OpTransform Class Reference

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

#include <openbabel/optransform.h>

Inheritance diagram for OpTransform:
OBOp OBPlugin

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 OpTransformMakeInstance (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 PluginMapTypeGetMap () const =0

Static Public Member Functions

static std::string OpOptions (OBBase *pOb)
static bool DoOps (OBBase *pOb, OpMap *pOptions, OBConversion *pConv)
static OBPluginGetPlugin (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 PluginMapTypePluginMap ()
static PluginMapTypeGetTypeMap (const char *PluginID)
static OBPluginBaseFindType (PluginMapType &Map, const char *ID)

Protected Attributes

const char * _id

Detailed Description

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

Since:
version 2.2

Member Typedef Documentation

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

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]

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

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