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

#include <MolWriters.h>

Inheritance diagram for RDKit::MolWriter:
RDKit::PDBWriter RDKit::SDWriter RDKit::SmilesWriter RDKit::TDTWriter

Public Member Functions

virtual ~MolWriter ()
 
virtual void write (const ROMol &mol, int confId=defaultConfId)=0
 
virtual void flush ()=0
 
virtual void close ()=0
 
virtual void setProps (const STR_VECT &propNames)=0
 
virtual unsigned int numMols () const =0
 

Detailed Description

Definition at line 23 of file MolWriters.h.

Constructor & Destructor Documentation

virtual RDKit::MolWriter::~MolWriter ( )
inlinevirtual

Definition at line 25 of file MolWriters.h.

References close(), flush(), numMols(), setProps(), and write().

Member Function Documentation

virtual void RDKit::MolWriter::close ( )
pure virtual
virtual unsigned int RDKit::MolWriter::numMols ( ) const
pure virtual
virtual void RDKit::MolWriter::setProps ( const STR_VECT propNames)
pure virtual
virtual void RDKit::MolWriter::write ( const ROMol mol,
int  confId = defaultConfId 
)
pure virtual

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