Author: bugman
Date: Tue May 29 12:42:59 2012
New Revision: 16507
URL: http://svn.gna.org/viewcvs/relax?rev=16507&view=rev
Log:
Removed a number of specific API methods from the model-free analysis.
These are now provided by the base class.
Modified:
branches/uf_redesign/specific_fns/model_free/main.py
Modified: branches/uf_redesign/specific_fns/model_free/main.py
URL:
http://svn.gna.org/viewcvs/relax/branches/uf_redesign/specific_fns/model_free/main.py?rev=16507&r1=16506&r2=16507&view=diff
==============================================================================
--- branches/uf_redesign/specific_fns/model_free/main.py (original)
+++ branches/uf_redesign/specific_fns/model_free/main.py Tue May 29 12:42:59
2012
@@ -1236,126 +1236,6 @@
# If the name is not in 'data_cont', add it.
if not hasattr(data_cont, name):
setattr(data_cont, name, init_data)
-
-
- def xdata_names(self, set='all', error_names=False, sim_names=False):
- """Return a list of all spin container specific model-free object
names.
-
- Description
- ===========
-
- The names are as follows:
-
- - 'model', the model-free model name.
- - 'equation', the model-free equation type.
- - 'params', an array of the model-free parameter names
associated with the model.
- - 's2', S2.
- - 's2f', S2f.
- - 's2s', S2s.
- - 'local_tm', local tm.
- - 'te', te.
- - 'tf', tf.
- - 'ts', ts.
- - 'rex', Rex.
- - 'r', bond length.
- - 'csa', CSA value.
- - 'nucleus', the heteronucleus type.
- - 'chi2', chi-squared value.
- - 'iter', iterations.
- - 'f_count', function count.
- - 'g_count', gradient count.
- - 'h_count', hessian count.
- - 'warning', minimisation warning.
-
-
- @keyword set: The set of object names to return. This can
be set to 'all' for all
- names, to 'generic' for generic object
names, 'params' for
- model-free parameter names, or to 'min' for
minimisation specific
- object names.
- @type set: str
- @keyword error_names: A flag which if True will add the error
object names as well.
- @type error_names: bool
- @keyword sim_names: A flag which if True will add the Monte
Carlo simulation object
- names as well.
- @type sim_names: bool
- @return: The list of object names.
- @rtype: list of str
- """
-
- # Initialise.
- names = []
-
- # Generic.
- if set == 'all' or set == 'generic':
- names.append('select')
- names.append('fixed')
- names.append('proton_type')
- names.append('heteronuc_type')
- names.append('attached_proton')
- names.append('nucleus')
- names.append('model')
- names.append('equation')
- names.append('params')
- names.append('xh_vect')
-
- # Parameters.
- if set == 'all' or set == 'params':
- names.append('s2')
- names.append('s2f')
- names.append('s2s')
- names.append('local_tm')
- names.append('te')
- names.append('tf')
- names.append('ts')
- names.append('rex')
- names.append('r')
- names.append('csa')
-
- # Minimisation statistics.
- if set == 'all' or set == 'min':
- names.append('chi2')
- names.append('iter')
- names.append('f_count')
- names.append('g_count')
- names.append('h_count')
- names.append('warning')
-
- # Relaxation data.
- if set == 'all':
- names = names + relax_data.get_data_names()
-
- # Parameter errors.
- if error_names and (set == 'all' or set == 'params'):
- names.append('s2_err')
- names.append('s2f_err')
- names.append('s2s_err')
- names.append('local_tm_err')
- names.append('te_err')
- names.append('tf_err')
- names.append('ts_err')
- names.append('rex_err')
- names.append('r_err')
- names.append('csa_err')
-
- # Parameter simulation values.
- if sim_names and (set == 'all' or set == 'params'):
- names.append('s2_sim')
- names.append('s2f_sim')
- names.append('s2s_sim')
- names.append('local_tm_sim')
- names.append('te_sim')
- names.append('tf_sim')
- names.append('ts_sim')
- names.append('rex_sim')
- names.append('r_sim')
- names.append('csa_sim')
-
- # Relaxation data simulation values.
- if sim_names and set == 'all':
- names = names + relax_data.get_data_names(sim_names=True)
-
- # Return the names.
- return names
def data_type(self, param=None):
@@ -2074,23 +1954,6 @@
elif need_vect and spin.xh_vect == None:
warn(RelaxDeselectWarning(spin_id, 'missing structural
data'))
spin.select = False
-
-
- 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
- @return: The object description, or None.
- @rtype: str or None
- """
-
- # Spin parameter.
- if self.SPIN_PARAMS.contains(name):
- return self.SPIN_PARAMS.get_desc(name)
-
- # Otherwise try the relaxation data specific objects.
- return relax_data.return_data_desc(name)
return_data_name_doc = ["Model-free data type string matching patterns",
"""
@@ -2126,24 +1989,6 @@
"""]
- def return_data_name(self, param):
- """Return a unique identifying string for the model-free parameter.
-
- @param param: The model-free parameter name.
- @type param: str
- @return: The unique parameter identifying string.
- @rtype: str
- """
-
- # Diffusion tensor parameters.
- diff_obj = diffusion_tensor.return_data_name(param)
- if diff_obj:
- return param
-
- # Spin parameter.
- if self.SPIN_PARAMS.contains(param):
- return param
-
set_doc = ["Model-free set details", """
Setting a parameter value may have no effect depending on which
model-free model is chosen, for example if S2f values and S2s values are set
but the run corresponds to model-free model 'm4' then, because these data
values are not parameters of the model, they will have no effect.
r16507 - /branches/uf_redesign/specific_fns/model_free/main.py