RDKit::FilterCatalogParams Class Reference

#include <FilterCatalog.h>

Inheritance diagram for RDKit::FilterCatalogParams:

Public Types
enum	FilterCatalogs {   PAINS_A = (1u << 1), PAINS_B = (1u << 2), PAINS_C = (1u << 3), PAINS = PAINS_A | PAINS_B | PAINS_C,   BRENK = (1u << 4), NIH = (1u << 5), ZINC = (1u << 6), ALL = PAINS | BRENK | NIH | ZINC }

Public Member Functions
	FilterCatalogParams ()
	FilterCatalogParams (FilterCatalogs catalogs)
	FilterCatalogParams (const FilterCatalogParams &other)
virtual	~FilterCatalogParams ()
virtual bool	addCatalog (FilterCatalogs catalogs)
	Adds an existing FilterCatalog specification to be used in the. More...
const std::vector< FilterCatalogs > &	getCatalogs () const
	Returns the existing list of FilterCatalogs to be used. More...
virtual void	fillCatalog (FilterCatalog &catalog)
	Fill a catalog with the appropriate entries. More...
virtual void	toStream (std::ostream &ss) const
	serializes (pickles) to a stream More...
virtual std::string	Serialize () const
	returns a string with a serialized (pickled) representation More...
virtual void	initFromStream (std::istream &ss)
	initializes from a stream pickle More...
virtual void	initFromString (const std::string &text)
	initializes from a string pickle More...
Public Member Functions inherited from RDCatalog::CatalogParams
virtual	~CatalogParams ()=0
std::string	getTypeStr () const
	returns our type string More...
void	setTypeStr (const std::string &typeStr)
	sets our type string More...

Additional Inherited Members
Protected Attributes inherited from RDCatalog::CatalogParams
std::string	d_typeStr
	our type string More...

Detailed Description

Definition at line 42 of file FilterCatalog.h.

Member Enumeration Documentation

FilterCatalogs

enum RDKit::FilterCatalogParams::FilterCatalogs

Enumerator
PAINS_A
PAINS_B
PAINS_C
PAINS
BRENK
NIH
ZINC
ALL

Definition at line 44 of file FilterCatalog.h.

Constructor & Destructor Documentation

FilterCatalogParams() [1/3]

RDKit::FilterCatalogParams::FilterCatalogParams ( )

inline

Definition at line 57 of file FilterCatalog.h.

FilterCatalogParams() [2/3]

RDKit::FilterCatalogParams::FilterCatalogParams ( FilterCatalogs  catalogs )

inline

Definition at line 61 of file FilterCatalog.h.

FilterCatalogParams() [3/3]

RDKit::FilterCatalogParams::FilterCatalogParams ( const FilterCatalogParams &  other )

inline

Definition at line 66 of file FilterCatalog.h.

~FilterCatalogParams()

virtual RDKit::FilterCatalogParams::~FilterCatalogParams ( )

inlinevirtual

Definition at line 69 of file FilterCatalog.h.

Member Function Documentation

addCatalog()

virtual bool RDKit::FilterCatalogParams::addCatalog ( FilterCatalogs  catalogs )

virtual

Adds an existing FilterCatalog specification to be used in the.

Specifies an existing filter catalog to be used.

Parameters

catalogs

One of the enumerated known FilterCatalogs

fillCatalog()

virtual void RDKit::FilterCatalogParams::fillCatalog ( FilterCatalog &  catalog )

virtual

Fill a catalog with the appropriate entries.

getCatalogs()

const std::vector<FilterCatalogs>& RDKit::FilterCatalogParams::getCatalogs ( ) const

inline

Returns the existing list of FilterCatalogs to be used.

Definition at line 84 of file FilterCatalog.h.

References RDUNUSED_PARAM, and RDLog::toStream().

initFromStream()

virtual void RDKit::FilterCatalogParams::initFromStream ( std::istream &  ss )

virtual

initializes from a stream pickle

Implements RDCatalog::CatalogParams.

initFromString()

virtual void RDKit::FilterCatalogParams::initFromString ( const std::string &  text )

virtual

initializes from a string pickle

Implements RDCatalog::CatalogParams.

Serialize()

virtual std::string RDKit::FilterCatalogParams::Serialize ( ) const

virtual

returns a string with a serialized (pickled) representation

Implements RDCatalog::CatalogParams.

toStream()

virtual void RDKit::FilterCatalogParams::toStream ( std::ostream &  ss ) const

virtual

serializes (pickles) to a stream

Implements RDCatalog::CatalogParams.

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

• FilterCatalog.h