http://cia.vc/stats/project/relax1141345519751607http://www.nmr-relax.comrelax is a program designed for the study of the dynamics of proteins or other macromolecules though the analysis of NMR relaxation data. It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, and the Lipari and Szabo model-free analysis.Nonerelaxhttp://www.nmr-relax.comNoneSubversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Fri, 25 May 2012 19:28:54 +0200Fri, 25 May 2012 19:28:54 +0200<E1SXyJq-0007vz-8T@subversion.gna.org>edward@nmr-relax.comrelax16469bugmanbranches/uf_redesign/test_suite/system_tests/jw_mapping.pyLoosened the checking conditions for the test_set_value() J(w) mapping system (and GUI) test.
Just like the consistenecy testing, the GUI string conversions to and from floats introduces a
slight truncation.161337982862Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Fri, 25 May 2012 19:15:11 +0200Fri, 25 May 2012 19:15:11 +0200<E1SXy6Z-0005hr-GZ@subversion.gna.org>edward@nmr-relax.comrelax16468bugmanbranches/uf_redesign/test_suite/system_tests/consistency_tests.pyThe consistency testing test_set_value() system (and GUI) test has been made less strict.
The conversion of the bond length and CSA values to GUI strings and back to floats causes a slight
numerical truncation.161337982039Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Fri, 25 May 2012 19:10:12 +0200Fri, 25 May 2012 19:10:12 +0200<E1SXy1k-00051q-Lo@subversion.gna.org>edward@nmr-relax.comrelax16467bugmanbranches/uf_redesign/test_suite/system_tests/scripts/consistency_tests_calc_test.pyFix for one of the consistency testing system test scripts.
The J(w) mapping user function was being called instead!141337981741Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Fri, 25 May 2012 19:05:50 +0200Fri, 25 May 2012 19:05:50 +0200<E1SXxxW-0004NT-TD@subversion.gna.org>edward@nmr-relax.comrelax16466bugmanbranches/uf_redesign/test_suite/system_tests/scripts/consistency_tests.pyFix for the recently changed consistency testing test suite script.141337981478Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Fri, 25 May 2012 19:02:17 +0200Fri, 25 May 2012 19:02:17 +0200<E1SXxu5-0003mZ-JK@subversion.gna.org>edward@nmr-relax.comrelax16465bugmanbranches/uf_redesign/specific_fns/consistency_tests.pybranches/uf_redesign/specific_fns/jw_mapping.pyMissing imports!261337981265Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Fri, 25 May 2012 18:52:38 +0200Fri, 25 May 2012 18:52:38 +0200<E1SXxkk-0001VZ-AF@subversion.gna.org>edward@nmr-relax.comrelax16464bugmanbranches/uf_redesign/specific_fns/api_base.pyThe specific analysis API base return_data_desc() now has a basic implementation.
This will search through the global and then spin parameters objects, returning what ever is found.421337980685Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Fri, 25 May 2012 18:34:56 +0200Fri, 25 May 2012 18:34:56 +0200<E1SXxTc-0007AJ-Uv@subversion.gna.org>edward@nmr-relax.comrelax16463bugmanbranches/uf_redesign/relax_errors.pybranches/uf_redesign/specific_fns/api_base.pyThe specific analysis API base method calls to RelaxImplementError now send in the function name.
This allows for better identification of what needs to be implemented.4421337979623Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Fri, 25 May 2012 18:24:07 +0200Fri, 25 May 2012 18:24:07 +0200<E1SXxJ9-0006Fx-PD@subversion.gna.org>edward@nmr-relax.comrelax16462bugmanbranches/uf_redesign/specific_fns/api_base.pyThe specific analysis base API default_value() method is now functional.
Rather than raising a RelaxImplementError, this method now searches in the global parameters then
the spin parameters for a default value.331337978974Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Fri, 25 May 2012 18:19:06 +0200Fri, 25 May 2012 18:19:06 +0200<E1SXxEI-0004fI-A2@subversion.gna.org>edward@nmr-relax.comrelax16461bugmanbranches/uf_redesign/test_suite/gui_tests/__init__.pybranches/uf_redesign/test_suite/gui_tests/consistency_tests.pyThis should have been part of r16460!821337978672Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Fri, 25 May 2012 18:09:53 +0200Fri, 25 May 2012 18:09:53 +0200<E1SXx5N-0003Ln-1B@subversion.gna.org>edward@nmr-relax.comrelax16460bugmanbranches/uf_redesign/test_suite/system_tests/consistency_tests.pybranches/uf_redesign/test_suite/system_tests/scripts/consistency_tests_calc_test.pybranches/uf_redesign/test_suite/system_tests/scripts/consistency_tests_set_value.pyThis matches the J(w) mapping changes of r16458.1431337978119Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Fri, 25 May 2012 18:09:08 +0200Fri, 25 May 2012 18:09:08 +0200<E1SXx4e-0003IN-G7@subversion.gna.org>edward@nmr-relax.comrelax16459bugmanbranches/uf_redesign/test_suite/system_tests/jw_mapping.pyRemoved a debugging print out.221337978078Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Fri, 25 May 2012 18:02:26 +0200Fri, 25 May 2012 18:02:26 +0200<E1SXwyA-0002UX-56@subversion.gna.org>edward@nmr-relax.comrelax16458bugmanbranches/uf_redesign/test_suite/system_tests/jw_mapping.pybranches/uf_redesign/test_suite/system_tests/scripts/jw_mapping_calc_test.pybranches/uf_redesign/test_suite/system_tests/scripts/jw_mapping_set_value.pyShifted out the interpreter components of the J(w) mapping tests into scripts.
This allows the tests to work in the GUI test framework.1301337977672Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Fri, 25 May 2012 18:01:08 +0200Fri, 25 May 2012 18:01:08 +0200<E1SXwwu-0002SH-91@subversion.gna.org>edward@nmr-relax.comrelax16457bugmanbranches/uf_redesign/test_suite/system_tests/scripts/consistency_tests.pyConverted the consistency tests script to the new _execute_uf() design.
This allows it to work with the GUI for the GUI tests.751337977594Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Fri, 25 May 2012 16:06:31 +0200Fri, 25 May 2012 16:06:31 +0200<E1SXv9z-0001Ep-Ef@subversion.gna.org>edward@nmr-relax.comrelax16456bugmanbranches/uf_redesign/gui/uf_objects.pyFix for the recycling of user function wizards for when a wizard fails.
In certain cases (relax bugs), the creation of the user function wizard will fail half way through.
The next time the user function is called, the half made page will be called and an error will
occur. This occurs in often in the test suite, resulting in many normally passing tests failing
after an earlier test fails.141337970715Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Fri, 25 May 2012 11:56:08 +0200Fri, 25 May 2012 11:56:08 +0200<E1SXrFg-0002Ot-L0@subversion.gna.org>edward@nmr-relax.comrelax16455bugmanbranches/uf_redesign/branches/uf_redesign/generic_fns/structure/main.pybranches/uf_redesign/relax_errors.pybranches/uf_redesign/specific_fns/model_free/mf_minimise.pyMerged revisions 16451-16454 via svnmerge from
svn+ssh://bugman@svn.gna.org/svn/relax/1.3
........
r16451 | bugman | 2012-05-25 09:23:58 +0200 (Fri, 25 May 2012) | 9 lines
Made the bond vector extraction print out from structure.vectors more informative.
This is in response to James Nyirenda's <jamesn7414 att yahoo dott com> post at
https://mail.gna.org/public/relax-users/2012-05/msg00023.html (Message-id:
<1337916876.99384.YahooMailNeo@web31805.mail.mud.yahoo.com>).
The number of vectors extracted is now being printed out.
........
r16452 | bugman | 2012-05-25 09:32:17 +0200 (Fri, 25 May 2012) | 3 lines
A small change for the structure.vectors print out.
........
r16453 | bugman | 2012-05-25 09:47:49 +0200 (Fri, 25 May 2012) | 10 lines
The model-free minimisation is now checking for multiple vectors per spin, and raises a RelaxError.
This is in response to James Nyirenda's <jamesn7414 att yahoo dott com> post at
https://mail.gna.org/public/relax-users/2012-05/msg00023.html (Message-id:
<1337916876.99384.YahooMailNeo@web31805.mail.mud.yahoo.com>).
The RelaxMultiVectorError has been modified to accept a spin ID. This error is now raised if
multiple vectors exist per spin, as model-free analysis cannot handle this.
........
r16454 | bugman | 2012-05-25 11:30:38 +0200 (Fri, 25 May 2012) | 7 lines
Fix for a bug introduced at r16453.
The structure.vectors user function will now store single vectors as a 3D, rank-1 array. In some
cases this was being stored as a list of 3D, rank-1 arrays which was then failing in with the
RelaxMultipleVectorError in the model-free code.
........811337955686Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Fri, 25 May 2012 11:30:39 +0200Fri, 25 May 2012 11:30:39 +0200<E1SXqr1-0007Pn-1a@subversion.gna.org>edward@nmr-relax.comrelax16454bugman1.3/generic_fns/structure/main.pyFix for a bug introduced at r16453.
The structure.vectors user function will now store single vectors as a 3D, rank-1 array. In some
cases this was being stored as a list of 3D, rank-1 arrays which was then failing in with the
RelaxMultipleVectorError in the model-free code.161337954161Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Fri, 25 May 2012 09:47:49 +0200Fri, 25 May 2012 09:47:49 +0200<E1SXpFV-0007CB-QB@subversion.gna.org>edward@nmr-relax.comrelax16453bugman1.3/relax_errors.py1.3/specific_fns/model_free/mf_minimise.pyThe model-free minimisation is now checking for multiple vectors per spin, and raises a RelaxError.
This is in response to James Nyirenda's <jamesn7414 att yahoo dott com> post at
https://mail.gna.org/public/relax-users/2012-05/msg00023.html (Message-id:
<1337916876.99384.YahooMailNeo@web31805.mail.mud.yahoo.com>).
The RelaxMultiVectorError has been modified to accept a spin ID. This error is now raised if
multiple vectors exist per spin, as model-free analysis cannot handle this.391337947984Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Fri, 25 May 2012 09:32:17 +0200Fri, 25 May 2012 09:32:17 +0200<E1SXp0T-0004mv-RN@subversion.gna.org>edward@nmr-relax.comrelax16452bugman1.3/generic_fns/structure/main.pyA small change for the structure.vectors print out.171337947054Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Fri, 25 May 2012 09:23:59 +0200Fri, 25 May 2012 09:23:59 +0200<E1SXosR-0003vk-CS@subversion.gna.org>edward@nmr-relax.comrelax16451bugman1.3/generic_fns/structure/main.pyMade the bond vector extraction print out from structure.vectors more informative.
This is in response to James Nyirenda's <jamesn7414 att yahoo dott com> post at
https://mail.gna.org/public/relax-users/2012-05/msg00023.html (Message-id:
<1337916876.99384.YahooMailNeo@web31805.mail.mud.yahoo.com>).
The number of vectors extracted is now being printed out.241337946559Subversion CIA Bot client shell script1.1from gna.org (petzi.bearstech.com [78.40.125.75])
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for cia@cia.navi.cx; Thu, 24 May 2012 18:07:52 +0200Thu, 24 May 2012 18:07:52 +0200<E1SXaZs-0007s2-8K@subversion.gna.org>edward@nmr-relax.comrelax16450bugmanbranches/uf_redesign/test_suite/gui_tests/__init__.pybranches/uf_redesign/test_suite/gui_tests/jw_mapping.pybranches/uf_redesign/test_suite/system_tests/jw_mapping.pybranches/uf_redesign/test_suite/system_tests/scripts/jw_mapping.pyThe jw_mapping system tests are now run as GUI tests.1701337891564