RDKit::PDBMolSupplier Class Reference

lazy file parser for PDB files More...

#include <MolSupplier.h>

Inheritance diagram for RDKit::PDBMolSupplier:

Public Member Functions
	PDBMolSupplier (std::istream *inStream, bool takeOwnership=true, bool sanitize=true, bool removeHs=true, unsigned int flavor=0)
	PDBMolSupplier (const std::string &fname, bool sanitize=true, bool removeHs=true, unsigned int flavor=0)
virtual	~PDBMolSupplier ()
virtual void	init ()
virtual void	reset ()
virtual ROMol *	next ()
virtual bool	atEnd ()
Public Member Functions inherited from RDKit::MolSupplier
	MolSupplier ()
virtual	~MolSupplier ()

Protected Attributes
bool	df_sanitize
bool	df_removeHs
unsigned int	d_flavor
Protected Attributes inherited from RDKit::MolSupplier
std::istream *	dp_inStream
bool	df_owner

Detailed Description

lazy file parser for PDB files

Definition at line 330 of file MolSupplier.h.

Constructor & Destructor Documentation

PDBMolSupplier() [1/2]

RDKit::PDBMolSupplier::PDBMolSupplier ( std::istream *  inStream, bool  takeOwnership = true, bool  sanitize = true, bool  removeHs = true, unsigned int  flavor = 0  )

explicit

PDBMolSupplier() [2/2]

RDKit::PDBMolSupplier::PDBMolSupplier ( const std::string &  fname, bool  sanitize = true, bool  removeHs = true, unsigned int  flavor = 0  )

explicit

~PDBMolSupplier()

virtual RDKit::PDBMolSupplier::~PDBMolSupplier ( )

inlinevirtual

Definition at line 338 of file MolSupplier.h.

References RDKit::MolSupplier::atEnd(), RDKit::MolSupplier::df_owner, RDKit::MolSupplier::dp_inStream, RDKit::MolSupplier::init(), RDKit::MolSupplier::next(), and RDKit::MolSupplier::reset().

Member Function Documentation

atEnd()

virtual bool RDKit::PDBMolSupplier::atEnd ( )

virtual

Implements RDKit::MolSupplier.

init()

virtual void RDKit::PDBMolSupplier::init ( )

virtual

Implements RDKit::MolSupplier.

next()

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

virtual

Implements RDKit::MolSupplier.

reset()

virtual void RDKit::PDBMolSupplier::reset ( )

virtual

Implements RDKit::MolSupplier.

Member Data Documentation

d_flavor

unsigned int RDKit::PDBMolSupplier::d_flavor

protected

Definition at line 349 of file MolSupplier.h.

df_removeHs

bool RDKit::PDBMolSupplier::df_removeHs

protected

Definition at line 348 of file MolSupplier.h.

df_sanitize

bool RDKit::PDBMolSupplier::df_sanitize

protected

Definition at line 348 of file MolSupplier.h.

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

• MolSupplier.h