Chemical Data Processing Library Python API - Version 1.2.0
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Public Member Functions | |
None | __init__ (str file_name, OpenMode mode=Base.IOStream.OpenMode(60)) |
Initializes the FileSMILESBZ2ReactionWriter instance. More... | |
Public Member Functions inherited from CDPL.Chem.ReactionWriterBase | |
None | __init__ () |
Initializes the ReactionWriterBase instance. | |
ReactionWriterBase | write (Reaction rxn) |
Writes the Reaction object rxn. More... | |
None | close () |
Writes format dependent data (if required) to mark the end of output. More... | |
bool | __bool__ () |
bool | __nonzero__ () |
Public Member Functions inherited from CDPL.Base.DataIOBase | |
int | registerIOCallback (VoidDataIOBaseFunctor func) |
Registers an I/O callback target function. More... | |
None | unregisterIOCallback (int id) |
Unregisters the I/O callback function specified by id. More... | |
None | invokeIOCallbacks (float progress) |
Invokes all registered I/O callback functions with the argument self . More... | |
None | clearIOCallbacks () |
Clears all registered I/O callback functions. | |
Public Member Functions inherited from CDPL.Base.ControlParameterContainer | |
None | setParameter (LookupKey key, Any value) |
bool | removeParameter (LookupKey key) |
Removes the entry for the control-parameter specified by key. More... | |
Any | getParameter (LookupKey key, bool throw_=False, bool local=False) |
Returns the value of the control-parameter specified by key. More... | |
Any | getParameterOrDefault (LookupKey key, Any def_value, bool local=False) |
bool | isParameterSet (LookupKey key, bool local=False) |
Tells whether or not a value has been assigned to the control-parameter specified by key. More... | |
None | clearParameters () |
Erases all container entries. More... | |
None | addParameters (ControlParameterContainer cntnr) |
Adds the control-parameter value entries in the ControlParameterContainer instance cntnr. More... | |
None | copyParameters (ControlParameterContainer cntnr) |
Replaces the current set of properties by a copy of the entries in cntnr. More... | |
int | getNumParameters () |
Returns the number of container entries. More... | |
int | registerParameterChangedCallback (VoidLookupKeyAnyFunctor func) |
Registers a callback target function that gets invoked when the value of a control-parameter has changed. More... | |
None | unregisterParameterChangedCallback (int id) |
Unregisters the callback specified by id. More... | |
int | registerParameterRemovedCallback (VoidLookupKeyFunctor func) |
Registers a callback target function that gets invoked when a control-parameter entry has been removed. More... | |
None | unregisterParameterRemovedCallback (int id) |
Unregisters the callback specified by id. More... | |
int | registerParentChangedCallback (VoidFunctor func) |
Registers a callback target function that gets invoked when the parent container has been changed or was detached. More... | |
None | unregisterParentChangedCallback (int id) |
Unregisters the callback specified by id. More... | |
ControlParameterContainer | getParent () |
Returns a reference to the parent control-parameter container. More... | |
None | setParent (ControlParameterContainer cntnr) |
Sets or removes the parent control-parameter container used to resolve requests for missing entries. More... | |
list | getParameterKeys () |
list | getParameterValues () |
list | getParameters () |
Returns a reference to itself. More... | |
int | getObjectID () |
Returns the numeric identifier (ID) of the wrapped C++ class instance. More... | |
Any | __getitem__ (LookupKey key) |
None | __setitem__ (LookupKey key, Any value) |
bool | __delitem__ (LookupKey self) |
bool | __contains__ (LookupKey self, bool key) |
Returns the result of the membership test operation self in arg1 . More... | |
int | __len__ () |
Additional Inherited Members | |
Properties inherited from CDPL.Base.ControlParameterContainer | |
objectID = property(getObjectID) | |
parent = property(getParent, setParent) | |
parameterKeys = property(getParameterKeys) | |
parameterValues = property(getParameterValues) | |
parameters = property(getParameters) | |
numParameters = property(getNumParameters) | |
None CDPL.Chem.FileSMILESBZ2ReactionWriter.__init__ | ( | str | file_name, |
OpenMode | mode = Base.IOStream.OpenMode(60) |
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Initializes the FileSMILESBZ2ReactionWriter instance.
file_name | |
mode |