Author: bugman
Date: Sat Aug 3 13:26:56 2013
New Revision: 20523
URL: http://svn.gna.org/viewcvs/relax?rev=20523&view=rev
Log:
Merged revisions 20501-20522 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk
........
r20501 | bugman | 2013-08-02 13:39:53 +0200 (Fri, 02 Aug 2013) | 7 lines
Removed the flag for single_spectrum.
Progress sr #3043: (https://gna.org/support/index.php?3043) - support for
NMRPipe seriesTab format *.ser.
Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_
gmail_dot_com
Signed-off-by: Edward d'Auvergne <edward _att_ nmr-relax _dott_ com>
........
r20502 | bugman | 2013-08-02 13:40:28 +0200 (Fri, 02 Aug 2013) | 7 lines
Fixed wrong reference to Sparky format.
Progress sr #3043: (https://gna.org/support/index.php?3043) - support for
NMRPipe seriesTab format *.ser.
Troels E. Linnet provided this patch. Commit by: tlinset _aaattt_
gmail_dot_com
Signed-off-by: Edward d'Auvergne <edward _att_ nmr-relax _dott_ com>
........
r20503 | bugman | 2013-08-02 13:51:50 +0200 (Fri, 02 Aug 2013) | 7 lines
Modfied the intensity list to handle intensities for all spectra per spin.
Progress sr #3043: (https://gna.org/support/index.php?3043) - support for
NMRPipe seriesTab format *.ser.
Troels E. Linnet provided this patch. Commit by: tlinset _aaattt_
gmail_dot_com
Signed-off-by: Edward d'Auvergne <edward _att_ nmr-relax _dott_ com>
........
r20504 | bugman | 2013-08-02 13:52:16 +0200 (Fri, 02 Aug 2013) | 7 lines
Fixed the extraction of NMRPipe seriestab data in
pipe_control.spectrum.read().
Progress sr #3043: (https://gna.org/support/index.php?3043) - support for
NMRPipe seriesTab format *.ser.
Troels E. Linnet provided this patch. Commit by: tlinset _aaattt_
gmail_dot_com
Signed-off-by: Edward d'Auvergne <edward _att_ nmr-relax _dott_ com>
........
r20505 | bugman | 2013-08-02 13:53:52 +0200 (Fri, 02 Aug 2013) | 7 lines
Fix for handling reading spin of type heteronuc='NE1' and proton='HE1'.
Progress sr #3043: (https://gna.org/support/index.php?3043) - support for
NMRPipe seriesTab format *.ser.
Troels E. Linnet provided this patch. Commit by: tlinset _aaattt_
gmail_dot_com
Signed-off-by: Edward d'Auvergne <edward _att_ nmr-relax _dott_ com>
........
r20506 | bugman | 2013-08-02 14:00:20 +0200 (Fri, 02 Aug 2013) | 9 lines
Adding NMR seriesTab data file for a multiple column / multiple spectrum
formatted file.
This file is from https://gna.org/support/download.php?file_id=18618
attached to the support request
https://gna.org/support/?3043 by Troels Linnet.
This is if the command:
seriesTab -in ../../peaks.dat -out seriesTab_multi.ser -list
nmrfiles.list -sum -dx 1 -dy 1
where nmrfiles.list contains file reference to 10 .ft2 files.
........
r20507 | bugman | 2013-08-02 17:35:01 +0200 (Fri, 02 Aug 2013) | 7 lines
Fix for unit test of nmrpipe.
Progress sr #3043: (https://gna.org/support/index.php?3043) - support for
NMRPipe seriesTab format *.ser.
Troels E. Linnet provided this patch. Commit by: tlinset _aaattt_
gmail_dot_com
Signed-off-by: Edward d'Auvergne <edward _att_ nmr-relax _dott_ com>
........
r20508 | bugman | 2013-08-02 17:35:57 +0200 (Fri, 02 Aug 2013) | 7 lines
Replacing a pointer-reference structure to an empty creation of list of
lists.
Progress sr #3043: (https://gna.org/support/index.php?3043) - support for
NMRPipe seriesTab format *.ser.
Troels E. Linnet provided this patch. Commit by: tlinset _aaattt_
gmail_dot_com
Signed-off-by: Edward d'Auvergne <edward _att_ nmr-relax _dott_ com>
........
r20509 | bugman | 2013-08-02 17:55:23 +0200 (Fri, 02 Aug 2013) | 7 lines
The ID of spins in seriesTab_multi.ser was not formatted correctly to
SPARKY format.
Progress sr #3043: (https://gna.org/support/index.php?3043) - support for
NMRPipe seriesTab format *.ser.
Troels E. Linnet provided this patch. Commit by: tlinset _aaattt_
gmail_dot_com
Signed-off-by: Edward d'Auvergne <edward _att_ nmr-relax _dott_ com>
........
r20510 | bugman | 2013-08-02 20:56:54 +0200 (Fri, 02 Aug 2013) | 14 lines
Added system test for reading of a multi column formatted NMRPipe seriesTab
file.
Progress sr #3043: (https://gna.org/support/index.php?3043) - support for
NMRPipe seriesTab format *.ser.
Generated the reference data in Excell, for the system test.
The spectrum ID's are auto generated by supplying the keyword
spectrum_id='auto'.
The first few tests was matched against integers rather than floats. Adding
'.0' to the end of each number.
Spaces added after the commas in the self.assertAlmostEqual() calls.
The 2to3 conversion program (for Python 2 to Python 3 conversion)
highlights this issue.
Troels E. Linnet provided this patch. Commit by: tlinset _aaattt_
gmail_dot_com
Signed-off-by: Edward d'Auvergne <edward@xxxxxxxxxxxxx>
........
r20511 | bugman | 2013-08-02 20:58:55 +0200 (Fri, 02 Aug 2013) | 7 lines
Added check for number of supplied spectra ID's and the number of returned
intensity columns.
Progress sr #3043: (https://gna.org/support/index.php?3043) - support for
NMRPipe seriesTab format *.ser.
Troels E. Linnet provided this patch. Commit by: tlinset _aaattt_
gmail_dot_com
Signed-off-by: Edward d'Auvergne <edward@xxxxxxxxxxxxx>
........
r20512 | bugman | 2013-08-02 20:58:57 +0200 (Fri, 02 Aug 2013) | 7 lines
Made it possible to autogenerate spectrum ID's, if spectrum_id='auto'.
Progress sr #3043: (https://gna.org/support/index.php?3043) - support for
NMRPipe seriesTab format *.ser.
Troels E. Linnet provided this patch. Commit by: tlinset _aaattt_
gmail_dot_com
Signed-off-by: Edward d'Auvergne <edward@xxxxxxxxxxxxx>
........
r20513 | bugman | 2013-08-02 20:58:59 +0200 (Fri, 02 Aug 2013) | 7 lines
Remove from datalist where empty list starts. These are created where spins
are skipped for ID = '?-?'.
Progress sr #3043: (https://gna.org/support/index.php?3043) - support for
NMRPipe seriesTab format *.ser.
Troels E. Linnet provided this patch. Commit by: tlinset _aaattt_
gmail_dot_com
Signed-off-by: Edward d'Auvergne <edward@xxxxxxxxxxxxx>
........
r20514 | bugman | 2013-08-02 20:59:00 +0200 (Fri, 02 Aug 2013) | 7 lines
Moved checks for matching length of spectrum IDs and intensities columns.
Progress sr #3043: (https://gna.org/support/index.php?3043) - support for
NMRPipe seriesTab format *.ser.
Troels E. Linnet provided this patch. Commit by: tlinset _aaattt_
gmail_dot_com
Signed-off-by: Edward d'Auvergne <edward@xxxxxxxxxxxxx>
........
r20515 | bugman | 2013-08-02 20:59:02 +0200 (Fri, 02 Aug 2013) | 8 lines
Moved the adding function of adding the spectrum id (and ncproc) to the
relax data store.
Progress sr #3043: (https://gna.org/support/index.php?3043) - support for
NMRPipe seriesTab format *.ser.
Shifting it to later will prevent the cdp.spectrum_ids list to be populated
after the user calls the user function incorrectly.
Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_
gmail_dot_com
Signed-off-by: Edward d'Auvergne <edward@xxxxxxxxxxxxx>
........
r20516 | bugman | 2013-08-02 21:29:16 +0200 (Fri, 02 Aug 2013) | 3 lines
Fix for the spectrum.read_intensities user function in the GUI.
The menu string was truncated to spectrum.read.
........
r20517 | bugman | 2013-08-02 22:07:49 +0200 (Fri, 02 Aug 2013) | 7 lines
Added epydoc documentation in pipe_control\spectrum.py .read() when
supplying keyword 'auto'.
Progress sr #3043: (https://gna.org/support/index.php?3043) - support for
NMRPipe seriesTab format *.ser.
Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_
gmail_dot_com
Signed-off-by: Edward d'Auvergne <edward@xxxxxxxxxxxxx>
........
r20518 | bugman | 2013-08-02 22:07:51 +0200 (Fri, 02 Aug 2013) | 7 lines
Added GUI description for when supplying 'auto' to the spectrum_id.
Progress sr #3043: (https://gna.org/support/index.php?3043) - support for
NMRPipe seriesTab format *.ser.
Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_
gmail_dot_com
Signed-off-by: Edward d'Auvergne <edward@xxxxxxxxxxxxx>
........
r20519 | bugman | 2013-08-02 22:07:52 +0200 (Fri, 02 Aug 2013) | 7 lines
Added a stub GUI describtion in the File formats, for NMRPipe seriesTab.
Progress sr #3043: (https://gna.org/support/index.php?3043) - support for
NMRPipe seriesTab format *.ser.
Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_
gmail_dot_com
Signed-off-by: Edward d'Auvergne <edward@xxxxxxxxxxxxx>
........
r20520 | bugman | 2013-08-03 00:08:24 +0200 (Sat, 03 Aug 2013) | 8 lines
Fix for two spaces are used after a period in documentation.
Progress sr #3043: (https://gna.org/support/index.php?3043) - support for
NMRPipe seriesTab format *.ser.
relax uses the double space for easier for the eyes to pick up the sentence
structure.
Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_
gmail_dot_com
Signed-off-by: Edward d'Auvergne <edward@xxxxxxxxxxxxx>
........
r20521 | bugman | 2013-08-03 00:08:26 +0200 (Sat, 03 Aug 2013) | 8 lines
Fix for two spaces are used after a period in documentation.
Progress sr #3043: (https://gna.org/support/index.php?3043) - support for
NMRPipe seriesTab format *.ser.
relax uses the double space for easier for the eyes to pick up the sentence
structure.
Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_
gmail_dot_com
Signed-off-by: Edward d'Auvergne <edward@xxxxxxxxxxxxx>
........
r20522 | bugman | 2013-08-03 00:08:28 +0200 (Sat, 03 Aug 2013) | 8 lines
Fix for two spaces are used after a period in documentation.
Progress sr #3043: (https://gna.org/support/index.php?3043) - support for
NMRPipe seriesTab format *.ser.
relax uses the double space for easier for the eyes to pick up the sentence
structure.
Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_
gmail_dot_com
Signed-off-by: Edward d'Auvergne <edward@xxxxxxxxxxxxx>
........
Added:
branches/relax_disp/test_suite/shared_data/peak_lists/seriesTab_multi.ser
- copied unchanged from r20522,
trunk/test_suite/shared_data/peak_lists/seriesTab_multi.ser
Modified:
branches/relax_disp/ (props changed)
branches/relax_disp/lib/software/__init__.py
branches/relax_disp/lib/software/nmrpipe.py
branches/relax_disp/pipe_control/spectrum.py
branches/relax_disp/test_suite/system_tests/peak_lists.py
branches/relax_disp/user_functions/spectrum.py
[This mail would be too long, it was shortened to contain the URLs only.]
Modified: branches/relax_disp/lib/software/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/lib/software/__init__.py?rev=20523&r1=20522&r2=20523&view=diff
Modified: branches/relax_disp/lib/software/nmrpipe.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/lib/software/nmrpipe.py?rev=20523&r1=20522&r2=20523&view=diff
Modified: branches/relax_disp/pipe_control/spectrum.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/pipe_control/spectrum.py?rev=20523&r1=20522&r2=20523&view=diff
Modified: branches/relax_disp/test_suite/system_tests/peak_lists.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/peak_lists.py?rev=20523&r1=20522&r2=20523&view=diff
Modified: branches/relax_disp/user_functions/spectrum.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/user_functions/spectrum.py?rev=20523&r1=20522&r2=20523&view=diff
r20523 - in /branches/relax_disp: ./ lib/software/ pipe_control/ test_suite/shared_data/peak_lists/ test_suite/system_tests/...