Author: bugman
Date: Fri Jan 18 16:03:29 2008
New Revision: 4857
URL: http://svn.gna.org/viewcvs/relax?rev=4857&view=rev
Log:
Merged revisions 4854-4856 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3
........
r4854 | bugman | 2008-01-18 15:42:02 +0100 (Fri, 18 Jan 2008) | 3 lines
Big refactorisation of the partition_params() and set() functions.
........
r4855 | bugman | 2008-01-18 15:58:10 +0100 (Fri, 18 Jan 2008) | 3 lines
Changed the way the model parameters are set in the set() function.
........
r4856 | bugman | 2008-01-18 16:01:28 +0100 (Fri, 18 Jan 2008) | 6 lines
Reverted r4850 as generic_fns.value.partition_params() has returned to its
previous behaviour.
The command used was:
svn merge -r4850:4849 .
........
Modified:
branches/N_state_model/ (props changed)
branches/N_state_model/generic_fns/value.py
branches/N_state_model/test_suite/unit_tests/_generic_fns/test_value.py
Propchange: branches/N_state_model/
------------------------------------------------------------------------------
Binary property 'svnmerge-integrated' - no diff available.
Modified: branches/N_state_model/generic_fns/value.py
URL:
http://svn.gna.org/viewcvs/relax/branches/N_state_model/generic_fns/value.py?rev=4857&r1=4856&r2=4857&view=diff
==============================================================================
--- branches/N_state_model/generic_fns/value.py (original)
+++ branches/N_state_model/generic_fns/value.py Fri Jan 18 16:03:29 2008
@@ -57,14 +57,42 @@
spin_values = []
other_params = []
other_values = []
- model_values = []
-
- # The parameter has been specified.
- if param:
- # Single parameter.
- if type(param) == str:
+
+ # Single parameter.
+ if type(param) == str:
+ # Spin specific parameter.
+ if return_data_name(param):
+ params = spin_params
+ values = spin_values
+
+ # Other parameters.
+ else:
+ params = other_params
+ values = other_values
+
+ # List of values.
+ if type(val) == list or isinstance(val, ndarray):
+ # Parameter name.
+ for i in xrange(len(val)):
+ params.append(param)
+
+ # Parameter value.
+ values = val
+
+ # Single value.
+ else:
+ # Parameter name.
+ params.append(param)
+
+ # Parameter value.
+ values.append(val)
+
+ # Multiple parameters.
+ elif type(param) == list:
+ # Loop over all parameters.
+ for i in xrange(len(param)):
# Spin specific parameter.
- if return_data_name(param):
+ if return_data_name(param[i]):
params = spin_params
values = spin_values
@@ -73,59 +101,18 @@
params = other_params
values = other_values
- # List of values.
+ # Parameter name.
+ params.append(param[i])
+
+ # Parameter value.
if type(val) == list or isinstance(val, ndarray):
- # Parameter name.
- for i in xrange(len(val)):
- params.append(param)
-
- # Parameter value.
- values = val
-
- # Single value.
+ values.append(val[i])
else:
- # Parameter name.
- params.append(param)
-
- # Parameter value.
values.append(val)
- # Multiple parameters.
- elif type(param) == list:
- # Loop over all parameters.
- for i in xrange(len(param)):
- # Spin specific parameter.
- if return_data_name(param[i]):
- params = spin_params
- values = spin_values
-
- # Other parameters.
- else:
- params = other_params
- values = other_values
-
- # Parameter name.
- params.append(param[i])
-
- # Parameter value.
- if type(val) == list or isinstance(val, ndarray):
- values.append(val[i])
- else:
- values.append(val)
-
-
- # No parameter name supplied, so these must be the model parameter
values.
- else:
- # List of values.
- if type(val) == list or isinstance(val, ndarray):
- model_values = val
-
- # Single value.
- elif val:
- model_values = [val]
# Return the partitioned parameters and values.
- return spin_params, spin_values, other_params, other_values, model_values
+ return spin_params, spin_values, other_params, other_values
def set(val=None, param=None, spin_id=None, force=False):
@@ -149,52 +136,70 @@
return_value = get_specific_fn('return_value',
relax_data_store[relax_data_store.current_pipe].pipe_type)
set_non_spin_params = get_specific_fn('set_non_spin_params',
relax_data_store[relax_data_store.current_pipe].pipe_type)
- # Partition the parameters into those which are spin specific and those
which are not.
- spin_params, spin_values, other_params, other_values, model_values =
partition_params(val, param)
-
-
- # Spin specific parameters.
- ###########################
-
- if spin_params:
- # Test if the sequence data is loaded.
- if not exists_mol_res_spin_data():
- raise RelaxNoSequenceError
-
- # First test if parameter value already exists, prior to setting any
params.
- if not force:
+ # The parameters have been specified.
+ if param:
+ # Partition the parameters into those which are spin specific and
those which are not.
+ spin_params, spin_values, other_params, other_values =
partition_params(val, param)
+
+ # Spin specific parameters.
+ if spin_params:
+ # Test if the sequence data is loaded.
+ if not exists_mol_res_spin_data():
+ raise RelaxNoSequenceError
+
+ # First test if parameter value already exists, prior to setting
any params.
+ if not force:
+ # Loop over the spins.
+ for spin in spin_loop(spin_id):
+ # Skip unselected spins.
+ if not spin.select:
+ continue
+
+ # Loop over the parameters.
+ for param in spin_params:
+ # Get the value and error.
+ temp_value, temp_error = return_value(spin, param)
+
+ # Data exists.
+ if temp_value != None or temp_error != None:
+ raise RelaxValueError, (param)
+
+ # Loop over the spins.
+ for spin in spin_loop(spin_id):
+ # Skip unselected residues.
+ if not spin.select:
+ continue
+
+ # Set the individual parameter values.
+ for j in xrange(len(spin_params)):
+ set_spin_params(value=spin_values[j], error=None,
spin=spin, param=spin_params[j])
+
+
+ # All other parameters.
+ if other_params:
+ set_non_spin_params(value=other_values, param=other_params)
+
+
+ # All model parameters (i.e. no parameters have been supplied).
+ else:
+ # Convert val to a list if necessary.
+ if type(val) != list or not isinstance(val, ndarray):
+ val = [val]
+
+ # Spin specific models.
+ if exists_mol_res_spin_data():
# Loop over the spins.
for spin in spin_loop(spin_id):
# Skip unselected spins.
if not spin.select:
continue
- # Loop over the parameters.
- for param in spin_params:
- # Get the value and error.
- temp_value, temp_error = return_value(spin, param)
-
- # Data exists.
- if temp_value != None or temp_error != None:
- raise RelaxValueError, (param)
-
- # Loop over the spins.
- for spin in spin_loop(spin_id):
- # Skip unselected residues.
- if not spin.select:
- continue
-
- # Go to the specific code.
- for j in xrange(len(spin_params)):
- set_spin_params(value=spin_values[j], error=None, spin=spin,
param=spin_params[j])
-
-
- # All other parameters.
- #######################
-
- if other_params:
- set_non_spin_params(value=other_values, param=other_params)
-
+ # Set the individual parameter values.
+ for j in xrange(len(val)):
+ set_spin_params(value=val[j], error=None, spin=spin,
param=None)
+
+ # Set the non-spin specific parameters.
+ set_non_spin_params(value=val, param=param)
# Reset all minimisation statistics.
reset_min_stats()
Modified:
branches/N_state_model/test_suite/unit_tests/_generic_fns/test_value.py
URL:
http://svn.gna.org/viewcvs/relax/branches/N_state_model/test_suite/unit_tests/_generic_fns/test_value.py?rev=4857&r1=4856&r2=4857&view=diff
==============================================================================
--- branches/N_state_model/test_suite/unit_tests/_generic_fns/test_value.py
(original)
+++ branches/N_state_model/test_suite/unit_tests/_generic_fns/test_value.py
Fri Jan 18 16:03:29 2008
@@ -48,7 +48,7 @@
val = [0.8]
# Partition.
- spin_params, spin_values, other_params, other_values, model_values =
value.partition_params(val, param)
+ spin_params, spin_values, other_params, other_values =
value.partition_params(val, param)
# Tests.
self.assertEqual(spin_params, ['S2'])
@@ -68,7 +68,7 @@
val = [1e7]
# Partition.
- spin_params, spin_values, other_params, other_values, model_values =
value.partition_params(val, param)
+ spin_params, spin_values, other_params, other_values =
value.partition_params(val, param)
# Tests.
self.assertEqual(spin_params, [])
@@ -88,7 +88,7 @@
val = [1e7, 0.8]
# Partition.
- spin_params, spin_values, other_params, other_values, model_values =
value.partition_params(val, param)
+ spin_params, spin_values, other_params, other_values =
value.partition_params(val, param)
# Tests.
self.assertEqual(spin_params, ['S2'])
@@ -108,7 +108,7 @@
val = [1e7, 0.8, -160e-6]
# Partition.
- spin_params, spin_values, other_params, other_values, model_values =
value.partition_params(val, param)
+ spin_params, spin_values, other_params, other_values =
value.partition_params(val, param)
# Tests.
self.assertEqual(spin_params, ['S2', 'CSA'])
@@ -128,7 +128,7 @@
val = [1e7, 0.8, 2e7, -160e-6, 0.13]
# Partition.
- spin_params, spin_values, other_params, other_values, model_values =
value.partition_params(val, param)
+ spin_params, spin_values, other_params, other_values =
value.partition_params(val, param)
# Tests.
self.assertEqual(spin_params, ['S2', 'CSA'])
@@ -148,7 +148,7 @@
val = []
# Partition.
- spin_params, spin_values, other_params, other_values, model_values =
value.partition_params(val, param)
+ spin_params, spin_values, other_params, other_values =
value.partition_params(val, param)
# Tests.
self.assertEqual(spin_params, [])
r4857 - in /branches/N_state_model: ./ generic_fns/value.py test_suite/unit_tests/_generic_fns/test_value.py