svn+ssh://bugman@.../svn/relax/trunk
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r20655 | bugman | 2013-08-21 10:28:17 +0200 (Wed, 21 Aug 2013) | 6 lines
Created the Chemical_shift.test_read_sparky system test for the reading of chemical shifts.
This is for the reading of shifts from a Sparky peak list. It tests the currently non-existent
chemical_shift.read user function.
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r20656 | bugman | 2013-08-21 11:04:28 +0200 (Wed, 21 Aug 2013) | 5 lines
Created some incredibly basic icons for the chemical shift user functions.
These are simply an omega symbol and will need to be replaced by something better in the future.
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r20657 | bugman | 2013-08-21 11:43:00 +0200 (Wed, 21 Aug 2013) | 5 lines
Created the chemical_shift.read user function.
This includes both the front and back end code.
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r20658 | bugman | 2013-08-21 14:20:32 +0200 (Wed, 21 Aug 2013) | 3 lines
Removed an unused import.
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r20659 | bugman | 2013-08-21 14:21:51 +0200 (Wed, 21 Aug 2013) | 6 lines
Shifted all the modules from lib.software to do with peak lists to lib.spectrum.
This is for a more logical organisation, as these modules are solely used by the
lib.spectrum.peak_list module.
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r20660 | bugman | 2013-08-21 14:24:38 +0200 (Wed, 21 Aug 2013) | 6 lines
Renamed all of read_*() functions of the lib.spectrum modules for consistency.
These functions will now be used to read all types of data from a peak list, from the assignments
to chemical shifts to peak intensites, and everything in between.
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r20661 | bugman | 2013-08-21 14:31:03 +0200 (Wed, 21 Aug 2013) | 6 lines
Modified the peak list object.
The peak list dimensionality variable is no longer private, and many values of None are now
converted to lists of None so that the peak list data is easier to handle.
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r20662 | bugman | 2013-08-21 14:32:18 +0200 (Wed, 21 Aug 2013) | 3 lines
Missing imports for the new pipe_control.chemical_shift module.
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r20663 | bugman | 2013-08-21 14:33:15 +0200 (Wed, 21 Aug 2013) | 3 lines
Fix for the proton name in the new Chemical_shift.test_read_sparky system test.
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r20664 | bugman | 2013-08-21 15:08:03 +0200 (Wed, 21 Aug 2013) | 8 lines
Expanded the functionality of the lib.spectrum.sparky.read_list() function.
Now the dimensionality of the peak list is automatically determined, and all peak lists from 1D to
4D are supported. The chemical shifts are also automatically detected and extracted from the list
and placed into the peak list object. The peak intensity data is also automatically detected,
therefore the int_col argument is no longer used.
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r20665 | bugman | 2013-08-21 15:10:50 +0200 (Wed, 21 Aug 2013) | 3 lines
The lib.spectrum.sparky.read_list() function can now auto-detect the peak volume column and use it for intensities.
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r20666 | bugman | 2013-08-21 16:12:46 +0200 (Wed, 21 Aug 2013) | 5 lines
Created the Chemical_shift.test_read_xeasy system test.
This is for checking the reading of chemical shifts from a 2D XEasy peak list.
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r20667 | bugman | 2013-08-21 16:13:22 +0200 (Wed, 21 Aug 2013) | 3 lines
Implemented the reading of chemical shifts in the lib.spectrum.xeasy.read_list() function.
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r20668 | bugman | 2013-08-21 16:18:17 +0200 (Wed, 21 Aug 2013) | 6 lines
Created the Chemical_shift.test_read_nmrview system test.
This, if not obvious from the name, is for checking the reading of chemical shifts from an NMRView
peak list.
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r20669 | bugman | 2013-08-21 16:23:15 +0200 (Wed, 21 Aug 2013) | 3 lines
Implemented the reading of chemical shifts in the lib.spectrum.nmrview.read_list() function.
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