Difference between revisions of "Relax 1.2.5"
Jump to navigation
Jump to search
m (Line breaks.) |
|||
| (12 intermediate revisions by the same user not shown) | |||
| Line 1: | Line 1: | ||
{{lowercase title}} | {{lowercase title}} | ||
| − | = Description = | + | {{infobox relax release |
| + | | version = 1.2.5 | ||
| + | | prev = 1.2.4 | ||
| + | | next = 1.2.6 | ||
| + | | keywords = Model-free analysis | ||
| + | | type = Bugfix | ||
| + | | date = 20 July 2006 | ||
| + | | manual = yes | ||
| + | }} | ||
| + | |||
| + | == Description == | ||
<section begin=description/> | <section begin=description/> | ||
| − | This is mainly a bugfix release. A large number of bugs have been eliminated including [https://gna.org/bugs/?5977 bug #5977], [https://gna.org/bugs/?6288 bug #6288], [https://gna.org/bugs/?6383 bug #6383], [https://gna.org/bugs/?5806 bug #5806], [https://gna.org/bugs/?6384 bug #6384], [https://gna.org/bugs/?6388 bug #6388], [https://gna.org/bugs/?6389 bug #6389], and [https://gna.org/bugs/?5746 bug #5746]. These are described in more detail below. To fix a few of these bugs large disruptive changes were required. This included the change of the local | + | This is mainly a bugfix release. A large number of bugs have been eliminated including [https://gna.org/bugs/?5977 bug #5977], [https://gna.org/bugs/?6288 bug #6288], [https://gna.org/bugs/?6383 bug #6383], [https://gna.org/bugs/?5806 bug #5806], [https://gna.org/bugs/?6384 bug #6384], [https://gna.org/bugs/?6388 bug #6388], [https://gna.org/bugs/?6389 bug #6389], and [https://gna.org/bugs/?5746 bug #5746]. These are described in more detail below. To fix a few of these bugs large disruptive changes were required. This included the change of the local τ<sub>m</sub> parameter name from 'tm' to 'local_tm' and the simplification of the [http://www.nmr-relax.com/api/1.2/specific_fns.model_free.Model_free-class.html#model_statistics model-free model_statistics() function] and modification of the [http://www.nmr-relax.com/api/1.2/specific_fns.model_free.Model_free-class.html model-free calculate() function]. Therefore regressions and new bugs may appear in this release, most likely when the local τ<sub>m</sub> parameter is encountered or during model selection. |
<section end=description/> | <section end=description/> | ||
| − | = Download = | + | == Download == |
<section begin=download/> | <section begin=download/> | ||
| Line 13: | Line 23: | ||
<section end=download/> | <section end=download/> | ||
| − | = CHANGES file = | + | == CHANGES file == |
<section begin=metadata/> | <section begin=metadata/> | ||
| Line 21: | Line 31: | ||
<section end=metadata/> | <section end=metadata/> | ||
| − | == Features == | + | === Features === |
<section begin=features/> | <section begin=features/> | ||
| − | * The data analysis chapter has been split into four: The NOE, relaxation curve-fitting, model-free, and reduced spectral density mapping chapters. | + | * The data analysis chapter has been split into four: [http://www.nmr-relax.com/manual/Calculating_NOE.html The NOE], [http://www.nmr-relax.com/manual/Relaxation_curve_fitting.html relaxation curve-fitting], [http://www.nmr-relax.com/manual/Model_free_analysis.html model-free], and [http://www.nmr-relax.com/manual/Reduced_spectral_density_mapping.html reduced spectral density mapping] chapters. |
| − | * A section called the | + | * A section called the [http://www.nmr-relax.com/manual/core_design_relax.html The core design of relax] has been added to the [http://www.nmr-relax.com/manual/relax_development.html development chapter of the manual]. |
| − | * The | + | * The [http://www.nmr-relax.com/manual/Optimisation_relaxation_data_values_gradients_Hessians.html Values, gradients, and Hessians chapter of the manual] is now complete. These are all the equations used during optimisation. |
| − | * The Hessian kite diagram and the gradient construction diagram have been added to the | + | * The [http://www.nmr-relax.com/manual/Construction_Hessian.html Hessian kite diagram] and the [http://www.nmr-relax.com/manual/Construction_gradient.html gradient construction diagram] have been added to the [http://www.nmr-relax.com/manual/Optimisation_relaxation_data_values_gradients_Hessians.html Values, gradients, and Hessians chapter of the manual]. |
<section end=features/> | <section end=features/> | ||
| − | == Changes == | + | === Changes === |
<section begin=changes/> | <section begin=changes/> | ||
| Line 36: | Line 46: | ||
* All chapters of the manual have been edited and proofed. | * All chapters of the manual have been edited and proofed. | ||
* The Sparky and XEasy peak intensity reading functions have been split to allow the easy addition of new peak intensity file types. | * The Sparky and XEasy peak intensity reading functions have been split to allow the easy addition of new peak intensity file types. | ||
| − | * Test of AIC model selection between diffusion tensors added to the test suite. (To catch [https://gna.org/bugs/? bug #5746]) | + | * Test of AIC model selection between diffusion tensors added to the test suite. (To catch [https://gna.org/bugs/?5746 bug #5746]) |
| − | * Changing of the local | + | * Changing of the local τ<sub>m</sub> parameter name of 'tm' to 'local_tm' to distinguish it from the global tumbling time 'tm'. (Preparation for fixing [https://gna.org/bugs/?6384 bug #6384]) |
<section end=changes/> | <section end=changes/> | ||
| − | == Bugfixes == | + | === Bugfixes === |
<section begin=bugfixes/> | <section begin=bugfixes/> | ||
| − | * Fix of bug where self.relax.data.select_sim was treated as a list. ([https://gna.org/bugs/? bug #5977]) | + | * Fix of bug where self.relax.data.select_sim was treated as a list. ([https://gna.org/bugs/?5977 bug #5977]) |
| − | * The value.copy | + | * The [http://www.nmr-relax.com/manual/value_copy.html value.copy function] now handles the value of None. ([https://gna.org/bugs/?6288 bug #6288]) |
| − | * The global flag is now set by the relax_data.delete | + | * The global flag is now set by the [http://www.nmr-relax.com/manual/relax_data_delete.html relax_data.delete function]. ([https://gna.org/bugs/?6383 bug #6383]) |
| − | * The model-free model_statistics() function now tests for the presence of relaxation data. ([https://gna.org/bugs/? bug #5806]) | + | * The [http://www.nmr-relax.com/api/1.2/specific_fns.model_free.Model_free-class.html#model_statistics model-free model_statistics() function] now tests for the presence of relaxation data. ([https://gna.org/bugs/?5806 bug #5806]) |
| − | * Sorting of global from local parameters in | + | * Sorting of global from local parameters in [http://www.nmr-relax.com/api/1.2/generic_fns.value-module.html generic_fns/value.py] simplified and fixed by changing the parameter name 'tm' to 'local_tm'. ([https://gna.org/bugs/?6384 bug #6384]) |
| − | * Model-free parameters now set in the OpenDX mapping test of the test-suite. ([https://gna.org/bugs/? bug #6388]) | + | * Model-free parameters now set in the OpenDX mapping test of the test-suite. ([https://gna.org/bugs/?6388 bug #6388]) |
| − | * Failure of model elimination because of a 'local_tm' and 'tm' mix up. ([https://gna.org/bugs/? bug #6389]) | + | * Failure of model elimination because of a 'local_tm' and 'tm' mix up. ([https://gna.org/bugs/?6389 bug #6389]) |
| − | * Modification of the model-free calculate() function and elimination of the 'combined' flag from the self.model_statistics() function. ([https://gna.org/bugs/? bug #5746]) | + | * Modification of the [http://www.nmr-relax.com/api/1.2/specific_fns.model_free.Model_free-class.html model-free calculate() function] and elimination of the 'combined' flag from the [http://www.nmr-relax.com/api/1.2/specific_fns.model_free.Model_free-class.html#model_statistics self.model_statistics() function]. ([https://gna.org/bugs/?5746 bug #5746]) |
<section end=bugfixes/> | <section end=bugfixes/> | ||
| − | = Announcements = | + | == Links == |
| + | |||
| + | <section begin=links/> | ||
| + | For reference, the following links are also part of the announcement for this release: | ||
| + | * [http://wiki.nmr-relax.com/Relax_1.2.5 Official release notes] | ||
| + | * {{gna link|url=gna.org/forum/forum.php?forum_id=1253|text=Gna! news item}} | ||
| + | * [http://article.gmane.org/gmane.science.nmr.relax.announce/10 Gmane] | ||
| + | * [http://www.mail-archive.com/relax-announce%40gna.org/msg00002.html Mail archive] | ||
| + | * [https://mail.gna.org/public/relax-announce/2006-07/msg00001.html Local archives] | ||
| + | * [http://marc.info/?l=relax-announce&m=135070664524993&w=2 MARC] | ||
| + | <section end=links/> | ||
| + | |||
| + | == Announcements == | ||
{{:relax release announcements}} | {{:relax release announcements}} | ||
| − | = See also = | + | == See also == |
| + | * [http://www.nmr-relax.com/api/1.2/ The relax 1.2 API documentation] | ||
{{:relax release see also}} | {{:relax release see also}} | ||
| − | [[Category:Model-free]] | + | [[Category:Model-free analysis]] |
Latest revision as of 21:54, 8 October 2020
 | |||||
| relax version 1.2.5 | |||||
| |||||
| Keywords | Model-free analysis | ||||
|---|---|---|---|---|---|
| Release type | Bugfix | ||||
| Release date | 20 July 2006 | ||||
|
| |||||
 The relax 1.2.5 user manual | |||||
Contents
Description
This is mainly a bugfix release. A large number of bugs have been eliminated including bug #5977, bug #6288, bug #6383, bug #5806, bug #6384, bug #6388, bug #6389, and bug #5746. These are described in more detail below. To fix a few of these bugs large disruptive changes were required. This included the change of the local τm parameter name from 'tm' to 'local_tm' and the simplification of the model-free model_statistics() function and modification of the model-free calculate() function. Therefore regressions and new bugs may appear in this release, most likely when the local τm parameter is encountered or during model selection.
Download
The new relax versions can be downloaded from http://www.nmr-relax.com/download.html. If binary distributions are not yet available for your platform and you manage to compile the binary modules, please consider contributing these to the relax project (described in section 3.6 of the relax manual, http://www.nmr-relax.com/manual/relax_distribution_archives.html).
CHANGES file
Version 1.2.5
(20 July 2006, from /1.2)
http://svn.gna.org/svn/relax/tags/1.2.5
Features
- The data analysis chapter has been split into four: The NOE, relaxation curve-fitting, model-free, and reduced spectral density mapping chapters.
- A section called the The core design of relax has been added to the development chapter of the manual.
- The Values, gradients, and Hessians chapter of the manual is now complete. These are all the equations used during optimisation.
- The Hessian kite diagram and the gradient construction diagram have been added to the Values, gradients, and Hessians chapter of the manual.
Changes
- The distribution archives now unpack to the directory 'relax-x.x.x' rather than just 'relax', where x.x.x is the version number.
- All chapters of the manual have been edited and proofed.
- The Sparky and XEasy peak intensity reading functions have been split to allow the easy addition of new peak intensity file types.
- Test of AIC model selection between diffusion tensors added to the test suite. (To catch bug #5746)
- Changing of the local τm parameter name of 'tm' to 'local_tm' to distinguish it from the global tumbling time 'tm'. (Preparation for fixing bug #6384)
Bugfixes
- Fix of bug where self.relax.data.select_sim was treated as a list. (bug #5977)
- The value.copy function now handles the value of None. (bug #6288)
- The global flag is now set by the relax_data.delete function. (bug #6383)
- The model-free model_statistics() function now tests for the presence of relaxation data. (bug #5806)
- Sorting of global from local parameters in generic_fns/value.py simplified and fixed by changing the parameter name 'tm' to 'local_tm'. (bug #6384)
- Model-free parameters now set in the OpenDX mapping test of the test-suite. (bug #6388)
- Failure of model elimination because of a 'local_tm' and 'tm' mix up. (bug #6389)
- Modification of the model-free calculate() function and elimination of the 'combined' flag from the self.model_statistics() function. (bug #5746)
Links
For reference, the following links are also part of the announcement for this release:
Announcements
If you would like to receive announcements about new relax versions, please subscribe to the relax announcement mailing list. This list only receives ~10 emails per year. It is archived at the SourceForge archives and in The Mail Archive.
See also
- The combined release notes for all relax versions (warning, this is very large).
- The combined release descriptions for all relax versions.
- The combined release metadata for all relax versions.
- The combined release features for all relax versions.
- The combined release changes for all relax versions (warning, this is very large).
- The combined release bugfixes for all relax versions.
- The combined release announcement links for all relax versions.
