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

Chem.MolecularGraphMatchExpressionList implementation that evaluates the stored expressions as a logical conjunction (AND). More...

+ Inheritance diagram for CDPL.Chem.ANDMolecularGraphMatchExpressionList:

Public Member Functions

None __init__ ()
 Creates an empty list.
 
None __init__ (ANDMolecularGraphMatchExpressionList expr)
 Contructs a copy of the ANDMolecularGraphMatchExpressionList instance expr. More...
 
ANDMolecularGraphMatchExpressionList assign (ANDMolecularGraphMatchExpressionList expr)
 Replaces the current state with a copy of the state of the ANDMolecularGraphMatchExpressionList instance expr. More...
 
- Public Member Functions inherited from CDPL.Chem.MolecularGraphMatchExpressionList
None __init__ (MolecularGraphMatchExpressionList expr)
 Contructs a copy of the MolecularGraphMatchExpressionList instance expr. 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, MolecularGraphMatchExpression 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.
 
MolecularGraphMatchExpressionList assign (MolecularGraphMatchExpressionList list)
 Replaces the current state with a copy of the state of the MolecularGraphMatchExpressionList instance list. More...
 
None assign (int num_elem, MolecularGraphMatchExpression value)
 This function fills the array with num_elem copies of the given value. More...
 
None addElement (MolecularGraphMatchExpression value)
 Adds a new element at the end of the list. More...
 
None addElements (MolecularGraphMatchExpressionList values)
 Adds the elements of values to the end of the list. More...
 
None insertElement (int idx, MolecularGraphMatchExpression value)
 Inserts a new element before the location specified by the index idx. More...
 
None insertElements (int idx, int num_elem, MolecularGraphMatchExpression value)
 Inserts num_elem copies of value before the location specified by the index idx. More...
 
None insertElements (int idx, MolecularGraphMatchExpressionList 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...
 
MolecularGraphMatchExpression getFirstElement ()
 Returns the first element of the list. More...
 
MolecularGraphMatchExpression getLastElement ()
 Returns the last element of the list. More...
 
MolecularGraphMatchExpression getElement (int idx)
 Returns the element at index idx. More...
 
None setElement (int idx, MolecularGraphMatchExpression value)
 Assigns a new value to the element at index idx. More...
 
bool requiresAtomBondMapping ()
 Tells whether the expression list requires a reevaluation after a query to target object mapping candidate has been found. More...
 
None __delitem__ (int idx)
 Removes the element at index idx. More...
 
MolecularGraphMatchExpression __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, MolecularGraphMatchExpression value)
 Assigns a new value to the element at index idx. More...
 
bool __eq__ (object expr)
 Returns the result of the comparison operation self == expr. More...
 
bool __ne__ (object expr)
 Returns the result of the comparison operation self != expr. More...
 
- Public Member Functions inherited from CDPL.Chem.MolecularGraphMatchExpression
bool __call__ (MolecularGraph query_molgraph, MolecularGraph target_molgraph, Base.Any aux_data)
 Performs an evaluation of the expression for the given query and target molecular graphs. More...
 
bool __call__ (MolecularGraph query_molgraph, MolecularGraph target_molgraph, AtomBondMapping mapping, Base.Any aux_data)
 Performs an evaluation of the expression for the given query and target molecular graphs under consideration of the provided candidate atom/bond mapping. More...
 

Additional Inherited Members

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

Detailed Description

Chem.MolecularGraphMatchExpressionList implementation that evaluates the stored expressions as a logical conjunction (AND).

The list evaluates to True if and only if every contained Chem.MolecularGraphMatchExpression instance evaluates to True for the given query/target object pairs (short-circuit evaluation). An empty list evaluates to True.

Constructor & Destructor Documentation

◆ __init__()

None CDPL.Chem.ANDMolecularGraphMatchExpressionList.__init__ ( ANDMolecularGraphMatchExpressionList  expr)

Contructs a copy of the ANDMolecularGraphMatchExpressionList instance expr.

Parameters
exprThe ANDMolecularGraphMatchExpressionList instance to copy.

Member Function Documentation

◆ assign()

ANDMolecularGraphMatchExpressionList CDPL.Chem.ANDMolecularGraphMatchExpressionList.assign ( ANDMolecularGraphMatchExpressionList  expr)

Replaces the current state with a copy of the state of the ANDMolecularGraphMatchExpressionList instance expr.

Parameters
exprThe ANDMolecularGraphMatchExpressionList instance to copy.
Returns
self.