Author: bugman Date: Wed Oct 15 13:34:41 2014 New Revision: 26287 URL: http://svn.gna.org/viewcvs/relax?rev=26287&view=rev Log: Changed the model-free single spin optimisation title printouts. The specific_analyses.model_free.optimisation.spin_print() function has been deleted. It has instead been replaced by a call to lib.text.sectioning.subtitle(). This is to match the grid search setup title printouts and to differentiate these titles from those printed out by minfx being underlined by '~' characters. Modified: trunk/specific_analyses/model_free/optimisation.py Modified: trunk/specific_analyses/model_free/optimisation.py URL: http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/model_free/optimisation.py?rev=26287&r1=26286&r2=26287&view=diff ============================================================================== --- trunk/specific_analyses/model_free/optimisation.py (original) +++ trunk/specific_analyses/model_free/optimisation.py Wed Oct 15 13:34:41 2014 @@ -27,12 +27,14 @@ from minfx.generic import generic_minimise from minfx.grid import grid, grid_point_array from numpy import array, dot, float64 +import sys # relax module imports. import lib.arg_check from lib.errors import RelaxError, RelaxInfError, RelaxMultiVectorError, RelaxNaNError from lib.float import isNaN, isInf from lib.periodic_table import periodic_table +from lib.text.sectioning import subsection from multi import Memo, Result_command, Slave_command from pipe_control import pipes from pipe_control.interatomic import return_interatom_list @@ -485,25 +487,6 @@ return ri_data, ri_data_err, len(frq), num_ri, ri_labels, frq, remap_table, noe_r1_table -def spin_print(spin_id, verbosity): - """Print out some header text for the spin. - - @param spin_id: The spin ID string. - @type spin_id: str - @param verbosity: The amount of information to print. The higher the value, the greater the verbosity. - @type verbosity: int - """ - - # Some extra spacing for verbose printouts. - if verbosity >= 2: - print("\n\n") - - # The header. - string = "Fitting to spin " + repr(spin_id) - print("\n\n" + string) - print(len(string) * '~') - - class MF_memo(Memo): """The model-free memo class. @@ -568,9 +551,9 @@ # Initialise the function to minimise. self.mf = Mf(init_params=self.opt_params.param_vector, model_type=self.data.model_type, diff_type=self.data.diff_type, diff_params=self.data.diff_params, scaling_matrix=self.data.scaling_matrix, num_spins=self.data.num_spins, equations=self.data.equations, param_types=self.data.param_types, param_values=self.data.param_values, relax_data=self.data.ri_data, errors=self.data.ri_data_err, bond_length=self.data.r, csa=self.data.csa, num_frq=self.data.num_frq, frq=self.data.frq, num_ri=self.data.num_ri, remap_table=self.data.remap_table, noe_r1_table=self.data.noe_r1_table, ri_labels=self.data.ri_types, gx=self.data.gx, gh=self.data.gh, h_bar=self.data.h_bar, mu0=self.data.mu0, num_params=self.data.num_params, vectors=self.data.xh_unit_vectors) - # Print out. + # Printout. if self.opt_params.verbosity >= 1 and (self.data.model_type == 'mf' or self.data.model_type == 'local_tm'): - spin_print(self.data.spin_id, self.opt_params.verbosity) + subsection(file=sys.stdout, text="Optimisation: Spin '%s'" % self.data.spin_id, prespace=2, postspace=0) # Preform optimisation. results = self.optimise()