Author: bugman Date: Tue Jun 29 23:44:28 2010 New Revision: 11268 URL: http://svn.gna.org/viewcvs/relax?rev=11268&view=rev Log: Merged revisions 9871-9875,9891-9986,9998-10032,10038-10041,10047-10084,10086-10091,10094-10102,10108-10110,10117,10157,10178-10188,10197,10204-10205,10240,10242-10245,10267,10296-10302,10304-10326,10330,10404,10431-10435,10443,10450,10461-10462,10611-10612,10626-10631,10645,10652,10668-10671,10674,10676,10680,10684,10688-10689,10691,10694,10699,10703-10704,10708-10754,10766-10789,10794-10829,10838,10841-10842,10845-10860,10862,10865,10878-10879,10881-10884,10937-10958,10961-10990,10999-11002,11004-11050,11053-11059,11070-11071,11085,11087-11099,11144-11175,11185-11189,11206-11210,11223-11224,11230-11233,11236,11240,11243-11246,11248-11263 via svnmerge from svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3 ........ r9871 | semor | 2009-11-18 15:20:42 +0100 (Wed, 18 Nov 2009) | 6 lines Added references to the consistency tests code. In particular, the reference for this newly published paper was added: Morin & Gagne (2009) JBNMR, 45: 361-372. ........ r9872 | semor | 2009-11-18 16:58:50 +0100 (Wed, 18 Nov 2009) | 7 lines Added references and instructions in the sample script for consistency testing. This is as proposed by Edward in a post at: https://mail.gna.org/public/relax-devel/2009-11/msg00034.html (Message-id: <7f080ed10911180653w6b59b40dn1e8f715d9b718fd5@xxxxxxxxxxxxxx>) ........ r9873 | semor | 2009-11-18 17:58:39 +0100 (Wed, 18 Nov 2009) | 5 lines Added DOI links to the citations and corrected a fused f and i character. This was proposed by Edward. ........ r9874 | semor | 2009-11-18 18:29:02 +0100 (Wed, 18 Nov 2009) | 3 lines Corrected other strange characters causing failures... ........ r9875 | bugman | 2009-11-19 10:37:23 +0100 (Thu, 19 Nov 2009) | 3 lines Converted the 'Branches' subsection of the development chapter into a proper section. ........ r9891 | bugman | 2009-11-24 09:24:48 +0100 (Tue, 24 Nov 2009) | 3 lines Fixes for the dx.map() user function interface. ........ r9892 | bugman | 2009-11-24 10:05:30 +0100 (Tue, 24 Nov 2009) | 10 lines Added the methods necessary for the dx.map() user function. These include: __assemble_param_vector() map_bounds() model_statistics() return_data_name() return_units() ........ r9893 | bugman | 2009-11-24 10:17:37 +0100 (Tue, 24 Nov 2009) | 5 lines Fix for the base class return_conversion_factor() method. The spin_id arg is now accepted. ........ r9894 | bugman | 2009-11-24 10:32:01 +0100 (Tue, 24 Nov 2009) | 6 lines Created unit tests for the specific_fns API. This checks the consistency of methods across the API, using method names and arg checks. Only the frame order theories are currently checked. ........ r9895 | bugman | 2009-11-24 10:46:05 +0100 (Tue, 24 Nov 2009) | 3 lines Renamed specific_fns.base_class.Common_functions to specific_fns.api_base.API_base. ........ r9896 | bugman | 2009-11-24 10:55:57 +0100 (Tue, 24 Nov 2009) | 3 lines The entirety of the specific_fns API is now checked. ........ r9897 | bugman | 2009-11-24 10:57:13 +0100 (Tue, 24 Nov 2009) | 3 lines Updated for the __all__ list for the base_class to api_base rename. ........ r9898 | bugman | 2009-11-24 11:07:36 +0100 (Tue, 24 Nov 2009) | 3 lines Alphabetical ordering of the functions. ........ r9899 | bugman | 2009-11-24 11:14:08 +0100 (Tue, 24 Nov 2009) | 3 lines Removed the back_calc() method from the specific analysis API. ........ r9900 | bugman | 2009-11-24 11:20:24 +0100 (Tue, 24 Nov 2009) | 3 lines Removed the copy() method from the specific analysis API. ........ r9901 | bugman | 2009-11-24 11:21:53 +0100 (Tue, 24 Nov 2009) | 3 lines Added a prototype calculate() method to the API. ........ r9902 | bugman | 2009-11-24 11:42:53 +0100 (Tue, 24 Nov 2009) | 3 lines Removed assemble_param_vector() and disassemble_param_vector() from the specific analysis API. ........ r9903 | bugman | 2009-11-24 11:45:10 +0100 (Tue, 24 Nov 2009) | 3 lines Removed assemble_scaling_matrix() from the specific analysis API. ........ r9904 | bugman | 2009-11-24 11:52:38 +0100 (Tue, 24 Nov 2009) | 3 lines Removed back_calc() from the specific analysis API. ........ r9905 | bugman | 2009-11-24 11:53:20 +0100 (Tue, 24 Nov 2009) | 3 lines Completed removal of back_calc() from the specific analysis API. ........ r9906 | bugman | 2009-11-24 11:56:47 +0100 (Tue, 24 Nov 2009) | 3 lines Added create_mc_data() to the specific analysis API. ........ r9907 | bugman | 2009-11-24 12:18:58 +0100 (Tue, 24 Nov 2009) | 5 lines Added data_names() to the specific analysis API. General docstring clean ups as well. ........ r9908 | bugman | 2009-11-24 12:39:49 +0100 (Tue, 24 Nov 2009) | 3 lines Fix for the unit test for the N-state model _assemble_param_vector() method. ........ r9909 | bugman | 2009-11-24 12:40:39 +0100 (Tue, 24 Nov 2009) | 3 lines Fix for the unit test for the N-state model _disassemble_param_vector() method. ........ r9910 | bugman | 2009-11-24 12:56:22 +0100 (Tue, 24 Nov 2009) | 15 lines A large number of method and documentation variables to the specific analysis API. These include: default_value_doc default_value() grid_search() minimise() return_data_name_doc return_data_name() return_grace_string() return_units() set_doc sim_pack_data() ........ r9911 | bugman | 2009-11-24 12:58:24 +0100 (Tue, 24 Nov 2009) | 10 lines Converted a number of methods to being private, removing them from the API. These include: _grid_search_setup() _linear_constraints() _model_setup() _relax_time() _select_model() ........ r9912 | bugman | 2009-11-24 12:59:22 +0100 (Tue, 24 Nov 2009) | 3 lines Converted the _select_model() method to be private, removing it from the API. ........ r9913 | bugman | 2009-11-24 13:05:29 +0100 (Tue, 24 Nov 2009) | 5 lines Clean up of the create_mc_data() API method across the board. The spin_id keyword is now accepted by all, and is a keyword. ........ r9914 | bugman | 2009-11-24 13:21:18 +0100 (Tue, 24 Nov 2009) | 3 lines Docstring update to return_grace_string(). ........ r9915 | bugman | 2009-11-24 13:22:09 +0100 (Tue, 24 Nov 2009) | 5 lines Fixes for the relaxation curve fitting API. The fixes are for the return_data_name(), return_grace_string(), and return_units() methods. ........ r9916 | bugman | 2009-11-24 13:25:52 +0100 (Tue, 24 Nov 2009) | 3 lines Alphabetical ordering of methods, and separation of the private from the API methods. ........ r9917 | bugman | 2009-11-24 13:47:33 +0100 (Tue, 24 Nov 2009) | 3 lines Docstring and default arg changes. ........ r9918 | bugman | 2009-11-24 13:47:58 +0100 (Tue, 24 Nov 2009) | 3 lines Removed duplicated epydoc tags. ........ r9919 | bugman | 2009-11-24 13:48:37 +0100 (Tue, 24 Nov 2009) | 3 lines Clean up of the entire NOE API. ........ r9920 | bugman | 2009-11-24 13:49:42 +0100 (Tue, 24 Nov 2009) | 3 lines Alphabetical ordering of methods, and separation of the private from the API methods. ........ r9921 | bugman | 2009-11-24 14:04:23 +0100 (Tue, 24 Nov 2009) | 5 lines Removed the check of the default values from the specific analysis API arg checks. The defaults keyword values can be set to anything by the specific code! ........ r9922 | bugman | 2009-11-24 14:52:52 +0100 (Tue, 24 Nov 2009) | 3 lines Fixes for the string printout creation in the __check_method_args() method. ........ r9923 | bugman | 2009-11-24 15:04:25 +0100 (Tue, 24 Nov 2009) | 5 lines Removed the unused _read() method. This has been superseded by the spectrum.read_intensities() user function. ........ r9924 | bugman | 2009-11-24 15:26:08 +0100 (Tue, 24 Nov 2009) | 3 lines Added model_statistics() to the specific analysis API. ........ r9925 | bugman | 2009-11-24 15:30:49 +0100 (Tue, 24 Nov 2009) | 3 lines Clean up of the entire N-state model specific API. ........ r9926 | bugman | 2009-11-24 15:32:47 +0100 (Tue, 24 Nov 2009) | 3 lines Converted all self.__*() private methods to self._*() non-API methods. ........ r9927 | bugman | 2009-11-24 15:40:14 +0100 (Tue, 24 Nov 2009) | 3 lines Alphabetical ordering of methods, and separation of the private from the API methods. ........ r9928 | bugman | 2009-11-24 15:50:02 +0100 (Tue, 24 Nov 2009) | 3 lines Added duplicate_data() to the specific analysis API. ........ r9929 | bugman | 2009-11-24 16:46:59 +0100 (Tue, 24 Nov 2009) | 3 lines Removed some unused methods from the API. ........ r9930 | bugman | 2009-11-24 16:48:38 +0100 (Tue, 24 Nov 2009) | 17 lines Added a number of methods to the specific analysis API. These include: deselect() get_param_names() get_param_values() map_bounds() model_desc() model_type() molmol_macro() read_columnar_results() return_data_desc() skip_function() The API base class should now be complete. ........ r9931 | bugman | 2009-11-24 16:59:08 +0100 (Tue, 24 Nov 2009) | 3 lines Clean up of the entire model-free analysis specific API. ........ r9932 | bugman | 2009-11-24 17:05:36 +0100 (Tue, 24 Nov 2009) | 3 lines Converted all the model-free results methods from private to non-API. ........ r9933 | bugman | 2009-11-24 17:08:00 +0100 (Tue, 24 Nov 2009) | 3 lines Added an empty eliminate_doc variable to the specific analysis API. ........ r9934 | bugman | 2009-11-24 17:51:20 +0100 (Tue, 24 Nov 2009) | 5 lines More fixes for the __format_method() method. The methods with args and keywords are now properly formatted! ........ r9935 | bugman | 2009-11-24 18:02:38 +0100 (Tue, 24 Nov 2009) | 3 lines Fixes for the eliminate() and model_statistics() API prototype methods. ........ r9936 | bugman | 2009-11-24 18:03:08 +0100 (Tue, 24 Nov 2009) | 3 lines Fix for the N-state model model_statistics() API method. ........ r9937 | bugman | 2009-11-24 18:05:40 +0100 (Tue, 24 Nov 2009) | 3 lines Update for the return_conversion_factor() API prototype method. ........ r9938 | bugman | 2009-11-24 18:15:06 +0100 (Tue, 24 Nov 2009) | 3 lines Shifted many of the model-free specific methods out of the API. ........ r9939 | bugman | 2009-11-24 18:35:49 +0100 (Tue, 24 Nov 2009) | 3 lines Converted the specific analysis base API to use the model_info arg, returned from model_loop(). ........ r9940 | bugman | 2009-11-24 18:39:15 +0100 (Tue, 24 Nov 2009) | 3 lines Updated the N-state model model_statistics() method to the model_info arg. ........ r9941 | bugman | 2009-11-24 18:40:39 +0100 (Tue, 24 Nov 2009) | 3 lines Fixes for the model-free unit tests. The model_index arg is now called model_info. ........ r9942 | bugman | 2009-11-24 18:41:28 +0100 (Tue, 24 Nov 2009) | 3 lines Converted many of the model-free methods to use model_info rather than model_index. ........ r9943 | bugman | 2009-11-24 19:08:56 +0100 (Tue, 24 Nov 2009) | 3 lines Fix for the specific analysis base API set_selected_sim() method. ........ r9944 | bugman | 2009-11-24 19:18:23 +0100 (Tue, 24 Nov 2009) | 5 lines Fix for the analysis specific base API sim_return_selected() method. The model_info arg is now being used. ........ r9945 | bugman | 2009-11-24 19:26:08 +0100 (Tue, 24 Nov 2009) | 3 lines Converted the private __compare_objects() method to the non-API _compare_objects() method. ........ r9946 | bugman | 2009-11-24 19:30:09 +0100 (Tue, 24 Nov 2009) | 3 lines Alphabetical ordering of model-free methods, and separation of the private from the API methods. ........ r9947 | bugman | 2009-11-24 19:58:18 +0100 (Tue, 24 Nov 2009) | 3 lines A number of fixes for the model-free analysis specific API methods. ........ r9948 | bugman | 2009-11-24 19:58:49 +0100 (Tue, 24 Nov 2009) | 3 lines Changes to the args for the base API data_init() method. ........ r9949 | bugman | 2009-11-24 19:59:32 +0100 (Tue, 24 Nov 2009) | 3 lines Updates to the methods of the reduced spectral density mapping API. ........ r9950 | bugman | 2009-11-25 09:05:00 +0100 (Wed, 25 Nov 2009) | 3 lines Updated the data_init() method for API consistency. ........ r9951 | bugman | 2009-11-25 09:15:40 +0100 (Wed, 25 Nov 2009) | 3 lines Converted many of the J(w) mapping methods to use the model_info arg rather than spin. ........ r9952 | bugman | 2009-11-25 09:19:52 +0100 (Wed, 25 Nov 2009) | 3 lines Docstring updates for returned values. ........ r9953 | bugman | 2009-11-25 09:21:38 +0100 (Wed, 25 Nov 2009) | 3 lines Alphabetical ordering of J(w) mapping methods, and separation of the private from the API methods. ........ r9954 | bugman | 2009-11-25 09:26:19 +0100 (Wed, 25 Nov 2009) | 3 lines Docstring fix. ........ r9955 | bugman | 2009-11-25 09:31:52 +0100 (Wed, 25 Nov 2009) | 3 lines Updated the hybrid analysis API to match the base API. ........ r9956 | bugman | 2009-11-25 09:38:44 +0100 (Wed, 25 Nov 2009) | 3 lines Separation of the private and API methods in the hybrid specific analysis. ........ r9957 | bugman | 2009-11-25 09:39:48 +0100 (Wed, 25 Nov 2009) | 3 lines Converted the frame order private methods into non-API methods. ........ r9958 | bugman | 2009-11-25 09:44:55 +0100 (Wed, 25 Nov 2009) | 3 lines Separation of all the non-API frame order specific methods. ........ r9959 | bugman | 2009-11-25 09:46:39 +0100 (Wed, 25 Nov 2009) | 3 lines Epydoc docstring fix. ........ r9960 | bugman | 2009-11-25 09:56:56 +0100 (Wed, 25 Nov 2009) | 3 lines Updated all the frame order specific analysis API methods to match the base API. ........ r9961 | bugman | 2009-11-25 10:02:26 +0100 (Wed, 25 Nov 2009) | 3 lines Fixes for the frame order user functions. ........ r9962 | bugman | 2009-11-25 10:02:55 +0100 (Wed, 25 Nov 2009) | 3 lines Removal of set_frq() from the consistency testing analysis specific API. ........ r9963 | bugman | 2009-11-25 10:07:09 +0100 (Wed, 25 Nov 2009) | 3 lines Docstring fixes. ........ r9964 | bugman | 2009-11-25 10:17:49 +0100 (Wed, 25 Nov 2009) | 3 lines More docstring updates. ........ r9965 | bugman | 2009-11-25 10:18:38 +0100 (Wed, 25 Nov 2009) | 3 lines Updated all the consistency testing analysis specific API methods to match the base API. ........ r9966 | bugman | 2009-11-25 10:43:32 +0100 (Wed, 25 Nov 2009) | 3 lines Fix for the consistency testing return_units() method for the arg name changes. ........ r9967 | bugman | 2009-11-25 10:57:19 +0100 (Wed, 25 Nov 2009) | 3 lines Epydoc docstring fix. ........ r9968 | bugman | 2009-11-25 10:59:05 +0100 (Wed, 25 Nov 2009) | 3 lines Epydoc docstring fix and reformatting of generic_fns.pcs.read(). ........ r9969 | bugman | 2009-11-25 12:55:17 +0100 (Wed, 25 Nov 2009) | 5 lines Decreased the user function docstring size in the relax manual. This was changed from normal size to \scriptsize to decrease the number of pages in the manual. ........ r9970 | bugman | 2009-11-25 13:06:03 +0100 (Wed, 25 Nov 2009) | 5 lines The user function descriptions in the relax manual are now in columns. This shrinks the manual even further. ........ r9971 | bugman | 2009-11-25 13:11:52 +0100 (Wed, 25 Nov 2009) | 5 lines Removed the \newpage command from the user function descriptions. This cuts the manual size by over 100 pages!!! ........ r9972 | bugman | 2009-11-25 13:18:28 +0100 (Wed, 25 Nov 2009) | 3 lines Added '()' to the end of the user functions in the relax manual. ........ r9973 | bugman | 2009-11-25 15:41:03 +0100 (Wed, 25 Nov 2009) | 3 lines Turned all tables from the user functions in the relax manual into floating tables. ........ r9974 | bugman | 2009-11-25 15:46:58 +0100 (Wed, 25 Nov 2009) | 5 lines Clean up of the minimisation docstring. This no longer causes problems in the relax manual. ........ r9975 | bugman | 2009-11-25 15:54:01 +0100 (Wed, 25 Nov 2009) | 3 lines Switched from the multicols package to just using \twocolumn and \onecolumn. ........ r9976 | bugman | 2009-11-25 15:54:36 +0100 (Wed, 25 Nov 2009) | 3 lines Fixes for the align_tensor.svd() docstring for the relax manual. ........ r9977 | bugman | 2009-11-25 16:52:44 +0100 (Wed, 25 Nov 2009) | 3 lines Added rules to break the user function subsections in the manual apart. ........ r9978 | bugman | 2009-11-25 17:18:32 +0100 (Wed, 25 Nov 2009) | 3 lines Modified the spin ID string documentation to be better presented in the relax manual. ........ r9979 | bugman | 2009-11-26 09:09:29 +0100 (Thu, 26 Nov 2009) | 6 lines User function call examples in the relax manual are now better formatted. They are allowed to break after '.', '(', and '='. This is for the examples and the Defaults subsubsection. ........ r9980 | bugman | 2009-11-26 10:22:06 +0100 (Thu, 26 Nov 2009) | 3 lines Allowed for hyphenation in the user function subsection titles. ........ r9981 | bugman | 2009-11-26 12:20:26 +0100 (Thu, 26 Nov 2009) | 3 lines Massive tables in the relax manual are now being split using the longtable package. ........ r9982 | bugman | 2009-11-26 12:27:18 +0100 (Thu, 26 Nov 2009) | 3 lines The tables in the user function chapter now have the same font size as the rest of the text. ........ r9983 | bugman | 2009-11-26 12:33:35 +0100 (Thu, 26 Nov 2009) | 3 lines Better formatting of the user function chapter by using \raggedbottom. ........ r9984 | bugman | 2009-11-26 12:50:58 +0100 (Thu, 26 Nov 2009) | 3 lines Fixed the boolean selection table to be nicer to the automatic manual compilation. ........ r9985 | bugman | 2009-11-26 13:16:37 +0100 (Thu, 26 Nov 2009) | 3 lines The longtables are now properly labelled. ........ r9986 | bugman | 2009-11-26 18:36:27 +0100 (Thu, 26 Nov 2009) | 3 lines Removed the checking of sequence data from generic_fns.value.set(). ........ r9998 | bugman | 2009-11-27 16:00:04 +0100 (Fri, 27 Nov 2009) | 3 lines Added the analysis specific API method is_spin_param() to the frame order module. ........ r9999 | bugman | 2009-11-27 17:16:08 +0100 (Fri, 27 Nov 2009) | 3 lines Docstring fixes for the value.set() user function. ........ r10000 | bugman | 2009-11-27 17:39:31 +0100 (Fri, 27 Nov 2009) | 5 lines Renamed the 'prompt.check' module to the base relax directory module 'arg_check'. This makes the module more available to other parts of relax that requires argument type checking. ........ r10001 | bugman | 2009-11-27 17:53:43 +0100 (Fri, 27 Nov 2009) | 3 lines Removed 'check' from the __all__ list. ........ r10002 | bugman | 2009-11-27 18:03:11 +0100 (Fri, 27 Nov 2009) | 3 lines Fixed all the calls to the renamed 'arg_check' module. ........ r10003 | bugman | 2009-11-27 18:09:39 +0100 (Fri, 27 Nov 2009) | 5 lines Specific analysis API clean up. The get_param_name and get_param_value methods are returned by asking directly for these names. ........ r10004 | bugman | 2009-11-27 18:29:15 +0100 (Fri, 27 Nov 2009) | 7 lines Redesigned the specific analysis API for setting parameter values. Now the set_param_values() method is to be provided. It is for setting single parameter values. This will be followed by a complete redesign of the value.set() user function back end (which is currently a mess). ........ r10005 | bugman | 2009-11-27 18:31:04 +0100 (Fri, 27 Nov 2009) | 3 lines Added the set_param_values() method to the base API (matching the changes of r9986). [... 3677 lines stripped ...]