Author: bugman
Date: Sun Jun 22 23:07:16 2008
New Revision: 6449
URL: http://svn.gna.org/viewcvs/relax?rev=6449&view=rev
Log:
Shifted the spin specific object name and descriptions into the specific code.
Modified:
1.3/data/mol_res_spin.py
1.3/generic_fns/relax_data.py
1.3/specific_fns/model_free/main.py
Modified: 1.3/data/mol_res_spin.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/data/mol_res_spin.py?rev=6449&r1=6448&r2=6449&view=diff
==============================================================================
--- 1.3/data/mol_res_spin.py (original)
+++ 1.3/data/mol_res_spin.py Sun Jun 22 23:07:16 2008
@@ -28,10 +28,11 @@
from re import match
# relax module imports.
+import data
from prototype import Prototype
from relax_errors import RelaxError
from relax_xml import fill_object_contents
-
+import specific_fns
# The spin system data.
@@ -191,44 +192,21 @@
@type element: XML element object
"""
- # The SpinContainer objects ordered and with description for the XML
output.
- object_info = [
- ['select', 'The spin selection flag'],
- ['fixed', 'The fixed flag'],
- ['proton_type', 'The proton spin type'],
- ['heteronuc_type', 'The heteronucleus spin type'],
- ['attached_proton', None],
- ['nucleus', None],
- ['model', 'The model'],
- ['equation', 'The model equation'],
- ['params', 'The model parameters'],
- ['s2', 'S2, the model-free generalised order parameter (S2 =
S2f.S2s)'],
- ['s2f', 'S2f, the faster motion model-free generalised order
parameter'],
- ['s2s', 'S2s, the slower motion model-free generalised order
parameter'],
- ['local_tm', 'The spin specific global correlation time (ns)'],
- ['te', 'Single motion effective internal correlation time (ps)'],
- ['tf', 'Faster motion effective internal correlation time (ps)'],
- ['ts', 'Slower motion effective internal correlation time (ps)'],
- ['rex', 'Chemical exchange relaxation'],
- ['r', 'Bond length'],
- ['csa', 'Chemical shift anisotropy'],
- ['chi2', 'Chi-squared value'],
- ['iter', 'Optimisation iterations'],
- ['f_count', 'Number of function calls'],
- ['g_count', 'Number of gradient calls'],
- ['h_count', 'Number of Hessian calls'],
- ['warning', 'Optimisation warning'],
- ['xh_vect', 'XH bond vector'],
- ['num_frq', 'Number of spectrometer frequencies'],
- ['frq', 'Frequencies'],
- ['frq_labels', 'Frequency labels'],
- ['num_ri', 'Number of relaxation data sets'],
- ['ri_labels', 'Relaxation data set labels'],
- ['remap_table', 'Table mapping frequencies to relaxation data'],
- ['noe_r1_table', 'Table mapping the NOE to the corresponding
R1'],
- ['relax_data', 'The relaxation data'],
- ['relax_error', 'The relaxation data errors']
- ]
+ # The relax data store.
+ ds = data.Relax_data_store()
+
+ # Get the specific functions.
+ data_names = specific_fns.setup.get_specific_fn('data_names',
ds[ds.current_pipe].pipe_type, raise_error=False)
+ return_data_desc =
specific_fns.setup.get_specific_fn('return_data_desc',
ds[ds.current_pipe].pipe_type, raise_error=False)
+
+ # Get the object names and loop over them to get their descriptions.
+ object_info = []
+ for name in data_names():
+ # Get the description.
+ desc = return_data_desc(name)
+
+ # Append the two.
+ object_info.append([name, desc])
# Loop over the spins.
for i in xrange(len(self)):
Modified: 1.3/generic_fns/relax_data.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/relax_data.py?rev=6449&r1=6448&r2=6449&view=diff
==============================================================================
--- 1.3/generic_fns/relax_data.py (original)
+++ 1.3/generic_fns/relax_data.py Sun Jun 22 23:07:16 2008
@@ -631,6 +631,33 @@
update_data_structures_spin(spin, ri_label, frq_label, frq, value,
error)
+def return_data_desc(name):
+ """Return a description of the spin specific object.
+
+ @param name: The name of the spin specific object.
+ @type name: str
+ """
+
+ if name == 'num_frq':
+ return 'Number of spectrometer frequencies'
+ if name == 'frq':
+ return 'Frequencies'
+ if name == 'frq_labels':
+ return 'Frequency labels'
+ if name == 'num_ri':
+ return 'Number of relaxation data sets'
+ if name == 'ri_labels':
+ return 'Relaxation data set labels'
+ if name == 'remap_table':
+ return 'Table mapping frequencies to relaxation data'
+ if name == 'noe_r1_table':
+ return 'Table mapping the NOE to the corresponding R1'
+ if name == 'relax_data':
+ return 'The relaxation data'
+ if name == 'relax_error':
+ return 'The relaxation data errors'
+
+
def return_value(i, data_type):
"""Function for returning the value and error corresponding to
'data_type'."""
Modified: 1.3/specific_fns/model_free/main.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/main.py?rev=6449&r1=6448&r2=6449&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/main.py (original)
+++ 1.3/specific_fns/model_free/main.py Sun Jun 22 23:07:16 2008
@@ -1840,6 +1840,71 @@
return 1.0
+ def return_data_desc(self, name):
+ """Return a description of the spin specific object.
+
+ @param name: The name of the spin specific object.
+ @type name: str
+ """
+
+ # Model-free specific objects.
+ if name == 'select':
+ return 'The spin selection flag'
+ if name == 'fixed':
+ return 'The fixed flag'
+ if name == 'proton_type':
+ return 'The proton spin type'
+ if name == 'heteronuc_type':
+ return 'The heteronucleus spin type'
+ if name == 'attached_proton':
+ return None
+ if name == 'nucleus':
+ return None
+ if name == 'model':
+ return 'The model'
+ if name == 'equation':
+ return 'The model equation'
+ if name == 'params':
+ return 'The model parameters'
+ if name == 's2':
+ return 'S2, the model-free generalised order parameter (S2 =
S2f.S2s)'
+ if name == 's2f':
+ return 'S2f, the faster motion model-free generalised order
parameter'
+ if name == 's2s':
+ return 'S2s, the slower motion model-free generalised order
parameter'
+ if name == 'local_tm':
+ return 'The spin specific global correlation time (ns)'
+ if name == 'te':
+ return 'Single motion effective internal correlation time (ps)'
+ if name == 'tf':
+ return 'Faster motion effective internal correlation time (ps)'
+ if name == 'ts':
+ return 'Slower motion effective internal correlation time (ps)'
+ if name == 'rex':
+ return 'Chemical exchange relaxation'
+ if name == 'r':
+ return 'Bond length'
+ if name == 'csa':
+ return 'Chemical shift anisotropy'
+ if name == 'chi2':
+ return 'Chi-squared value'
+ if name == 'iter':
+ return 'Optimisation iterations'
+ if name == 'f_count':
+ return 'Number of function calls'
+ if name == 'g_count':
+ return 'Number of gradient calls'
+ if name == 'h_count':
+ return 'Number of Hessian calls'
+ if name == 'warning':
+ return 'Optimisation warning'
+ if name == 'xh_vect':
+ return 'XH bond vector'
+
+ # Ok, try the relaxation data specific objects.
+ return relax_data.return_data_desc(name)
+
+
def return_data_name(self, name):
"""
Model-free data type string matching patterns
r6449 - in /1.3: data/mol_res_spin.py generic_fns/relax_data.py specific_fns/model_free/main.py