RDKit::v2::FileParsers::PDBMolSupplier Class Reference

Deprecated, will be removed in 2024.09 release. More...

#include <MolSupplier.h>

Inheritance diagram for RDKit::v2::FileParsers::PDBMolSupplier:

Public Member Functions
	PDBMolSupplier (std::istream *inStream, bool takeOwnership=true, const PDBParserParams &params=PDBParserParams())
	PDBMolSupplier (const std::string &fname, const PDBParserParams &params=PDBParserParams())
	~PDBMolSupplier () override
void	init () override
void	reset () override
std::unique_ptr< RWMol >	next () override
bool	atEnd () override
Public Member Functions inherited from RDKit::v2::FileParsers::MolSupplier
	MolSupplier ()
virtual	~MolSupplier ()
virtual void	close ()

Protected Attributes
PDBParserParams	d_params
Protected Attributes inherited from RDKit::v2::FileParsers::MolSupplier
std::istream *	dp_inStream = nullptr
bool	df_owner = false

Additional Inherited Members
Protected Member Functions inherited from RDKit::v2::FileParsers::MolSupplier
std::istream *	openAndCheckStream (const std::string &filename)

Detailed Description

Deprecated, will be removed in 2024.09 release.

Definition at line 403 of file MolSupplier.h.

Constructor & Destructor Documentation

PDBMolSupplier() [1/2]

RDKit::v2::FileParsers::PDBMolSupplier::PDBMolSupplier ( std::istream * inStream, bool takeOwnership = true, const PDBParserParams & params = PDBParserParams() )

explicit

PDBMolSupplier() [2/2]

RDKit::v2::FileParsers::PDBMolSupplier::PDBMolSupplier ( const std::string & fname, const PDBParserParams & params = PDBParserParams() )

explicit

~PDBMolSupplier()

RDKit::v2::FileParsers::PDBMolSupplier::~PDBMolSupplier ( )

inlineoverride

Definition at line 410 of file MolSupplier.h.

Member Function Documentation

atEnd()

bool RDKit::v2::FileParsers::PDBMolSupplier::atEnd ( )

overridevirtual

Implements RDKit::v2::FileParsers::MolSupplier.

init()

void RDKit::v2::FileParsers::PDBMolSupplier::init ( )

overridevirtual

Implements RDKit::v2::FileParsers::MolSupplier.

next()

std::unique_ptr< RWMol > RDKit::v2::FileParsers::PDBMolSupplier::next ( )

overridevirtual

Implements RDKit::v2::FileParsers::MolSupplier.

reset()

void RDKit::v2::FileParsers::PDBMolSupplier::reset ( )

overridevirtual

Implements RDKit::v2::FileParsers::MolSupplier.

Member Data Documentation

d_params

PDBParserParams RDKit::v2::FileParsers::PDBMolSupplier::d_params

protected

Definition at line 418 of file MolSupplier.h.

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

• MolSupplier.h