Commit | Date | |
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[r2801]
by
bugman
Two functions for converting a string bit pattern to a float and a number of IEEE-754 constants. The fucntions 'bitpatternToFloat()' and 'bitpatternToInt()' have been added to 'float.py'. The By passing big-endian 64 bit patterns to the 'bitpatternToFloat()' function, the following IEEE-754 |
2006-11-11 09:57:35 | Tree |
2006-11-10 07:21:56 | Tree | |
[r2799]
by
bugman
Fix for bug #7676 (https://gna.org/bugs/?7676). This bug was reported by Stephen Headey <s dot j dot headey at massey dot ac dot nz>. The issue was The function 'self.det_dimensions()' has been added to determine which of w1 or w2 is the proton |
2006-11-10 07:18:32 | Tree |
[r2798]
by
bugman
The intensity reading function now counts the number of header lines in the Sparky or XEasy file. The function 'self.number_of_header_lines()' has been added. This attempts to execute the intensity |
2006-11-10 06:48:15 | Tree |
2006-11-10 06:30:21 | Tree | |
[r2796]
by
bugman
Complete redesign of 'self.relax.data.diff': auto-calculated objects updated when params are set. The previous commits redesigned the 'self.relax.data.diff' code so that when a diffusion tensor However this approach is incredibly slow. This is especially apparent when each vector of the Therefore I have completely redesigned the code. Rather than being calculated on the fly, the The 'self.__setattr__()' function consists of two parts. Firstly the 'self.relax.data.diff' object The objects which are currently updated include: These are all updated using the function 'self._update_object()'. Dependant on the category (val, self.__dict__[target] = value In the case of MC simulations, 'value' is replaced with 'sim_values'. |
2006-11-10 05:39:55 | Tree |
[r2795]
by
bugman
More synthetic NMR relaxation data for the model-free system tests of the test suite. The data was back calculated from the model-free parameters: The synthetic relaxation data is noise free and consists of the R1, R2, and NOE at both 500 and |
2006-11-10 04:38:05 | Tree |
2006-11-09 16:27:17 | Tree | |
[r2793]
by
macraild
Fix for bug #7675. Removes unneccessary lookup of pdb.load_seq https://gna.org/bugs/index.php?7675 |
2006-11-09 11:27:13 | Tree |
[r2792]
by
bugman
Modified 'self.vectors()' to place the proton and heteronucleus name in 'self.relax.data.res[run]'. Previously the names were being placed into 'self.relax.data.pdb[run]' which is problematic for |
2006-11-09 09:12:19 | Tree |