OpTransform Class Reference

Applies molecular reactions/transforms (OBChemTsfm class) read from a datafile. More...

#include <openbabel/optransform.h>

Inheritance diagram for OpTransform:

List of all members.

Public Types
typedef const std::map < std::string, std::string >	OpMap
typedef std::map< const char *, OBPlugin *, CharPtrLess >	PluginMapType
typedef PluginMapType::const_iterator	PluginIterator
Public Member Functions
	OpTransform (const char *ID, const char *filename, const char *descr)
	~OpTransform ()
virtual const char *	Description ()
virtual bool	WorksWith (OBBase *pOb) const
virtual bool	Do (OBBase *pOb, const char *OptionText=NULL, OpMap *pOptions=NULL, OBConversion *pConv=NULL)
virtual OpTransform *	MakeInstance (const std::vector< std::string > &textlines)
virtual const char *	TypeID ()
virtual bool	ProcessVec (std::vector< OBBase * > &)
virtual bool	Display (std::string &txt, const char *param, const char *ID=NULL)
virtual void	Init ()
const char *	GetID () const
virtual PluginMapType &	GetMap () const =0
Static Public Member Functions
static std::string	OpOptions (OBBase *pOb)
static bool	DoOps (OBBase *pOb, OpMap *pOptions, OBConversion *pConv)
static OBPlugin *	GetPlugin (const char *Type, const char *ID)
static bool	ListAsVector (const char *PluginID, const char *param, std::vector< std::string > &vlist)
static void	List (const char *PluginID, const char *param=NULL, std::ostream *os=&std::cout)
static std::string	ListAsString (const char *PluginID, const char *param=NULL)
static std::string	FirstLine (const char *txt)
static PluginIterator	Begin (const char *PluginID)
static PluginIterator	End (const char *PluginID)
Static Protected Member Functions
static PluginMapType &	PluginMap ()
static PluginMapType &	GetTypeMap (const char *PluginID)
static OBPlugin *	BaseFindType (PluginMapType &Map, const char *ID)
Protected Attributes
const char *	_id

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Detailed Description

Applies molecular reactions/transforms (OBChemTsfm class) read from a datafile.

Since:

version 2.2

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Member Typedef Documentation

typedef const std::map<std::string, std::string> OpMap [inherited]

typedef std::map<const char*, OBPlugin*, CharPtrLess> PluginMapType [inherited]

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Constructor & Destructor Documentation

OpTransform	(	const char *	ID,
		const char *	filename,
		const char *	descr
	)		[inline]

constructor. Each instance provides an ID, a datafile and a description.

Referenced by OpTransform::MakeInstance().

~OpTransform

(

)

[inline]

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Member Function Documentation

virtual const char* Description

(

)

[virtual]

Required description of a sub-type.

Reimplemented from OBPlugin.

virtual bool WorksWith

(

OBBase *

pOb )

const [inline, virtual]

Checks that this op is being applied to the right kind of object(OBMol)

Implements OBOp.

virtual bool Do	(	OBBase *	pOb,
		const char *	OptionText = NULL,
		OpMap *	pOptions = NULL,
		OBConversion *	pConv = NULL
	)		[virtual]

Carries out the transform.

Implements OBOp.

virtual OpTransform* MakeInstance

(

const std::vector< std::string > &

)

[inline, virtual]

Make a new instance of the class. See OpTransform, OBGroupContrib, SmartsDescriptor classes for derived versions. Usually, the first parameter is the classname, the next three are parameters(ID, filename, description) for a constructor, and the rest data.

Reimplemented from OBPlugin.

virtual const char* TypeID

(

)

[inline, virtual, inherited]

Provides the name of this kind of plugin. Use -L "ops" to list from commandline.

Reimplemented from OBPlugin.

virtual bool ProcessVec

(

std::vector< OBBase * > &

)

[inline, virtual, inherited]

Do something with an array of objects. Used a a callback routine in OpSort, etc.

static std::string OpOptions

(

OBBase *

pOb )

[inline, static, inherited]

Returns:

string describing options, for display with -H and to make checkboxes in GUI

static bool DoOps	(	OBBase *	pOb,
		OpMap *	pOptions,
		OBConversion *	pConv
	)		[inline, static, inherited]

Call Do() of all the OBOps whose ID is a key in the map. Called from DoTransformations(). The map has general options like -x or --multicharoption The key is the option name and the value, if any, is text which follows the option name. In some cases, there may be several parameters, space separated)

Returns:

false indicating object should not be output, if any Do() returns false

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

• optransform.h