RDKit::v1::MolSupplier Class Reference

#include <MolSupplier.v1API.h>

Inheritance diagram for RDKit::v1::MolSupplier:

Public Member Functions
	MolSupplier ()
virtual	~MolSupplier ()
void	init ()
void	reset ()
bool	atEnd ()
ROMol *	next ()
virtual void	close ()

Protected Attributes
std::unique_ptr< v2::FileParsers::MolSupplier >	dp_supplier

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 36 of file MolSupplier.v1API.h.

Constructor & Destructor Documentation

MolSupplier()

RDKit::v1::MolSupplier::MolSupplier ( )

inline

Definition at line 39 of file MolSupplier.v1API.h.

~MolSupplier()

virtual RDKit::v1::MolSupplier::~MolSupplier ( )

inlinevirtual

Definition at line 40 of file MolSupplier.v1API.h.

Member Function Documentation

atEnd()

bool RDKit::v1::MolSupplier::atEnd ( )

inline

Definition at line 52 of file MolSupplier.v1API.h.

References dp_supplier.

close()

virtual void RDKit::v1::MolSupplier::close ( )

inlinevirtual

Definition at line 63 of file MolSupplier.v1API.h.

References dp_supplier.

init()

void RDKit::v1::MolSupplier::init ( )

inline

Definition at line 41 of file MolSupplier.v1API.h.

References dp_supplier.

next()

ROMol * RDKit::v1::MolSupplier::next ( )

inline

Definition at line 58 of file MolSupplier.v1API.h.

References dp_supplier, and PRECONDITION.

reset()

void RDKit::v1::MolSupplier::reset ( )

inline

Definition at line 46 of file MolSupplier.v1API.h.

References dp_supplier.

Member Data Documentation

dp_supplier

std::unique_ptr<v2::FileParsers::MolSupplier> RDKit::v1::MolSupplier::dp_supplier

protected

Definition at line 78 of file MolSupplier.v1API.h.

Referenced by atEnd(), close(), RDKit::v1::ForwardSDMolSupplier::ForwardSDMolSupplier(), RDKit::v1::ForwardSDMolSupplier::getEOFHitOnRead(), RDKit::v1::SDMolSupplier::getItemText(), RDKit::v1::SmilesMolSupplier::getItemText(), RDKit::v1::TDTMolSupplier::getItemText(), RDKit::v1::ForwardSDMolSupplier::getProcessPropertyLists(), init(), RDKit::v1::SDMolSupplier::length(), RDKit::v1::SmilesMolSupplier::length(), RDKit::v1::TDTMolSupplier::length(), RDKit::v1::SDMolSupplier::moveTo(), RDKit::v1::SmilesMolSupplier::moveTo(), RDKit::v1::TDTMolSupplier::moveTo(), next(), RDKit::v1::SDMolSupplier::operator[](), RDKit::v1::SmilesMolSupplier::operator[](), RDKit::v1::TDTMolSupplier::operator[](), reset(), RDKit::v1::SDMolSupplier::SDMolSupplier(), RDKit::v1::SDMolSupplier::SDMolSupplier(), RDKit::v1::SDMolSupplier::SDMolSupplier(), RDKit::v1::SDMolSupplier::setData(), RDKit::v1::SDMolSupplier::setData(), RDKit::v1::SmilesMolSupplier::setData(), RDKit::v1::TDTMolSupplier::setData(), RDKit::v1::ForwardSDMolSupplier::setProcessPropertyLists(), RDKit::v1::SDMolSupplier::setStreamIndices(), RDKit::v1::SmilesMolSupplier::SmilesMolSupplier(), RDKit::v1::SmilesMolSupplier::SmilesMolSupplier(), RDKit::v1::SmilesMolSupplier::SmilesMolSupplier(), RDKit::v1::TDTMolSupplier::TDTMolSupplier(), RDKit::v1::TDTMolSupplier::TDTMolSupplier(), and RDKit::v1::TDTMolSupplier::TDTMolSupplier().

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

• MolSupplier.v1API.h