Author: bugman
Date: Mon Mar 31 08:52:49 2014
New Revision: 22613
URL: http://svn.gna.org/viewcvs/relax?rev=22613&view=rev
Log:
Merged revisions 22611 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk
........
r22611 | bugman | 2014-03-29 00:15:18 +0100 (Sat, 29 Mar 2014) | 7 lines
Fix for the new singleton design of the specific analysis API objects.
The use of the class namespace as a storage space has been eliminated.
This was causing test suite
failures when checking the API objects. For some reason, some of the
target function objects were
being placed in 'self'.
........
Modified:
branches/double_rotor/ (props changed)
branches/double_rotor/specific_analyses/consistency_tests/api.py
branches/double_rotor/specific_analyses/jw_mapping/api.py
branches/double_rotor/specific_analyses/model_free/api.py
Propchange: branches/double_rotor/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Mon Mar 31 08:52:49 2014
@@ -1 +1 @@
-/trunk:1-22609
+/trunk:1-22612
Modified: branches/double_rotor/specific_analyses/consistency_tests/api.py
URL:
http://svn.gna.org/viewcvs/relax/branches/double_rotor/specific_analyses/consistency_tests/api.py?rev=22613&r1=22612&r2=22613&view=diff
==============================================================================
--- branches/double_rotor/specific_analyses/consistency_tests/api.py
(original)
+++ branches/double_rotor/specific_analyses/consistency_tests/api.py Mon
Mar 31 08:52:49 2014
@@ -201,10 +201,10 @@
r = interatoms[i].r
# Initialise the function to calculate.
- self.ct = Consistency(frq=cdp.ct_frq, gx=gx, gh=gh, mu0=mu0,
h_bar=h_bar)
+ ct = Consistency(frq=cdp.ct_frq, gx=gx, gh=gh, mu0=mu0,
h_bar=h_bar)
# Calculate the consistency tests values.
- j0, f_eta, f_r2 = self.ct.func(orientation=spin.orientation,
tc=spin.tc, r=r, csa=spin.csa, r1=r1, r2=r2, noe=noe)
+ j0, f_eta, f_r2 = ct.func(orientation=spin.orientation,
tc=spin.tc, r=r, csa=spin.csa, r1=r1, r2=r2, noe=noe)
# Consistency tests values.
if sim_index == None:
Modified: branches/double_rotor/specific_analyses/jw_mapping/api.py
URL:
http://svn.gna.org/viewcvs/relax/branches/double_rotor/specific_analyses/jw_mapping/api.py?rev=22613&r1=22612&r2=22613&view=diff
==============================================================================
--- branches/double_rotor/specific_analyses/jw_mapping/api.py (original)
+++ branches/double_rotor/specific_analyses/jw_mapping/api.py Mon Mar 31
08:52:49 2014
@@ -190,10 +190,10 @@
r = interatoms[i].r
# Initialise the function to calculate.
- self.jw = Mapping(frq=cdp.jw_frq, gx=gx, gh=gh, mu0=mu0,
h_bar=h_bar)
+ jw = Mapping(frq=cdp.jw_frq, gx=gx, gh=gh, mu0=mu0, h_bar=h_bar)
# Calculate the spectral density values.
- j0, jwx, jwh = self.jw.func(r=r, csa=spin.csa, r1=r1, r2=r2,
noe=noe)
+ j0, jwx, jwh = jw.func(r=r, csa=spin.csa, r1=r1, r2=r2, noe=noe)
# Reduced spectral density values.
if sim_index == None:
Modified: branches/double_rotor/specific_analyses/model_free/api.py
URL:
http://svn.gna.org/viewcvs/relax/branches/double_rotor/specific_analyses/model_free/api.py?rev=22613&r1=22612&r2=22613&view=diff
==============================================================================
--- branches/double_rotor/specific_analyses/model_free/api.py (original)
+++ branches/double_rotor/specific_analyses/model_free/api.py Mon Mar 31
08:52:49 2014
@@ -1449,7 +1449,7 @@
# Initialise the function to minimise (for back-calculation and
LM minimisation).
if min_algor == 'back_calc' or match('[Ll][Mm]$', algor) or
match('[Ll]evenburg-[Mm]arquardt$', algor):
- self.mf = Mf(init_params=opt_params.param_vector,
model_type=data_store.model_type, diff_type=data_store.diff_type,
diff_params=data_store.diff_params, scaling_matrix=data_store.scaling_matrix,
num_spins=data_store.num_spins, equations=data_store.equations,
param_types=data_store.param_types, param_values=data_store.param_values,
relax_data=data_store.ri_data, errors=data_store.ri_data_err,
bond_length=data_store.r, csa=data_store.csa, num_frq=data_store.num_frq,
frq=data_store.frq, num_ri=data_store.num_ri,
remap_table=data_store.remap_table, noe_r1_table=data_store.noe_r1_table,
ri_labels=data_store.ri_types, gx=data_store.gx, gh=data_store.gh,
h_bar=data_store.h_bar, mu0=data_store.mu0, num_params=data_store.num_params,
vectors=data_store.xh_unit_vectors)
+ mf = Mf(init_params=opt_params.param_vector,
model_type=data_store.model_type, diff_type=data_store.diff_type,
diff_params=data_store.diff_params, scaling_matrix=data_store.scaling_matrix,
num_spins=data_store.num_spins, equations=data_store.equations,
param_types=data_store.param_types, param_values=data_store.param_values,
relax_data=data_store.ri_data, errors=data_store.ri_data_err,
bond_length=data_store.r, csa=data_store.csa, num_frq=data_store.num_frq,
frq=data_store.frq, num_ri=data_store.num_ri,
remap_table=data_store.remap_table, noe_r1_table=data_store.noe_r1_table,
ri_labels=data_store.ri_types, gx=data_store.gx, gh=data_store.gh,
h_bar=data_store.h_bar, mu0=data_store.mu0, num_params=data_store.num_params,
vectors=data_store.xh_unit_vectors)
# Levenberg-Marquardt minimisation.
if match('[Ll][Mm]$', algor) or
match('[Ll]evenburg-[Mm]arquardt$', algor):
@@ -1465,11 +1465,11 @@
lm_error[index:index+len(ri_data_err[k])] =
ri_data_err[k]
index = index + len(ri_data_err[k])
- opt_params.min_options = opt_params.min_options +
(self.mf.lm_dri, lm_error)
+ opt_params.min_options = opt_params.min_options +
(mf.lm_dri, lm_error)
# Back-calculation.
if min_algor == 'back_calc':
- return self.mf.calc_ri()
+ return mf.calc_ri()
# Parallelised grid search for the diffusion parameter space.
if match('^[Gg]rid', min_algor) and data_store.model_type ==
'diff':
r22613 - in /branches/double_rotor: ./ specific_analyses/consistency_tests/ specific_analyses/jw_mapping/ specific_analyses/...