RDKit
Open-source cheminformatics and machine learning.
RDKit::MolSupplier Class Referenceabstract

#include <MolSupplier.h>

Inheritance diagram for RDKit::MolSupplier:
RDKit::ForwardSDMolSupplier RDKit::PDBMolSupplier RDKit::SmilesMolSupplier RDKit::TDTMolSupplier RDKit::SDMolSupplier

Public Member Functions

 MolSupplier ()
 
virtual ~MolSupplier ()
 
virtual void init ()=0
 
virtual void reset ()=0
 
virtual bool atEnd ()=0
 
virtual ROMolnext ()=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 45 of file MolSupplier.h.

Constructor & Destructor Documentation

RDKit::MolSupplier::MolSupplier ( )
inline

Definition at line 48 of file MolSupplier.h.

Referenced by ~MolSupplier().

virtual RDKit::MolSupplier::~MolSupplier ( )
inlinevirtual

Definition at line 49 of file MolSupplier.h.

References atEnd(), init(), MolSupplier(), next(), and reset().

Member Function Documentation

Member Data Documentation

bool RDKit::MolSupplier::df_owner
protected
std::istream* RDKit::MolSupplier::dp_inStream
protected

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