Chemical Data Processing Library Python API - Version 1.0.0
Public Member Functions | Properties | List of all members
CDPL.ForceField.MMFF94TorsionInteractionData Class Reference
+ Inheritance diagram for CDPL.ForceField.MMFF94TorsionInteractionData:

Public Member Functions

None __init__ ()
 Initializes the MMFF94TorsionInteractionData instance.
 
None __init__ (MMFF94TorsionInteractionData ia_data)
 Initializes a copy of the MMFF94TorsionInteractionData instance ia_data. More...
 
int getObjectID ()
 Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
 
int getSize ()
 
bool isEmpty ()
 
None resize (int num_elem, MMFF94TorsionInteraction value)
 
None reserve (int num_elem)
 
int getCapacity ()
 
None clear ()
 
MMFF94TorsionInteractionData assign (MMFF94TorsionInteractionData array)
 Replaces the current state of self with a copy of the state of the MMFF94TorsionInteractionData instance array. More...
 
None assign (int num_elem, MMFF94TorsionInteraction value)
 
None addElement (MMFF94TorsionInteraction value)
 
None addElements (MMFF94TorsionInteractionData values)
 
None insertElement (int idx, MMFF94TorsionInteraction value)
 
None insertElements (int idx, int num_elem, MMFF94TorsionInteraction value)
 
None insertElements (int index, MMFF94TorsionInteractionData values)
 
None popLastElement ()
 
None removeElement (int idx)
 
None removeElements (int begin_idx, int end_idx)
 
MMFF94TorsionInteraction getFirstElement ()
 
MMFF94TorsionInteraction getLastElement ()
 
MMFF94TorsionInteraction getElement (int idx)
 
None setElement (int idx, MMFF94TorsionInteraction value)
 
None __delitem__ (int idx)
 
MMFF94TorsionInteraction __getitem__ (int idx)
 
int __len__ ()
 
None __setitem__ (int index, MMFF94TorsionInteraction value)
 

Properties

 objectID = property(getObjectID)
 
 size = property(getSize)
 

Constructor & Destructor Documentation

◆ __init__()

None CDPL.ForceField.MMFF94TorsionInteractionData.__init__ ( MMFF94TorsionInteractionData  ia_data)

Initializes a copy of the MMFF94TorsionInteractionData instance ia_data.

Parameters
ia_dataThe MMFF94TorsionInteractionData instance to copy.

Member Function Documentation

◆ getObjectID()

int CDPL.ForceField.MMFF94TorsionInteractionData.getObjectID ( )

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

Different Python MMFF94TorsionInteractionData 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 MMFF94TorsionInteractionData 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.

◆ getSize()

int CDPL.ForceField.MMFF94TorsionInteractionData.getSize ( )
Returns

◆ isEmpty()

bool CDPL.ForceField.MMFF94TorsionInteractionData.isEmpty ( )
Returns

◆ resize()

None CDPL.ForceField.MMFF94TorsionInteractionData.resize ( int  num_elem,
MMFF94TorsionInteraction  value 
)
Parameters
num_elem
value

◆ reserve()

None CDPL.ForceField.MMFF94TorsionInteractionData.reserve ( int  num_elem)
Parameters
num_elem

◆ getCapacity()

int CDPL.ForceField.MMFF94TorsionInteractionData.getCapacity ( )
Returns

◆ assign() [1/2]

MMFF94TorsionInteractionData CDPL.ForceField.MMFF94TorsionInteractionData.assign ( MMFF94TorsionInteractionData  array)

Replaces the current state of self with a copy of the state of the MMFF94TorsionInteractionData instance array.

Parameters
arrayThe MMFF94TorsionInteractionData instance to copy.
Returns
self

◆ assign() [2/2]

None CDPL.ForceField.MMFF94TorsionInteractionData.assign ( int  num_elem,
MMFF94TorsionInteraction  value 
)
Parameters
num_elem
value

◆ addElement()

None CDPL.ForceField.MMFF94TorsionInteractionData.addElement ( MMFF94TorsionInteraction  value)
Parameters
value

◆ addElements()

None CDPL.ForceField.MMFF94TorsionInteractionData.addElements ( MMFF94TorsionInteractionData  values)
Parameters
values

◆ insertElement()

None CDPL.ForceField.MMFF94TorsionInteractionData.insertElement ( int  idx,
MMFF94TorsionInteraction  value 
)
Parameters
idx
value

◆ insertElements() [1/2]

None CDPL.ForceField.MMFF94TorsionInteractionData.insertElements ( int  idx,
int  num_elem,
MMFF94TorsionInteraction  value 
)
Parameters
idx
num_elem
value

◆ insertElements() [2/2]

None CDPL.ForceField.MMFF94TorsionInteractionData.insertElements ( int  index,
MMFF94TorsionInteractionData  values 
)
Parameters
index
values

◆ removeElement()

None CDPL.ForceField.MMFF94TorsionInteractionData.removeElement ( int  idx)
Parameters
idx

◆ removeElements()

None CDPL.ForceField.MMFF94TorsionInteractionData.removeElements ( int  begin_idx,
int  end_idx 
)
Parameters
begin_idx
end_idx

◆ getFirstElement()

MMFF94TorsionInteraction CDPL.ForceField.MMFF94TorsionInteractionData.getFirstElement ( )
Returns

◆ getLastElement()

MMFF94TorsionInteraction CDPL.ForceField.MMFF94TorsionInteractionData.getLastElement ( )
Returns

◆ getElement()

MMFF94TorsionInteraction CDPL.ForceField.MMFF94TorsionInteractionData.getElement ( int  idx)
Parameters
idx
Returns

◆ setElement()

None CDPL.ForceField.MMFF94TorsionInteractionData.setElement ( int  idx,
MMFF94TorsionInteraction  value 
)
Parameters
idx
value

◆ __delitem__()

None CDPL.ForceField.MMFF94TorsionInteractionData.__delitem__ ( int  idx)
Parameters
idx

◆ __getitem__()

MMFF94TorsionInteraction CDPL.ForceField.MMFF94TorsionInteractionData.__getitem__ ( int  idx)
Parameters
idx
Returns

◆ __len__()

int CDPL.ForceField.MMFF94TorsionInteractionData.__len__ ( )
Returns

◆ __setitem__()

None CDPL.ForceField.MMFF94TorsionInteractionData.__setitem__ ( int  index,
MMFF94TorsionInteraction  value 
)
Parameters
index
value
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