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

Protected Attributes
std::istream *	dp_inStream
bool	df_owner

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 56 of file MolSupplier.h.

Constructor & Destructor Documentation

MolSupplier()

RDKit::MolSupplier::MolSupplier ( )

inline

Definition at line 59 of file MolSupplier.h.

~MolSupplier()

virtual RDKit::MolSupplier::~MolSupplier ( )

inlinevirtual

Definition at line 60 of file MolSupplier.h.

Member Function Documentation

atEnd()

virtual bool RDKit::MolSupplier::atEnd ( )

pure virtual

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

init()

virtual void RDKit::MolSupplier::init ( )

pure virtual

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

next()

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

pure virtual

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

reset()

virtual void RDKit::MolSupplier::reset ( )

pure virtual

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

Member Data Documentation

df_owner

bool RDKit::MolSupplier::df_owner

protected

Definition at line 78 of file MolSupplier.h.

dp_inStream

std::istream* RDKit::MolSupplier::dp_inStream

protected

Definition at line 76 of file MolSupplier.h.

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

• MolSupplier.h