Author: bugman
Date: Fri Feb 18 17:51:01 2011
New Revision: 12572
URL: http://svn.gna.org/viewcvs/relax?rev=12572&view=rev
Log:
Merged revisions 12550-12552,12554-12563,12566 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3
................
r12550 | bugman | 2011-02-18 11:31:46 +0100 (Fri, 18 Feb 2011) | 3 lines
Initialized merge tracking via "svnmerge" with revisions "1-11635" from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/bruker_import
................
r12551 | bugman | 2011-02-18 11:33:18 +0100 (Fri, 18 Feb 2011) | 79 lines
Merged revisions 11636-11637,12535-12547,12549 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/bruker_import
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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.
........
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.
........
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r12552 | bugman | 2011-02-18 11:35:40 +0100 (Fri, 18 Feb 2011) | 3 lines
Removed merge tracking for "svnmerge" for
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/bruker_import
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r12554 | bugman | 2011-02-18 12:41:55 +0100 (Fri, 18 Feb 2011) | 3 lines
Added some data files and scripts for checking the consistency of the PDC
data verse relax's data.
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r12555 | bugman | 2011-02-18 12:45:09 +0100 (Fri, 18 Feb 2011) | 3 lines
Some cosmetic changes to the PDC data conversion test script.
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r12556 | bugman | 2011-02-18 14:20:06 +0100 (Fri, 18 Feb 2011) | 3 lines
Added a relax script and R1 data file for relax's optimisation and MC sims
using the PDC file errors.
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r12557 | bugman | 2011-02-18 14:24:01 +0100 (Fri, 18 Feb 2011) | 3 lines
Created the peak height error file errors_R1.txt from testT1.txt.
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r12558 | bugman | 2011-02-18 14:24:52 +0100 (Fri, 18 Feb 2011) | 3 lines
Added residue name and number info to the print out of the convert_data.py
PDC file script.
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r12559 | bugman | 2011-02-18 14:32:10 +0100 (Fri, 18 Feb 2011) | 3 lines
Added a script for converting the PDC NOE data into Python lists.
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r12560 | bugman | 2011-02-18 14:37:50 +0100 (Fri, 18 Feb 2011) | 3 lines
Added a system test for the reading of a PDC NOE file.
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r12561 | bugman | 2011-02-18 14:49:43 +0100 (Fri, 18 Feb 2011) | 3 lines
Fix for the NOE PDC data conversion script.
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r12562 | bugman | 2011-02-18 14:50:37 +0100 (Fri, 18 Feb 2011) | 5 lines
Fix for the test_pdc_read_noe() PDC file reading system test.
The NOE values were actually the errors.
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r12563 | bugman | 2011-02-18 14:51:49 +0100 (Fri, 18 Feb 2011) | 3 lines
Some fixes for the pdc.read() back end so that PDC NOE data files can be
read properly.
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r12566 | bugman | 2011-02-18 15:19:21 +0100 (Fri, 18 Feb 2011) | 13 lines
Merged the changes to the CHANGES file from the 1.3.10 tag.
The command used was:
svn merge -r12564:12565 svn+ssh://bugman@xxxxxxxxxxx/svn/relax/tags/1.3.10
.....
r12565 | bugman | 2011-02-18 15:18:06 +0100 (Fri, 18 Feb 2011) | 3 lines
Changed paths:
M /tags/1.3.10/docs/CHANGES
Updated the CHANGES file for relax version 1.3.10 (see
http://www.nmr-relax.com/download.html).
.....
................
Added:
branches/cst/generic_fns/pdc.py
- copied unchanged from r12566, 1.3/generic_fns/pdc.py
branches/cst/prompt/pdc.py
- copied unchanged from r12566, 1.3/prompt/pdc.py
branches/cst/test_suite/shared_data/pdc_files/
- copied from r12566, 1.3/test_suite/shared_data/pdc_files/
branches/cst/test_suite/system_tests/pdc.py
- copied unchanged from r12566, 1.3/test_suite/system_tests/pdc.py
Modified:
branches/cst/ (props changed)
branches/cst/docs/CHANGES
branches/cst/generic_fns/__init__.py
branches/cst/generic_fns/spectrum.py
branches/cst/prompt/__init__.py
branches/cst/prompt/interpreter.py
branches/cst/test_suite/system_tests/__init__.py
[This mail would be too long, it was shortened to contain the URLs only.]
Modified: branches/cst/docs/CHANGES
URL:
http://svn.gna.org/viewcvs/relax/branches/cst/docs/CHANGES?rev=12572&r1=12571&r2=12572&view=diff
Modified: branches/cst/generic_fns/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/branches/cst/generic_fns/__init__.py?rev=12572&r1=12571&r2=12572&view=diff
Modified: branches/cst/generic_fns/spectrum.py
URL:
http://svn.gna.org/viewcvs/relax/branches/cst/generic_fns/spectrum.py?rev=12572&r1=12571&r2=12572&view=diff
Modified: branches/cst/prompt/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/branches/cst/prompt/__init__.py?rev=12572&r1=12571&r2=12572&view=diff
Modified: branches/cst/prompt/interpreter.py
URL:
http://svn.gna.org/viewcvs/relax/branches/cst/prompt/interpreter.py?rev=12572&r1=12571&r2=12572&view=diff
Modified: branches/cst/test_suite/system_tests/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/branches/cst/test_suite/system_tests/__init__.py?rev=12572&r1=12571&r2=12572&view=diff
r12572 - in /branches/cst: ./ docs/ generic_fns/ prompt/ test_suite/shared_data/pdc_files/ test_suite/system_tests/