Chemical Data Processing Library Python API - Version 1.4.0
Public Member Functions | List of all members
CDPL.Chem.PiElectronSystemList Class Reference

Implements the perception of all π-electron systems present in a molecule. More...

+ Inheritance diagram for CDPL.Chem.PiElectronSystemList:

Public Member Functions

None __init__ ()
 Constructs an empty PiElectronSystemList instance.
 
None __init__ (MolecularGraph molgraph)
 Constructs a PiElectronSystemList instance storing all π-electron systems of the molecular graph molgraph. More...
 
None perceive (MolecularGraph molgraph)
 Perceives all π-electron systems present in the molecular graph molgraph. More...
 
- Public Member Functions inherited from CDPL.Chem.ElectronSystemList
None __init__ (ElectronSystemList list)
 Contructs a copy of the ElectronSystemList instance list. More...
 
int getObjectID ()
 Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
 
int getSize ()
 Returns the number of elements stored in the list. More...
 
bool isEmpty ()
 Tells whether the list is empty (getSize() == 0). More...
 
None resize (int num_elem, ElectronSystem value)
 Inserts or erases elements at the end so that the size becomes num_elem. More...
 
None reserve (int num_elem)
 Preallocates memory for (at least) num_elem elements. More...
 
int getCapacity ()
 Returns the number of elements for which memory has been allocated. More...
 
None clear ()
 Erases all elements.
 
ElectronSystemList assign (ElectronSystemList list)
 Replaces the current state with a copy of the state of the ElectronSystemList instance list. More...
 
None assign (int num_elem, ElectronSystem value)
 This function fills the array with num_elem copies of the given value. More...
 
None addElement (ElectronSystem value)
 Adds a new element at the end of the list. More...
 
None addElements (ElectronSystemList values)
 Adds the elements of values to the end of the list. More...
 
None insertElement (int idx, ElectronSystem value)
 Inserts a new element before the location specified by the index idx. More...
 
None insertElements (int idx, int num_elem, ElectronSystem value)
 Inserts num_elem copies of value before the location specified by the index idx. More...
 
None insertElements (int idx, ElectronSystemList values)
 Insert the elements of values before the location specified by the index idx. More...
 
None popLastElement ()
 Removes the last element of the list. More...
 
None removeElement (int idx)
 Removes the element at index idx. More...
 
None removeElements (int begin_idx, int end_idx)
 Removes the elements at indices in the range [begin_idx, end_idx). More...
 
ElectronSystem getFirstElement ()
 Returns the first element of the list. More...
 
ElectronSystem getLastElement ()
 Returns the last element of the list. More...
 
ElectronSystem getElement (int idx)
 Returns the element at index idx. More...
 
None setElement (int idx, ElectronSystem value)
 Assigns a new value to the element at index idx. More...
 
None __delitem__ (int idx)
 Removes the element at index idx. More...
 
ElectronSystem __getitem__ (int idx)
 Returns the element at index idx. More...
 
int __len__ ()
 Returns the number of elements stored in the list. More...
 
None __setitem__ (int idx, ElectronSystem value)
 Assigns a new value to the element at index idx. More...
 
bool __eq__ (object list)
 Returns the result of the comparison operation self == list. More...
 
bool __ne__ (object list)
 Returns the result of the comparison operation self != list. More...
 

Additional Inherited Members

- Properties inherited from CDPL.Chem.ElectronSystemList
 objectID = property(getObjectID)
 
 size = property(getSize)
 

Detailed Description

Implements the perception of all π-electron systems present in a molecule.

Constructor & Destructor Documentation

◆ __init__()

None CDPL.Chem.PiElectronSystemList.__init__ ( MolecularGraph  molgraph)

Constructs a PiElectronSystemList instance storing all π-electron systems of the molecular graph molgraph.

Parameters
molgraphThe molecular graph for which to perceive the π-electron systems.

Member Function Documentation

◆ perceive()

None CDPL.Chem.PiElectronSystemList.perceive ( MolecularGraph  molgraph)

Perceives all π-electron systems present in the molecular graph molgraph.

Parameters
molgraphThe molecular graph for which to perceive the π-electron systems.