relax SVN archive

Implementation of the statistics.aic user function.

This is very similar to the statistics.model user function - the code was copied and only slightly
modified. The new user function will calculate the current chi-squared value per model, obtain the
model statistics, calculate the AIC value per model, and store the AIC value, chi-squared value and
number of parameters in the appropriate location for the model in the relax data store.

Fix for the N_state_model.test_statistics system test.

The deselected spins and interatomic data containers are now taken into account for the RDC and PCS
data point counts.

Fixes for the N-state model num_data_points() function.

The deselected interatomic data containers are no longer used for counting RDC data. And the
skipping of deselected spin containers for the PCS is now via the spin_loop() skip_desel argument.

More fixes for the PCS count printout from the pipe_control.pcs.return_pcs_data() function.

The check for None values was incorrect.

More fixes for the RDC and PCS count printouts from the corresponding data assembly functions.

Sometimes the RDC or PCS value could be present as None. This is now detected and the count is not
incremented.

Fixes for the printout from the pipe_control.rdc.return_rdc_data() function.

The number of RDCs printed out was including values of None when data was missing for one alignment.
These values of None are no longer counted.

Fixes for the printout from the pipe_control.pcs.return_pcs_data() function.

The number of PCSs printed out was including values of None when data was missing for one alignment.
These values of None are no longer counted.

Updated the N-state model num_data_points() function to use more modern integer incrementation.

Big bug fix for the N-state model num_data_points() function.

This is from the specific_analyses.n_state_model.data module. This code was very much out of date.
It was expecting an ancient behaviour where the spin container 'pcs' variable and interatomic data
container 'rdc' where lists of floats. However these were converted many years ago to dictionaries
with keys set to the alignment IDs. The result was that no RDCs nor PCSs were counted as a base
data point, so the function would in most cases return a value of zero.

Expanded the printouts from the statistics.model user function to include the statistics.