relax SVN archive

Replaced the temporary structure self.frqs_a to self.frqs, which works for all target functions.

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

Updates for the Frame_order.test_rigid_data_to_pseudo_ellipse*_model system tests.

The chi-squared value now matches the rigid model.

Merged revisions 23945 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r23945 | bugman | 2014-06-13 17:54:50 +0200 (Fri, 13 Jun 2014) | 17 lines

Reverted r23693 as SciPy is actually still used in the frame order analyses.

The command used was:
$ svn merge -r23693:r23692 .

.....
r23693 | bugman | 2014-06-06 14:24:44 +0200 (Fri, 06 Jun 2014) | 6 lines
Changed paths:
M /trunk/docs/latex/install.tex

Removed all SciPy references in the installation chapter of the manual.

This is because SciPy is no longer used in the frame order analysis, hence it is not used for any
part of relax.
.....
........

Fix for the rigid frame order model broken at r23973.

The rigid frame order matrix for the pseudo-ellipse models is now correctly handled.

This allows the rigid case RDCs to be correctly calculated for both the pseudo-ellipse and
torsionless pseudo-ellipse models. The previous catch of the theta_x cone angle of zero was
incorrectly recreating the frame order matrix, which really should be the identity matrix. However
truncation artifacts due to the quadratic SciPy integration still cause the model to be
ill-conditioned near the rigid case. The rigid case is correctly handled, but a tiny shift of the
parameters off zero cause a discontinuity.

Fix for the fix of r23978, the theta_x angle should be checked for zero as it is the smallest.

Updates for the chi-squared value in all the Frame_order.test_rigid_data_to_*_model system tests.

This is now much reduced as the true rigid state is now being tested for.

Fixes for all PCS numeric integration for all frame order models in the rigid case.

The exact PCS values for the rigid state are now correctly calculated when no Sobol' points lie
within the motional model. The identity matrix is used to set the rotation to zero, and the PCS
values are now multiplied by the constant.

Fix for the frame order matrix calculation for a pseudo-elliptic cone with angles of zero degrees.

The lib.frame_order.pseudo_ellipse_torsionless.compile_2nd_matrix_pseudo_ellipse_torsionless()
function has been changed to prevent a divide by zero failure. The surface area normalisation
factor now defaults to 0.0.

Modified the rigid_test.py system test script to really be the rigid case.

This is used in all of the Frame_order.test_rigid_data_to_*_model system tests. Previously the
parameters of the dynamics were set to being close to zero, to catch the cases were a few Sobol'
PCS integration points were accepted. But now the case were no Sobol' points can be used is being
tested. This checks a code path currently untested in the test suite, demonstrating many failures.