RDKit::v1::PDBMolSupplier Class Reference

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

#include <MolSupplier.v1API.h>

Inheritance diagram for RDKit::v1::PDBMolSupplier:

Public Member Functions
	PDBMolSupplier (std::istream *inStream, bool takeOwnership=true, bool sanitize=true, bool removeHs=true, unsigned int flavor=0, bool proximityBonding=true)
	PDBMolSupplier (const std::string &fname, bool sanitize=true, bool removeHs=true, unsigned int flavor=0, bool proximityBonding=true)
Public Member Functions inherited from RDKit::v1::MolSupplier
	MolSupplier ()
virtual	~MolSupplier ()
void	init ()
void	reset ()
bool	atEnd ()
ROMol *	next ()
virtual void	close ()

Additional Inherited Members
Protected Attributes inherited from RDKit::v1::MolSupplier
std::unique_ptr< v2::FileParsers::MolSupplier >	dp_supplier

Detailed Description

Deprecated, will be removed in 2024.09 release.

Definition at line 415 of file MolSupplier.v1API.h.

Constructor & Destructor Documentation

PDBMolSupplier() [1/2]

RDKit::v1::PDBMolSupplier::PDBMolSupplier ( std::istream * inStream, bool takeOwnership = true, bool sanitize = true, bool removeHs = true, unsigned int flavor = 0, bool proximityBonding = true )

inlineexplicit

Definition at line 417 of file MolSupplier.v1API.h.

References RDKit::v2::FileParsers::PDBParserParams::flavor, RDKit::v2::FileParsers::PDBParserParams::proximityBonding, RDKit::v2::FileParsers::PDBParserParams::removeHs, and RDKit::v2::FileParsers::PDBParserParams::sanitize.

PDBMolSupplier() [2/2]

RDKit::v1::PDBMolSupplier::PDBMolSupplier ( const std::string & fname, bool sanitize = true, bool removeHs = true, unsigned int flavor = 0, bool proximityBonding = true )

inlineexplicit

Definition at line 429 of file MolSupplier.v1API.h.

References RDKit::v2::FileParsers::PDBParserParams::flavor, RDKit::v2::FileParsers::PDBParserParams::proximityBonding, RDKit::v2::FileParsers::PDBParserParams::removeHs, and RDKit::v2::FileParsers::PDBParserParams::sanitize.

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

• MolSupplier.v1API.h