Author: bugman
Date: Fri Feb 18 11:33:18 2011
New Revision: 12551
URL: http://svn.gna.org/viewcvs/relax?rev=12551&view=rev
Log:
Merged revisions 11636-11637,12535-12547,12549 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/bruker_import
........
r11636 | michaelbieri | 2010-10-11 00:25:46 +0200 (Mon, 11 Oct 2010) | 2
lines
Example outputfiles of BRUKER Protein Dynamic Center (PDC) were added.
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r11637 | michaelbieri | 2010-10-11 03:42:10 +0200 (Mon, 11 Oct 2010) | 4
lines
Function to import BRUKER Protein Dynamic Center project is added.
The import will be converted to a relax formatted parameter file, either as
a dummy file or saved at a specified location.
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r12535 | bugman | 2011-02-17 16:14:49 +0100 (Thu, 17 Feb 2011) | 7 lines
Updated the PDC R1 data file to version 1.1.5.
This file was sent by Klaus-Peter Neidig <peter dot neidig att
bruker-biospin dot de> in the message
https://mail.gna.org/public/relax-devel/2011-01/msg00043.html (Message-id:
<4D3ED3AC.20107@xxxxxxxxxxxxxxxxx>).
........
r12536 | bugman | 2011-02-17 16:22:15 +0100 (Thu, 17 Feb 2011) | 3 lines
Created the prompt/script interface to the pdc.read() user function.
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r12537 | bugman | 2011-02-17 16:25:56 +0100 (Thu, 17 Feb 2011) | 3 lines
Create a stub of a back-end for the pdc.read() user function.
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r12538 | bugman | 2011-02-17 16:42:14 +0100 (Thu, 17 Feb 2011) | 3 lines
Added a sequence file for the data in these test PDC files.
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r12539 | bugman | 2011-02-17 16:59:31 +0100 (Thu, 17 Feb 2011) | 3 lines
Added a basic system test for the loading of a PDC file.
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r12540 | bugman | 2011-02-17 17:00:44 +0100 (Thu, 17 Feb 2011) | 3 lines
Added some missing imports.
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r12541 | bugman | 2011-02-17 17:01:25 +0100 (Thu, 17 Feb 2011) | 3 lines
Typo fix for the PDC reading system test.
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r12542 | bugman | 2011-02-17 17:30:24 +0100 (Thu, 17 Feb 2011) | 3 lines
Implemented the reading of relaxation data from the PDC file.
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r12543 | bugman | 2011-02-17 17:31:45 +0100 (Thu, 17 Feb 2011) | 3 lines
The PDC system test has been loosened - the precision is not perfect.
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r12544 | bugman | 2011-02-17 17:34:53 +0100 (Thu, 17 Feb 2011) | 3 lines
Added some checks for the current data pipe relaxation data structures to
the PDC reading system test.
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r12545 | bugman | 2011-02-18 10:23:00 +0100 (Fri, 18 Feb 2011) | 3 lines
The temperature from the PDC file is now being read, although it isn't used
yet.
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r12546 | bugman | 2011-02-18 10:23:37 +0100 (Fri, 18 Feb 2011) | 3 lines
The 'Labelling' line from the PDC file is now used to set the heteronucleus
type and spin name.
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r12547 | bugman | 2011-02-18 10:41:25 +0100 (Fri, 18 Feb 2011) | 5 lines
Implemented the code for reading the peak intensity type.
This is not active yet as it can only be used in the BMRB branch.
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r12549 | bugman | 2011-02-18 11:25:45 +0100 (Fri, 18 Feb 2011) | 5 lines
Fix for the integration method block in the pdc.read() back end.
The commented out code requires at least some code in the block.
........
Added:
1.3/generic_fns/pdc.py
- copied unchanged from r12549,
branches/bruker_import/generic_fns/pdc.py
1.3/prompt/pdc.py
- copied unchanged from r12549, branches/bruker_import/prompt/pdc.py
1.3/test_suite/shared_data/pdc_files/
- copied from r11637,
branches/bruker_import/test_suite/shared_data/pdc_files/
1.3/test_suite/shared_data/pdc_files/seq
- copied unchanged from r12549,
branches/bruker_import/test_suite/shared_data/pdc_files/seq
1.3/test_suite/system_tests/pdc.py
- copied unchanged from r12549,
branches/bruker_import/test_suite/system_tests/pdc.py
Modified:
1.3/ (props changed)
1.3/generic_fns/__init__.py
1.3/generic_fns/spectrum.py
1.3/prompt/__init__.py
1.3/prompt/interpreter.py
1.3/test_suite/shared_data/pdc_files/testT1.txt
1.3/test_suite/system_tests/__init__.py
[This mail would be too long, it was shortened to contain the URLs only.]
Modified: 1.3/generic_fns/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/__init__.py?rev=12551&r1=12550&r2=12551&view=diff
Modified: 1.3/generic_fns/spectrum.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/spectrum.py?rev=12551&r1=12550&r2=12551&view=diff
Modified: 1.3/prompt/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/prompt/__init__.py?rev=12551&r1=12550&r2=12551&view=diff
Modified: 1.3/prompt/interpreter.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/prompt/interpreter.py?rev=12551&r1=12550&r2=12551&view=diff
Modified: 1.3/test_suite/shared_data/pdc_files/testT1.txt
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/pdc_files/testT1.txt?rev=12551&r1=11637&r2=12551&view=diff
Modified: 1.3/test_suite/system_tests/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/__init__.py?rev=12551&r1=12550&r2=12551&view=diff
r12551 - in /1.3: ./ generic_fns/ prompt/ test_suite/shared_data/pdc_files/ test_suite/system_tests/