CDPL.ConfGen.FragmentLibraryGenerator Class Reference

FragmentLibraryGenerator. More...

Inheritance diagram for CDPL.ConfGen.FragmentLibraryGenerator:

Public Member Functions
None	__init__ ()
	Initializes the FragmentLibraryGenerator instance.
None	__init__ (FragmentLibrary lib)
	Initializes the FragmentLibraryGenerator instance. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
None	setFragmentLibrary (FragmentLibrary lib)
FragmentLibrary	getFragmentLibrary ()
None	setAbortCallback (CallbackFunction func)
CallbackFunction	getAbortCallback ()
None	setTimeoutCallback (CallbackFunction func)
CallbackFunction	getTimeoutCallback ()
None	setLogMessageCallback (LogMessageCallbackFunction func)
LogMessageCallbackFunction	getLogMessageCallback ()
int	process (MolecularGraph self, Chem.MolecularGraph frag)
int	getNumGeneratedConformers ()
int	getLibraryEntryHashCode ()
FragmentConformerGeneratorSettings	getSettings ()

Properties
	objectID = property(getObjectID)
	settings = property(getSettings)
	abortCallback = property(getAbortCallback, setAbortCallback)
	timeoutCallback = property(getTimeoutCallback, setTimeoutCallback)
	fragmentLibrary = property(getFragmentLibrary, setFragmentLibrary)
	numGeneratedConformers = property(getNumGeneratedConformers)
	libraryEntryHashCode = property(getLibraryEntryHashCode)
	logMessageCallback = property(getLogMessageCallback, setLogMessageCallback)

Detailed Description

FragmentLibraryGenerator.

Constructor & Destructor Documentation

__init__()

None CDPL.ConfGen.FragmentLibraryGenerator.__init__

(

FragmentLibrary

lib

)

Initializes the FragmentLibraryGenerator instance.

Parameters

lib

Member Function Documentation

getObjectID()

int CDPL.ConfGen.FragmentLibraryGenerator.getObjectID

(

)

Returns the numeric identifier (ID) of the wrapped C++ class instance.

Different Python FragmentLibraryGenerator instances may reference the same underlying C++ class instance. The commonly used Python expression a is not b thus cannot tell reliably whether the two FragmentLibraryGenerator instances a and b reference different C++ objects. The numeric identifier returned by this method allows to correctly implement such an identity test via the simple expression a.getObjectID() != b.getObjectID().

Returns

The numeric ID of the internally referenced C++ class instance.

setFragmentLibrary()

None CDPL.ConfGen.FragmentLibraryGenerator.setFragmentLibrary

(

FragmentLibrary

lib

)

Parameters

lib

getFragmentLibrary()

FragmentLibrary CDPL.ConfGen.FragmentLibraryGenerator.getFragmentLibrary

(

)

Returns

setAbortCallback()

None CDPL.ConfGen.FragmentLibraryGenerator.setAbortCallback

(

CallbackFunction

func

)

Parameters

func

getAbortCallback()

CallbackFunction CDPL.ConfGen.FragmentLibraryGenerator.getAbortCallback

(

)

Returns

setTimeoutCallback()

None CDPL.ConfGen.FragmentLibraryGenerator.setTimeoutCallback

(

CallbackFunction

func

)

Parameters

func

getTimeoutCallback()

CallbackFunction CDPL.ConfGen.FragmentLibraryGenerator.getTimeoutCallback

(

)

Returns

setLogMessageCallback()

None CDPL.ConfGen.FragmentLibraryGenerator.setLogMessageCallback

(

LogMessageCallbackFunction

func

)

Parameters

func

getLogMessageCallback()

LogMessageCallbackFunction CDPL.ConfGen.FragmentLibraryGenerator.getLogMessageCallback

(

)

Returns

process()

int CDPL.ConfGen.FragmentLibraryGenerator.process	(	MolecularGraph	self,
		Chem.MolecularGraph	frag
	)

Parameters

arg1
frag

Returns

getNumGeneratedConformers()

int CDPL.ConfGen.FragmentLibraryGenerator.getNumGeneratedConformers

(

)

Returns

getLibraryEntryHashCode()

int CDPL.ConfGen.FragmentLibraryGenerator.getLibraryEntryHashCode

(

)

Returns

getSettings()

FragmentConformerGeneratorSettings CDPL.ConfGen.FragmentLibraryGenerator.getSettings

(

)

Returns