Class SpinContainer

Class containing all the spin system specific data.

Instance Methods

__init__(self, spin_name=None, spin_num=None, select=True)
Set up the default objects of the spin system data container.

__repr__(self)
The string representation of the object.

_back_compat_hook(self, file_version=None)
Method for converting old spin data structures to the new ones.

_back_compat_hook_mf_data(self)
Converting the old model-free parameter vector to the new one.

_back_compat_hook_ri_data(self)
Converting the old spin relaxation data structures to the new ones.

_generate_hash(self)
Generate a unique hash for the spin.

bool is_empty(self)
Method for testing if this SpinContainer object is empty.

Inherited from prototype.Prototype: __clone__, __deepcopy__

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __setattr__, __sizeof__, __str__, __subclasshook__

Properties

Inherited from object: __class__

Method Details

__init__(self, spin_name=None, spin_num=None, select=True)
(Constructor)

Set up the default objects of the spin system data container.

Parameters:

• spin_name (str or None) - The name of the spin.
• spin_num (str or None) - The number of the spin.
• select (bool) - The selection flag.

Overrides: object.__init__

__repr__(self)
(Representation operator)

The string representation of the object.

Rather than using the standard Python conventions (either the string representation of the value or the "<...desc...>" notation), a rich-formatted description of the object is given.

Overrides: object.__repr__

_back_compat_hook(self, file_version=None)

Method for converting old spin data structures to the new ones.

Parameters:

• file_version (int) - The relax XML version of the XML file.

is_empty(self)

Method for testing if this SpinContainer object is empty.

Returns: bool

True if this container is empty and the spin number and name have not been set, False otherwise.