Commit | Date | |
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2006-01-10 03:12:18 | Tree | |
[r2303]
by
bugman
Relaxation curve fitting and Makefile changes. A second Makefile within the 'maths_fns' directory has been created as a copy of the Makefile in the The files 'exp_fn.c' and 'exp_fn.h' have been renamed to 'relax_fit.c' and 'relax_fit.h' More minimisation code has been added to 'specific_fns/relax_fit.py'. |
2006-01-10 03:05:54 | Tree |
[r2302]
by
bugman
Rolling back all changes to the 1.0 branch back to revision 2294. The changes which are being removed now exist in the 1.1 branch. |
2006-01-09 06:01:59 | Tree |
[r2301]
by
bugman
Creating an unstable development fork from 1.0 called 1.1. This fork exists because the last few commits of the relaxation curve fitting modifications have One of the major changes includes the addition of C code for the implementation of functions To build these C modules, relax has shifted to using Makefiles. Therefore to compile the code, the C code has been introduced solely to decrease computation time. This inclusion also allows the use The 1.0 branch will be reverted back to revision r2294 which was the last commit not involving |
2006-01-09 04:31:42 | Tree |
[r2300]
by
bugman
A huge number of changes for the relaxation curve fitting functions. As C code has been added, the compilation of that code, as well as the functions of the clean_up A rudimentary C file 'maths_fns/exp_fn.c' and C header file 'maths_fns/exp_fn.h' has been created Reliance on Swig has been removed, therefore the file 'maths_fns/c_chi2.i' is unnecessary and has For the specific relaxation curve fitting module 'specific_fns/relax_fit.py', the C code which has The class Relax_fit in 'specific_fns/relax_fit.py' is now subclassed with the class Common_functions The function 'ave_and_sd' has been added to 'specific_fns/relax_fit.py' to calculate the average The 'return_data_name' and 'set' functions for relaxation curve fitting have been added to The indentation in 'generic_fns/value.py' has been fixed. The 'set()' function in 'specific_fns/jw_mapping.py' has been fixed. |
2006-01-09 02:39:10 | Tree |
[r2299]
by
bugman
Bug fixes and completion of the NOE data analysis section of the manual. The grace file produced by grace.write() has had one bug removed (not \n). The point are now small The NOE functions return_conversion_factor, return_grace_string, and return_units have been added |
2006-01-07 00:58:33 | Tree |
[r2298]
by
bugman
Added a chapter to the manual about data analysis. This is a chapter intended to explain Also added an introduction paragraph to the maths chapter to warn ordinary users to not read it. |
2006-01-06 06:03:18 | Tree |
[r2297]
by
bugman
A large number of changes in preparation for optimisation of the exponential relaxation curves. The user function 'relax_fit.curve_type' has been renamed to 'relax_fit.select_model' to bring it Bug fix: The model-free prompt function now prints the 'res_num' argument. The following functions have been added to the file 'specific_fns/relax_fit.py' in preparation: self.assemble_param_vector() A few other fixes have been added to 'specific_fns/relax_fit.py'. The 'data_init' function of 'specific_fns/model_free.py' has been simplified a little. The relax_fit minimise function has been added to 'specific_fns/specific_setup.py'. |
2006-01-06 03:41:02 | Tree |
[r2296]
by
bugman
More additions to the relaxation curve fitting functions. The specification of the exponential curve type, either the two parameter standard experiment or A grid search function has been added. The specific setup has been modified to printout information when the debugging flag is given to the |
2006-01-05 07:27:37 | Tree |
[r2295]
by
bugman
Added the relaxation data curvefitting function 'assign_function' for placing the data into |
2006-01-05 06:36:33 | Tree |