Author: bugman
Date: Wed Aug 27 10:10:57 2014
New Revision: 25326
URL: http://svn.gna.org/viewcvs/relax?rev=25326&view=rev
Log:
The model-free reset_min_stats() function has been replaced with the
pipe_control.minimise version.
The specific_analyses.model_free.optimisation.reset_min_stats() function has
been deleted and
instead the pipe_control.minimise version is being used.
Modified:
trunk/specific_analyses/model_free/api.py
trunk/specific_analyses/model_free/optimisation.py
Modified: trunk/specific_analyses/model_free/api.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/model_free/api.py?rev=25326&r1=25325&r2=25326&view=diff
==============================================================================
--- trunk/specific_analyses/model_free/api.py (original)
+++ trunk/specific_analyses/model_free/api.py Wed Aug 27 10:10:57 2014
@@ -50,6 +50,7 @@
from pipe_control.exp_info import bmrb_write_citations, bmrb_write_methods,
bmrb_write_software
from pipe_control.interatomic import return_interatom_list
from pipe_control.mol_res_spin import count_spins, exists_mol_res_spin_data,
find_index, get_molecule_names, return_spin, return_spin_from_index,
return_spin_indices, spin_loop
+from pipe_control.minimise import reset_min_stats
from specific_analyses.api_base import API_base
from specific_analyses.api_common import API_common
from specific_analyses.model_free.bmrb import sf_csa_read, sf_model_free_read,
to_bmrb_model
@@ -57,7 +58,7 @@
from specific_analyses.model_free.molmol import Molmol
from specific_analyses.model_free.model import determine_model_type
from specific_analyses.model_free.parameters import are_mf_params_set,
assemble_param_names, assemble_param_vector, linear_constraints
-from specific_analyses.model_free.optimisation import MF_grid_command,
MF_memo, MF_minimise_command, minimise_data_setup, relax_data_opt_structs,
reset_min_stats
+from specific_analyses.model_free.optimisation import MF_grid_command,
MF_memo, MF_minimise_command, minimise_data_setup, relax_data_opt_structs
from specific_analyses.model_free.parameter_object import Model_free_params
from specific_analyses.model_free.pymol import Pymol
from target_functions.mf import Mf
@@ -1124,8 +1125,8 @@
raise RelaxSpinTypeError
# Reset the minimisation statistics.
- if sim_index == None and min_algor != 'back_calc':
- reset_min_stats()
+ if min_algor != 'back_calc':
+ reset_min_stats(sim_index=sim_index)
# Containers for the model-free data and optimisation parameters.
data_store = Data_container()
Modified: trunk/specific_analyses/model_free/optimisation.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/model_free/optimisation.py?rev=25326&r1=25325&r2=25326&view=diff
==============================================================================
--- trunk/specific_analyses/model_free/optimisation.py (original)
+++ trunk/specific_analyses/model_free/optimisation.py Wed Aug 27 10:10:57 2014
@@ -485,32 +485,6 @@
return ri_data, ri_data_err, len(frq), num_ri, ri_labels, frq,
remap_table, noe_r1_table
-def reset_min_stats():
- """Reset all the minimisation statistics.
-
- All global and spin specific values will be set to None.
- """
-
- # Global stats.
- if hasattr(cdp, 'chi2'):
- cdp.chi2 = None
- cdp.iter = None
- cdp.f_count = None
- cdp.g_count = None
- cdp.h_count = None
- cdp.warning = None
-
- # Spin specific stats.
- for spin in spin_loop():
- if hasattr(spin, 'chi2'):
- spin.chi2 = None
- spin.iter = None
- spin.f_count = None
- spin.g_count = None
- spin.h_count = None
- spin.warning = None
-
-
def spin_print(spin_id, verbosity):
"""Print out some header text for the spin.
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