OpenBabel::XMLMoleculeFormat

XMLMoleculeFormat Class Reference

Abstract class for XML formats which represent molecules. More...

#include <openbabel/xml.h>

Inheritance diagram for XMLMoleculeFormat:

Inheritance graph
[legend]
List of all members.

Public Member Functions

virtual bool ReadChemObject (OBConversion *pConv)
virtual bool WriteChemObject (OBConversion *pConv)
virtual bool ReadMolecule (OBBase *pOb, OBConversion *pConv)
const std::type_info & GetType ()
virtual const char * NamespaceURI () const=0
virtual bool DoElement (const std::string &ElName)
virtual bool EndElement (const std::string &ElName)
virtual const char * EndTag ()
virtual bool WriteMolecule (OBBase *, OBConversion *)
virtual const char * Description ()=0
virtual const char * TargetClassDescription ()
virtual const char * SpecificationURL ()
virtual const char * GetMIMEType ()
virtual unsigned int Flags ()
virtual OBFormat * MakeNewInstance ()

Protected Member Functions

xmlTextReaderPtr reader () const
xmlTextWriterPtr writer () const
void OutputToStream ()
virtual int SkipObjects (int n, OBConversion *pConv)

Protected Attributes

OBMol * _pmol
XMLConversion * _pxmlConv
std::string _prefix
int baseindent
int ind
std::string nsdecl
int _embedlevel

Detailed Description

Abstract class for XML formats which represent molecules.

Member Function Documentation

virtual bool ReadChemObject ( OBConversion *   )  [inline, virtual]

The "Convert" interface Read function.

Possibly reads multiple new objects on the heap and subjects them to its DoTransformations() function, which may delete them again. Sends result to pConv->AddChemObject()

Reimplemented from OBFormat.

virtual bool WriteChemObject ( OBConversion *   )  [inline, virtual]

The "Convert" interface Write function.

Writes a single object Deletes the object after writing

Returns:
false on error

Reimplemented from OBFormat.

virtual bool ReadMolecule ( OBBase *  ,
OBConversion *   
) [inline, virtual]

The "API" interface Read function.

Reads a single object. Does not make a new object on the heap; can be used with a pointer to an chem object on the heap or the stack.

Reimplemented from OBFormat.

const std::type_info& GetType (  )  [inline, virtual]

Returns:
the type of chemical object used by the format.

Defaults to that used by the default format. Useful for checking that a format can handle a particular object.

Reimplemented from OBFormat.

virtual const char* NamespaceURI (  )  const [pure virtual, inherited]

virtual bool DoElement ( const std::string &  ElName  )  [inline, virtual, inherited]

virtual bool EndElement ( const std::string &  ElName  )  [inline, virtual, inherited]

virtual const char* EndTag (  )  [inline, virtual, inherited]

The tag at the end of the chemical object e.g. "/molecule>".

xmlTextReaderPtr reader (  )  const [inline, protected, inherited]

xmlTextWriterPtr writer (  )  const [inline, protected, inherited]

void OutputToStream (  )  [inline, protected, inherited]

virtual int SkipObjects ( int  n,
OBConversion *  pConv 
) [inline, protected, virtual, inherited]

Skip past first n objects in input stream (or current one with n=0) Returns 1 on success, -1 on error and 0 if not implemented

Reimplemented from OBFormat.

virtual bool WriteMolecule ( OBBase *  ,
OBConversion *   
) [inline, virtual, inherited]

The "API" interface Write function.

Writes a single object Does not delete the object; can be used with a pointer to an chem object on the heap or the stack.

Returns:
false on error.

virtual const char* Description (  )  [pure virtual, inherited]

Information on this format. Printed out in response to -Hxxx option where xxx id the id of the format.

Must be provided by each format class. Can include a list of command line Options. These may be used to construction check boxes, radio buttons etc for GUI interface.

const char * TargetClassDescription (  )  [virtual, inherited]

If not provided, the object type used by the default format is used (usually OBMol).

virtual const char* SpecificationURL (  )  [inline, virtual, inherited]

Web address where the format is defined.

virtual const char* GetMIMEType (  )  [inline, virtual, inherited]

Chemical MIME type associated with this file type (if any).

virtual unsigned int Flags (  )  [inline, virtual, inherited]

Decribes the capabilities of the format (Read only etc.).

Currently, can be a bitwise OR of any of the following NOTREADABLE READONEONLY NOTWRITABLE WRITEONEONLY DEFAULTFORMAT READBINARY WRITEBINARY READXML

virtual OBFormat* MakeNewInstance (  )  [inline, virtual, inherited]

Returns:
a pointer to a new instance of the format, or NULL if fails.

Normally a single global instance is used but this may cause problems if there are member variables and the format is used in more than one place in the program.

Member Data Documentation

OBMol* _pmol [protected]

XMLConversion* _pxmlConv [protected, inherited]

std::string _prefix [protected, inherited]

int baseindent [protected, inherited]

int ind [protected, inherited]

std::string nsdecl [protected, inherited]

int _embedlevel [protected, inherited]

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