Class API_common

Base class containing API methods common to multiple analysis types.

Instance Methods

str _base_data_loop_spin(self)
Generator method for looping over the base data of the specific analysis type (spin system specific).

_create_mc_relax_data(self, data_id)
Return the Monte Carlo relaxation data list for the corresponding spin.

_data_init_dummy(self, data, sim=False)
Dummy method for initialising data structures.

_data_init_spin(self, data, sim=False)
Initialise data structures (spin system specific).

_deselect_global(self, sim_index=None, model_info=None)
Common method for deselecting a global model.

bool _eliminate_false(self, name, value, args, sim=None, model_info=None)
Dummy method for model elimination.

class instance _get_model_container_cdp(self, model_info=None)
Return the current data pipe as the model container.

bool _has_errors_spin(self)
Testing if errors exist for the current data pipe (spin system specific).

bool _is_spin_param_false(self, name)
Common method stating that the parameter is not spin specific.

bool _is_spin_param_true(self, name)
Common method stating that the parameter is spin specific.

int _model_loop_single_global(self)
Default generator method for looping over a single global (non-spin specific) model.

SpinContainer instance, str _model_loop_spin(self)
Default generator method for looping over the models, where each spin has a separate model.

str _model_type_global(self)
Return the type of the model as being 'global'.

str _model_type_local(self)
Return the type of the model as being 'local'.

int _num_instances_spin(self)
Return the number of instances, equal to the number of selected spins.

_overfit_deselect_dummy(self, data_check=True, verbose=True)
Dummy method, normally for deselecting spins with insufficient data for minimisation.

_print_model_title_global(self, prefix=None, model_info=None)
Default method for when the model_loop() method simply loops over a single global model.

_print_model_title_spin(self, prefix=None, model_info=None)
Default method for when the model_loop() method simply loops over spins.

list of float _return_data_relax_data(self, spin)
Return the Ri data structure for the given spin.

list of float _return_error_relax_data(self, data_id)
Return the Ri error structure for the corresponding spin.

float _return_no_conversion_factor(self, param)
Method for returning 1.0.

tuple of length 2 of floats or None _return_value_general(self, spin, param, sim=None, bc=False)
Return the value and error corresponding to the parameter 'param'.

_set_error_spin(self, index, error, model_info=None)
Set the parameter errors (spin system specific).

_set_param_values_global(self, param=None, value=None, index=None, spin_id=None, error=False, force=True)
Set the global parameter values in the top layer of the data pipe.

_set_param_values_spin(self, param=None, value=None, index=None, spin_id=None, error=False, force=True)
Set the spin specific parameter values.

_set_selected_sim_global(self, select_sim, model_info=None)
Set the simulation selection flag (for a single global model).

_set_selected_sim_spin(self, select_sim, model_info=None)
Set the simulation selection flag (spin system specific).

_set_update(self, param, spin)
Dummy method to do nothing!

_sim_init_values_spin(self)
Initialise the Monte Carlo parameter values (spin system specific).

_sim_pack_relax_data(self, data_id, sim_data)
Pack the Monte Carlo simulation relaxation data into the corresponding spin container.

list of float or float _sim_return_chi2_spin(self, index=None, model_info=None)
Return the simulation chi-squared values (spin system specific).

list of float _sim_return_param_spin(self, index, model_info=None)
Return the array of simulation parameter values (spin system specific).

list of int _sim_return_selected_global(self, model_info=None)
Return the array of selected simulation flags for the global model.

list of int _sim_return_selected_spin(self, model_info=None)
Return the array of selected simulation flags (spin system specific).

Method Details

_base_data_loop_spin(self)

Generator method for looping over the base data of the specific analysis type (spin system specific).

This method simply loops over the spins, returning the spin identification string.

Returns: str

The spin identification string

_create_mc_relax_data(self, data_id)

Return the Monte Carlo relaxation data list for the corresponding spin.

Parameters:

• data_id (str) - The spin identification string, as yielded by the base_data_loop() generator method.

_data_init_dummy(self, data, sim=False)

Dummy method for initialising data structures.

This method does nothing!

Parameters:

• data (instance) - The data from the base_data_loop() method.
• sim (bool) - The unused Monte Carlo simulation flag.

_data_init_spin(self, data, sim=False)

Initialise data structures (spin system specific).

Parameters:

• data (str) - The spin ID string from the _base_data_loop_spin() method.
• sim (bool) - The Monte Carlo simulation flag, which if true will initialise the simulation data structure.

_deselect_global(self, sim_index=None, model_info=None)

Common method for deselecting a global model.

Parameters:

• sim_index (None or int) - The optional Monte Carlo simulation index. If None, then models will be deselected, otherwise the given simulation will.
• model_info (int) - The model information from _model_loop_single_global(). This should be zero for the single global model.

_eliminate_false(self, name, value, args, sim=None, model_info=None)

Dummy method for model elimination.

This simply returns False to signal that no model elimination is to be performed.

Parameters:

• name (str) - The parameter name.
• value (float) - The parameter value.
• args (None or tuple of float) - The elimination constant overrides.
• sim (int) - The Monte Carlo simulation index.
• model_info (unknown) - The model information from model_loop().

Returns: bool

False to prevent model elimination.

_get_model_container_cdp(self, model_info=None)

Return the current data pipe as the model container.

Parameters:

• model_info (unknown) - The model information from model_loop().

Returns: class instance

The data container corresponding to the model.

_has_errors_spin(self)

Testing if errors exist for the current data pipe (spin system specific).

Returns: bool

The answer to the question of whether errors exist.

_is_spin_param_false(self, name)

Common method stating that the parameter is not spin specific.

This method always returns False, hence all parameters will be considered global.

Parameters:

• name (str) - The name of the parameter.

Returns: bool

False

_is_spin_param_true(self, name)

Common method stating that the parameter is spin specific.

This method always returns true, hence all parameters will be considered residents of a SpinContainer object.

Parameters:

• name (str) - The name of the parameter.

Returns: bool

True

_model_loop_single_global(self)

Default generator method for looping over a single global (non-spin specific) model.

The loop will yield a single index, zero, once to indicate a single model.

Returns: int

The global model index of zero.

_model_loop_spin(self)

Default generator method for looping over the models, where each spin has a separate model.

In this case only a single model per spin system is assumed. The yielded data is the spin container object. The spin ID string is also yielded to allow the corresponding spin container to be identified.

Returns: SpinContainer instance, str

The spin container and the spin ID string.

_model_type_global(self)

Return the type of the model as being 'global'.

Returns: str

The model type of 'global'.

_model_type_local(self)

Return the type of the model as being 'local'.

Returns: str

The model type of 'local'.

_num_instances_spin(self)

Return the number of instances, equal to the number of selected spins.

Returns: int

The number of instances (equal to the number of spins).

_print_model_title_global(self, prefix=None, model_info=None)

Default method for when the model_loop() method simply loops over a single global model.

Parameters:

• prefix (str) - The starting text of the title. This should be printed out first, followed by the model information text.
• model_info (int) - The model information from _model_loop_single_global(). This should be zero for the single global model.

_print_model_title_spin(self, prefix=None, model_info=None)

Default method for when the model_loop() method simply loops over spins.

Parameters:

• prefix (str) - The starting text of the title. This should be printed out first, followed by the model information text.
• model_info (SpinContainer instance, str) - The spin container and the spin ID string from the _model_loop_spin() method.

_return_data_relax_data(self, spin)

Return the Ri data structure for the given spin.

Parameters:

• spin (SpinContainer instance) - The SpinContainer object.

Returns: list of float

The array of relaxation data values.

_return_error_relax_data(self, data_id)

Return the Ri error structure for the corresponding spin.

Parameters:

• data_id (str) - The data identification information, as yielded by the base_data_loop() generator method.

Returns: list of float

The array of relaxation data error values.

_return_no_conversion_factor(self, param)

Method for returning 1.0.

Parameters:

• param (str) - The parameter name.

Returns: float

A conversion factor of 1.0.

_return_value_general(self, spin, param, sim=None, bc=False)

Return the value and error corresponding to the parameter 'param'.

If sim is set to an integer, return the value of the simulation and None. The values are taken from the given SpinContainer object.

Parameters:

• spin (SpinContainer) - The SpinContainer object.
• param (str) - The name of the parameter to return values for.
• sim (None or int) - The Monte Carlo simulation index.
• bc (bool) - The back-calculated data flag. If True, then the back-calculated data will be returned rather than the actual data.

Returns: tuple of length 2 of floats or None

The value and error corresponding to

_set_error_spin(self, index, error, model_info=None)

Set the parameter errors (spin system specific).

Parameters:

• index (int) - The index of the parameter to set the errors for.
• error (float) - The error value.
• model_info (SpinContainer instance, str) - The spin container and the spin ID string from the _model_loop_spin() method.

_set_param_values_global(self, param=None, value=None, index=None, spin_id=None, error=False, force=True)

Set the global parameter values in the top layer of the data pipe.

Parameters:

• param (list of str) - The parameter name list.
• value (list) - The parameter value list.
• index (None or int) - The index for parameters which are of the list-type. This is unused.
• spin_id (None) - The spin identification string (unused).
• error (bool) - A flag which if True will allow the parameter errors to be set instead of the values.
• force (bool) - A flag which if True will cause current values to be overwritten. If False, a RelaxError will raised if the parameter value is already set.

_set_param_values_spin(self, param=None, value=None, index=None, spin_id=None, error=False, force=True)

Set the spin specific parameter values.

Parameters:

• param (list of str) - The parameter name list.
• value (list) - The parameter value list.
• index (None or int) - The index for parameters which are of the list-type. This is unused.
• spin_id (None or str) - The spin identification string, only used for spin specific parameters.
• error (bool) - A flag which if True will allow the parameter errors to be set instead of the values.
• force (bool) - A flag which if True will cause current values to be overwritten. If False, a RelaxError will raised if the parameter value is already set.

_set_selected_sim_global(self, select_sim, model_info=None)

Set the simulation selection flag (for a single global model).

Parameters:

• select_sim (bool) - The selection flag for the simulations.
• model_info (int) - The model information from _model_loop_single_global(). This should be zero for the single global model.

_set_selected_sim_spin(self, select_sim, model_info=None)

Set the simulation selection flag (spin system specific).

Parameters:

• select_sim (bool) - The selection flag for the simulations.
• model_info (SpinContainer instance, str) - The spin container and the spin ID string from the _model_loop_spin() method.

_set_update(self, param, spin)

Dummy method to do nothing!

Parameters:

• param (str) - The name of the parameter which has been changed.
• spin (SpinContainer) - The SpinContainer object.

_sim_pack_relax_data(self, data_id, sim_data)

Pack the Monte Carlo simulation relaxation data into the corresponding spin container.

Parameters:

• data_id (str) - The spin identification string, as yielded by the base_data_loop() generator method.
• sim_data (list of float) - The Monte Carlo simulation data.

_sim_return_chi2_spin(self, index=None, model_info=None)

Return the simulation chi-squared values (spin system specific).

Parameters:

• index (int) - The optional simulation index.
• model_info (SpinContainer instance, str) - The spin container and the spin ID string from the _model_loop_spin() method.

Returns: list of float or float

The list of simulation chi-squared values. If the index is supplied, only a single value will be returned.

_sim_return_param_spin(self, index, model_info=None)

Return the array of simulation parameter values (spin system specific).

Parameters:

• index (int) - The index of the parameter to return the array of values for.
• model_info (SpinContainer instance, str) - The spin container and the spin ID string from the _model_loop_spin() method.

Returns: list of float

The array of simulation parameter values.

_sim_return_selected_global(self, model_info=None)

Return the array of selected simulation flags for the global model.

Parameters:

• model_info (int) - The model information from _model_loop_single_global(). This should be zero for the single global model.

Returns: list of int

The array of selected simulation flags.

_sim_return_selected_spin(self, model_info=None)

Return the array of selected simulation flags (spin system specific).

Parameters:

• model_info (SpinContainer instance, str) - The spin container and the spin ID string from the _model_loop_spin() method.

Returns: list of int

The array of selected simulation flags.