RDKit::MolSupplier Class Reference

#include <MolSupplier.h>

Inheritance diagram for RDKit::MolSupplier:

Public Member Functions
	MolSupplier ()
virtual	~MolSupplier ()
virtual void	init ()=0
virtual void	reset ()=0
virtual bool	atEnd ()=0
virtual ROMol *	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 59 of file MolSupplier.h.

Constructor & Destructor Documentation

MolSupplier()

RDKit::MolSupplier::MolSupplier ( )

inline

Definition at line 62 of file MolSupplier.h.

~MolSupplier()

virtual RDKit::MolSupplier::~MolSupplier ( )

inlinevirtual

Definition at line 63 of file MolSupplier.h.

Member Function Documentation

atEnd()

virtual bool RDKit::MolSupplier::atEnd ( )

pure virtual

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

close()

virtual void RDKit::MolSupplier::close ( )

inlinevirtual

Definition at line 69 of file MolSupplier.h.

init()

virtual void RDKit::MolSupplier::init ( )

pure virtual

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

next()

virtual ROMol * RDKit::MolSupplier::next ( )

pure virtual

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

openAndCheckStream()

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

inlineprotected

Definition at line 93 of file MolSupplier.h.

reset()

virtual void RDKit::MolSupplier::reset ( )

pure virtual

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

Member Data Documentation

df_owner

bool RDKit::MolSupplier::df_owner = false

protected

Definition at line 89 of file MolSupplier.h.

dp_inStream

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

protected

Definition at line 87 of file MolSupplier.h.

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

• MolSupplier.h