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SVN archive Commit Log


Commit Date  
[r25305] by bugman

Standardisation of the array dimensionality in the target function C code.

The new target_functions/dimensions.h header file defines MAX_PARAMS and MAX_DATA which is then
included in the header files of all the other C files. All array declarations now explicitly
specify the length of each dimension.

The values of MAX_PARAMS and MAX_DATA have increased from 3 and 50 to 20 and 5000. This is to allow
for models with more parameters and to allow a much larger number of input data points to be
supported before memory corruptions happen. The data structures now take up more memory, but as the
functions do not loop up to maximum but only the number of parameters and points specified, this
will not make the code slower.

2014-08-26 16:25:19 Tree
[r25304] by bugman

Changed the internal variables of the chi-squared gradient C code to match the Python code.

2014-08-26 16:09:39 Tree
[r25303] by bugman

Implemented the C version of the chi-squared Hessian.

This is a direct translation of the Python code.

2014-08-26 16:08:15 Tree
[r25302] by bugman

Updated the copyright notices in the C files of the target_functions directory.

2014-08-26 15:56:45 Tree
[r25301] by bugman

Removed some printouts accidentally committed in the previous revision.

2014-08-26 15:52:19 Tree
[r25300] by bugman

Major bugfix for the frame order auto-analysis.

The algorithm of using a PCS data subset of a few selected residues to find an initial parameter
estimate followed by using all PCS data was badly implemented. The use of the PCS subset caused
most spin systems to be deselected, however they remained deselected once all data was being used.
So the result was that only the spin subset was ever being used in the analysis.

2014-08-26 15:49:16 Tree
[r25299] by bugman

The frame order auto-analysis now calls the time() user function.

This is used at the start of each model section, as well as at the very start and very end of the
analysis. This feedback is needed for the user to be able to optimise the optimisation settings.

2014-08-26 15:31:19 Tree
[r25298] by bugman

Comment fix for the target_functions/relax_fit.c file.

2014-08-26 15:22:58 Tree
[r25297] by bugman

Removed the comment and docstring saying that the exponential curve-fitting gradient is unimplemented.

2014-08-26 15:17:33 Tree
[r25296] by bugman

Shifted all of the parameter Python lists to C arrays into the new param_to_c() function.

This is for the target_functions.relax_fit C module to avoid much duplicated code.

2014-08-26 15:13:48 Tree
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