RDKit::v2::FileParsers::MolSupplier Class Reference

#include <MolSupplier.h>

Inheritance diagram for RDKit::v2::FileParsers::MolSupplier:

Public Member Functions
	MolSupplier ()
virtual	~MolSupplier ()
virtual void	init ()=0
virtual void	reset ()=0
virtual bool	atEnd ()=0
virtual std::unique_ptr< RWMol >	next ()=0
virtual void	close ()

Protected Member Functions
std::istream *	openAndCheckStream (const std::string &filename)

Protected Attributes
std::istream *	dp_inStream = nullptr
bool	df_owner = false

Detailed Description

Here are a couple of ways one can interact with MolSuppliers:

1) Lazy (ForwardIterator): while(!supplier.atEnd()){ ROMol *mol = supplier.next(); if(mol){ do something; } } 2) Random Access: for(int i=0;i<supplier.length();i++){ ROMol *mol = supplier[i]; if(mol){ do something; } }

Definition at line 63 of file MolSupplier.h.

Constructor & Destructor Documentation

MolSupplier()

RDKit::v2::FileParsers::MolSupplier::MolSupplier ( )

inline

Definition at line 66 of file MolSupplier.h.

~MolSupplier()

virtual RDKit::v2::FileParsers::MolSupplier::~MolSupplier ( )

inlinevirtual

Definition at line 67 of file MolSupplier.h.

Member Function Documentation

atEnd()

virtual bool RDKit::v2::FileParsers::MolSupplier::atEnd ( )

pure virtual

Implemented in RDKit::v2::FileParsers::ForwardSDMolSupplier, RDKit::v2::FileParsers::SDMolSupplier, RDKit::v2::FileParsers::SmilesMolSupplier, RDKit::v2::FileParsers::TDTMolSupplier, and RDKit::v2::FileParsers::PDBMolSupplier.

close()

virtual void RDKit::v2::FileParsers::MolSupplier::close ( )

inlinevirtual

Definition at line 73 of file MolSupplier.h.

init()

virtual void RDKit::v2::FileParsers::MolSupplier::init ( )

pure virtual

Implemented in RDKit::v2::FileParsers::ForwardSDMolSupplier, RDKit::v2::FileParsers::SDMolSupplier, RDKit::v2::FileParsers::SmilesMolSupplier, RDKit::v2::FileParsers::TDTMolSupplier, and RDKit::v2::FileParsers::PDBMolSupplier.

next()

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

pure virtual

Implemented in RDKit::v2::FileParsers::ForwardSDMolSupplier, RDKit::v2::FileParsers::SDMolSupplier, RDKit::v2::FileParsers::SmilesMolSupplier, RDKit::v2::FileParsers::TDTMolSupplier, and RDKit::v2::FileParsers::PDBMolSupplier.

openAndCheckStream()

std::istream * RDKit::v2::FileParsers::MolSupplier::openAndCheckStream ( const std::string & filename )

inlineprotected

Definition at line 97 of file MolSupplier.h.

reset()

virtual void RDKit::v2::FileParsers::MolSupplier::reset ( )

pure virtual

Implemented in RDKit::v2::FileParsers::ForwardSDMolSupplier, RDKit::v2::FileParsers::SDMolSupplier, RDKit::v2::FileParsers::SmilesMolSupplier, RDKit::v2::FileParsers::TDTMolSupplier, and RDKit::v2::FileParsers::PDBMolSupplier.

Member Data Documentation

df_owner

bool RDKit::v2::FileParsers::MolSupplier::df_owner = false

protected

Definition at line 93 of file MolSupplier.h.

dp_inStream

std::istream* RDKit::v2::FileParsers::MolSupplier::dp_inStream = nullptr

protected

Definition at line 91 of file MolSupplier.h.

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

• MolSupplier.h