relax SVN archive

Moved the calculation of pA and kex out off all loopes.

This was done by having two special 1/0 spin structure arrays.

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

Merged revisions 23753 via svnmerge from
svn+ssh://tlinnet@.../svn/relax/trunk

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r23753 | tlinnet | 2014-06-09 19:23:21 +0200 (Mon, 09 Jun 2014) | 7 lines

Added searching for enviroment variable PYTHON_INCLUDE_DIR if Python.h is not found in
standard python library.

This can be very handsome, if one has a python virtual enviroment for multiple users.

This relates to the wiki page:
http://wiki.nmr-relax.com/Epd_canopy
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Moved the calculation of dw_frq out of spin and spectrometer loop.

This is done by having a special 1/0 spin numpy array, which turns on or off the values in the numpy array multiplication.

The multiplication needs to first axis expand dw, and then tile the arrays according to the numpy structure.

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

Lowered the number of iterations to the profiling scripts.

This is to use the profiling script as bug finder.

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

Small fix for the indicies to the errors and values numpy array.

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

Added a self.frqs_a as a multidimensional numpy array.

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

Made copies of numpy arrays instead of creating from new.

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

Added searching for enviroment variable PYTHON_INCLUDE_DIR if Python.h is not found in
standard python library.

This can be very handsome, if one has a python virtual enviroment for multiple users.

This relates to the wiki page:
http://wiki.nmr-relax.com/Epd_canopy

Removed unused import of numpy.

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

Changed all calls to numpy np.X functions to just the numpy function in lib/dispersion/cr72.py.

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