Author: bugman Date: Tue Nov 24 11:07:36 2009 New Revision: 9898 URL: http://svn.gna.org/viewcvs/relax?rev=9898&view=rev Log: Alphabetical ordering of the functions. Modified: 1.3/generic_fns/minimise.py Modified: 1.3/generic_fns/minimise.py URL: http://svn.gna.org/viewcvs/relax/1.3/generic_fns/minimise.py?rev=9898&r1=9897&r2=9898&view=diff ============================================================================== --- 1.3/generic_fns/minimise.py (original) +++ 1.3/generic_fns/minimise.py Tue Nov 24 11:07:36 2009 @@ -31,83 +31,6 @@ from generic_fns import pipes from relax_errors import RelaxError import specific_fns - - -def reset_min_stats(data_pipe=None, spin=None): - """Function for resetting the minimisation statistics. - - @param data_pipe: The name of the data pipe to reset the minimisation statisics of. This - defaults to the current data pipe. - @type data_pipe: str - @param spin: The spin data container if spin specific data is to be reset. - @type spin: SpinContainer - """ - - # The data pipe. - if data_pipe == None: - data_pipe = pipes.cdp_name() - - # Get the data pipe. - dp = pipes.get_pipe(data_pipe) - - - # Global minimisation statistics. - ################################# - - # Chi-squared. - if hasattr(dp, 'chi2'): - dp.chi2 = None - - # Iteration count. - if hasattr(dp, 'iter'): - dp.iter = None - - # Function count. - if hasattr(dp, 'f_count'): - dp.f_count = None - - # Gradient count. - if hasattr(dp, 'g_count'): - dp.g_count = None - - # Hessian count. - if hasattr(dp, 'h_count'): - dp.h_count = None - - # Warning. - if hasattr(dp, 'warning'): - dp.warning = None - - - # Sequence specific minimisation statistics. - ############################################ - - # Loop over all spins. - for spin in spin_loop(): - # Chi-squared. - if hasattr(spin, 'chi2'): - spin.chi2 = None - - # Iteration count. - if hasattr(spin, 'iter'): - spin.iter = None - - # Function count. - if hasattr(spin, 'f_count'): - spin.f_count = None - - # Gradient count. - if hasattr(spin, 'g_count'): - spin.g_count = None - - # Hessian count. - if hasattr(spin, 'h_count'): - spin.h_count = None - - # Warning. - if hasattr(spin, 'warning'): - spin.warning = None - def calc(verbosity=1): @@ -239,6 +162,82 @@ minimise(min_algor=min_algor, min_options=min_options, func_tol=func_tol, grad_tol=grad_tol, max_iterations=max_iterations, constraints=constraints, scaling=scaling, verbosity=verbosity) +def reset_min_stats(data_pipe=None, spin=None): + """Function for resetting the minimisation statistics. + + @param data_pipe: The name of the data pipe to reset the minimisation statisics of. This + defaults to the current data pipe. + @type data_pipe: str + @param spin: The spin data container if spin specific data is to be reset. + @type spin: SpinContainer + """ + + # The data pipe. + if data_pipe == None: + data_pipe = pipes.cdp_name() + + # Get the data pipe. + dp = pipes.get_pipe(data_pipe) + + + # Global minimisation statistics. + ################################# + + # Chi-squared. + if hasattr(dp, 'chi2'): + dp.chi2 = None + + # Iteration count. + if hasattr(dp, 'iter'): + dp.iter = None + + # Function count. + if hasattr(dp, 'f_count'): + dp.f_count = None + + # Gradient count. + if hasattr(dp, 'g_count'): + dp.g_count = None + + # Hessian count. + if hasattr(dp, 'h_count'): + dp.h_count = None + + # Warning. + if hasattr(dp, 'warning'): + dp.warning = None + + + # Sequence specific minimisation statistics. + ############################################ + + # Loop over all spins. + for spin in spin_loop(): + # Chi-squared. + if hasattr(spin, 'chi2'): + spin.chi2 = None + + # Iteration count. + if hasattr(spin, 'iter'): + spin.iter = None + + # Function count. + if hasattr(spin, 'f_count'): + spin.f_count = None + + # Gradient count. + if hasattr(spin, 'g_count'): + spin.g_count = None + + # Hessian count. + if hasattr(spin, 'h_count'): + spin.h_count = None + + # Warning. + if hasattr(spin, 'warning'): + spin.warning = None + + def return_conversion_factor(stat_type, spin): """Dummy function for returning 1.0.