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The frame order geometric representation functions are no longer PDB specific.

Instead the format argument is accepted. This will allow different formats to be supported in the
future. Because of this change, all specific_analyses.frame_order.geometric.pdb_*() functions has
been renamed to create_*().

Shifted the frame order geometric representation functions into their own module.

This is the new specific_analyses.frame_order.geometric module.

Slight speed up of the 'B14' and 'B14 full' dispersion models by minimising repetitive maths.

Using the disp_profile_all.py script, the speed ups for these two models are:

100 single spins analysis:
B14: 3.944+/-0.032 -> 3.888+/-0.038, 1.014x faster.
B14 full: 4.037+/-0.040 -> 3.940+/-0.025, 1.025x faster.

Cluster of 100 spins analysis:
B14: 0.522+/-0.003 -> 0.507+/-0.008, 1.031x faster.
B14 full: 0.507+/-0.008 -> 0.487+/-0.007, 1.042x faster.

Added Ti and NT to the dispersion target function class documentation.

Expanded the dispersion target function class documentation.

The NE, NS, NM, NO, and ND notation is now explained.

Fix for unit test passing on old numpy systems.

The error was:
ValueError: setting an array element with a sequence.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

Added a list of systemtests to skip, if numpy "out" argument is not available.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

Added the missing "self.num_exp" to target function.

Testing on older system, this was failing the systemtest.
It is a wonder how these lines in __init__ could be performed without this?

self.end_index.append(self.num_exp * self.num_spins * self.num_frq)
if model in [MODEL_B14_FULL, MODEL_CR72_FULL, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR_FULL]:
self.end_index.append(2 * self.num_exp * self.num_spins * self.num_frq)

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

Added a numpy "out" argument check to dep_check.py.

This is for checking the out argument of:
numpy.multiply
numpy.add
numpy.subtract

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

Added to target function that experiment_type_setup() should not be initiated, if numpy.einsum is missing.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.