Open Babel: OpTransform Class Reference

Public Types | Public Member Functions | Static Public Member Functions | Static Protected Member Functions | Protected Attributes

# 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

## 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:

- optransform.h

All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Defines