |  | ) | const
| inline

returns the length of our fingerprint

Definition at line 76 of file Catalog.h.

Referenced by RDCatalog::HierarchCatalog< entryType, paramType, orderType >::addEntry(), RDCatalog::HierarchCatalog< entryType, paramType, orderType >::getEntryWithBitId(), RDCatalog::HierarchCatalog< entryType, paramType, orderType >::getIdOfEntryWithBitId(), and RDCatalog::HierarchCatalog< entryType, paramType, orderType >::toStream().

template<class entryType, class paramType>

virtual unsigned int RDCatalog::Catalog< entryType, paramType >::getNumEntries | ( |  | ) | const
| pure virtual

returns the number of entries

Implemented in RDCatalog::HierarchCatalog< entryType, paramType, orderType >, and RDKit::FilterCatalog.

Referenced by RDCatalog::HierarchCatalog< entryType, paramType, orderType >::addEdge(), RDCatalog::HierarchCatalog< entryType, paramType, orderType >::getEntryWithBitId(), RDCatalog::HierarchCatalog< entryType, paramType, orderType >::getEntryWithIdx(), RDCatalog::HierarchCatalog< entryType, paramType, orderType >::getIdOfEntryWithBitId(), RDCatalog::HierarchCatalog< entryType, paramType, orderType >::toStream(), and RDCatalog::Catalog< entryType, orderType >::~Catalog().

template<class entryType, class paramType>

virtual std::string RDCatalog::Catalog< entryType, paramType >::Serialize | ( |  | ) | const
| pure virtual

return a serialized form of the Catalog as an std::string

Implemented in RDCatalog::HierarchCatalog< entryType, paramType, orderType >, and RDKit::FilterCatalog.

Referenced by RDCatalog::Catalog< entryType, orderType >::~Catalog().

template<class entryType, class paramType>

virtual void RDCatalog::Catalog< entryType, paramType >::setCatalogParams | ( | paramType * | params | ) |
| inlinevirtual

sets our parameters by copying the `params` argument

Definition at line 84 of file Catalog.h.

Referenced by RDCatalog::HierarchCatalog< entryType, paramType, orderType >::HierarchCatalog(), and RDCatalog::HierarchCatalog< entryType, paramType, orderType >::initFromStream().

template<class entryType, class paramType>

void RDCatalog::Catalog< entryType, paramType >::setFPLength | ( | unsigned int | val | ) |
| inline

sets our fingerprint length

Definition at line 80 of file Catalog.h.

Referenced by RDCatalog::HierarchCatalog< entryType, paramType, orderType >::addEntry(), and RDCatalog::HierarchCatalog< entryType, paramType, orderType >::initFromStream().

## Member Data Documentation

template<class entryType, class paramType>

unsigned int RDCatalog::Catalog< entryType, paramType >::d_fpLength
| protected

the length of our fingerprint

Definition at line 108 of file Catalog.h.

Referenced by RDCatalog::Catalog< entryType, orderType >::getFPLength(), and RDCatalog::Catalog< entryType, orderType >::setFPLength().

template<class entryType, class paramType>

paramType* RDCatalog::Catalog< entryType, paramType >::dp_cParams
| protected

our params object

Definition at line 109 of file Catalog.h.

Referenced by RDCatalog::Catalog< entryType, orderType >::getCatalogParams(), RDCatalog::Catalog< entryType, orderType >::setCatalogParams(), and RDCatalog::Catalog< entryType, orderType >::~Catalog().

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

- Catalog.h