OpTransform Class Reference

#include <openbabel/optransform.h>

Inheritance diagram for OpTransform:

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 void	LoadAllPlugins ()

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

Static Protected Attributes
static int	AllPluginsLoaded = 0

Detailed Description

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

Since

version 2.2

Member Typedef Documentation

OpMap

typedef const std::map<std::string, std::string> OpMap

inherited

Constructor & Destructor Documentation

OpTransform()

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()

~OpTransform ( )

inline

Member Function Documentation

Description()

virtual const char* Description ( )

virtual

Required description of a sub-type.

Reimplemented from OBPlugin.

Referenced by OpTransform::~OpTransform().

WorksWith()

virtual bool WorksWith ( OBBase *  pOb ) const

inlinevirtual

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

Implements OBOp.

Do()

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

virtual

Carries out the transform.

Implements OBOp.

Referenced by OpTransform::WorksWith().

MakeInstance()

virtual OpTransform* MakeInstance ( const std::vector< std::string > &  )

inlinevirtual

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.

TypeID()

virtual const char* TypeID ( )

inlinevirtualinherited

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

Reimplemented from OBPlugin.

ProcessVec()

virtual bool ProcessVec ( std::vector< OBBase *> &  )

inlinevirtualinherited

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

OpOptions()

static std::string OpOptions ( OBBase *  pOb )

inlinestaticinherited

Returns

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

DoOps()

static bool DoOps ( OBBase *  pOb, OpMap *  pOptions, OBConversion *  pConv  )

inlinestaticinherited

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