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Commit Date  
[r27026] by bugman

Added the nmrglue module to the data_store package __all__ list.

2014-12-08 17:15:15 Tree
[r27025] by bugman

Updated all of the system tests for the cdp.nmrglue data structure changes.

2014-12-08 16:58:26 Tree
[r27024] by bugman

More improvements for the data_store.nmrglue.Nmrglue __repr__() method.

The printed representation now only shows the data, dic, and udic objects.

2014-12-08 16:57:43 Tree
[r27023] by bugman

Fixes and improvements for the data_store.nmrglue.Nmrglue object __repr__() method.

The Element class objects are now skipped, avoiding recursive __repr__() problems. And the string
returned is now better formatted.

2014-12-08 16:49:37 Tree
[r27022] by bugman

Full support for saving and loading nmrglue data in the relax data store.

This is for XML formatted relax state and results files. The implementation was complicated as a
special data_store.data_classes.RelaxDictType object with to_xml() and from_xml() method has been
introduced to handle custom dictionary-type objects.

The cdp.nmrglue object is the data_store.nmrglue.Nmrglue_dict object which inherits from the
RelaxDictType object. This has elements set to data_store.nmrglue.Nmrglue instances. This Nmrglue
object inherits from data_store.data_classes.Element, however the to_xml() and from_xml() methods
have been copied and modified for this special object. This Nmrglue container has three main
attributes, the nmrglue dic, udic, and data objects.

The Nmrglue to_xml() and from_xml() methods handle the 'data' object by encoding and decoding it in
the Base64 string format. All the other objects are handled by the fill_object_contents() or
xml_to_object() functions of lib.xml.

2014-12-08 16:40:35 Tree
[r27021] by tlinnet

For the systemtest Nmrglue.plot_plot_correlation, added the linear correlation of the intensities.

Task #7873 (https://gna.org/task/index.php?7873): Write wrapper function to nmrglue, to read .ft2 files and process them.
Homepage: http://www.nmrglue.com/
Link to nmrglue discussion: https://groups.google.com/forum/#!forum/nmrglue-discuss
The code is develop at Github: https://github.com/jjhelmus/nmrglue/
Google code: https://code.google.com/p/nmrglue/
Documentation: http://nmrglue.readthedocs.org/en/latest/index.html

2014-12-08 16:24:39 Tree
[r27020] by tlinnet

Added two new statistics function to get the linear correlation factor from:

y = a*x
y = a*x + b

Task #7873 (https://gna.org/task/index.php?7873): Write wrapper function to nmrglue, to read .ft2 files and process them.
Homepage: http://www.nmrglue.com/
Link to nmrglue discussion: https://groups.google.com/forum/#!forum/nmrglue-discuss
The code is develop at Github: https://github.com/jjhelmus/nmrglue/
Google code: https://code.google.com/p/nmrglue/
Documentation: http://nmrglue.readthedocs.org/en/latest/index.html

2014-12-08 16:24:35 Tree
[r27019] by bugman

Updated the Nmrglue.test_save_state system test for the changed data store structures.

2014-12-08 15:32:27 Tree
[r27018] by tlinnet

Added systemtest Nmrglue.plot_plot_correlation, which shows how nmrglue could be used for a correlation plot of all intensities
in a spectrum.

io.file_list: Is used to quickly assemble a long list of filenames in a directory:
spectrum.nmrglue_read: is used to read the data.

The numpy arrays for all spectrums in the two methods are then concatenated.
Then the intensities are plotted against each other.

This shows how the intensities are modulated.

Task #7873 (https://gna.org/task/index.php?7873): Write wrapper function to nmrglue, to read .ft2 files and process them.
Homepage: http://www.nmrglue.com/
Link to nmrglue discussion: https://groups.google.com/forum/#!forum/nmrglue-discuss
The code is develop at Github: https://github.com/jjhelmus/nmrglue/
Google code: https://code.google.com/p/nmrglue/
Documentation: http://nmrglue.readthedocs.org/en/latest/index.html

2014-12-08 15:21:20 Tree
[r27017] by bugman

Fix for the __init__() method for the Nmrglue data store object.

The base method was incorrectly called. The nmrglue dic, udic, and data objects are now expected
for data structure initialisation.

2014-12-08 15:10:47 Tree
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