Author: tlinnet
Date: Fri Dec 5 17:38:49 2014
New Revision: 26964
URL: http://svn.gna.org/viewcvs/relax?rev=26964&view=rev
Log:
Removing the automatic function for error analysis per field in the
auto_analysis of relax_disp.
This function is moved into pipe_control/spectrum.py.
Modified:
trunk/auto_analyses/relax_disp.py
Modified: trunk/auto_analyses/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/auto_analyses/relax_disp.py?rev=26964&r1=26963&r2=26964&view=diff
==============================================================================
--- trunk/auto_analyses/relax_disp.py (original)
+++ trunk/auto_analyses/relax_disp.py Fri Dec 5 17:38:49 2014
@@ -38,8 +38,9 @@
from lib.warnings import RelaxWarning
from pipe_control.mol_res_spin import return_spin, spin_loop
from pipe_control.pipes import has_pipe
+from pipe_control.spectrum import error_analysis_per_field
from prompt.interpreter import Interpreter
-from specific_analyses.relax_disp.data import has_exponential_exp_type,
has_cpmg_exp_type, has_fixed_time_exp_type, has_r1rho_exp_type,
is_r1_optimised, loop_frq
+from specific_analyses.relax_disp.data import has_exponential_exp_type,
has_cpmg_exp_type, has_fixed_time_exp_type, has_r1rho_exp_type, is_r1_optimised
from specific_analyses.relax_disp.data import INTERPOLATE_DISP,
INTERPOLATE_OFFSET, X_AXIS_DISP, X_AXIS_W_EFF, X_AXIS_THETA, Y_AXIS_R2_R1RHO,
Y_AXIS_R2_EFF
from specific_analyses.relax_disp.model import nesting_model, nesting_param
from status import Status; status = Status()
@@ -220,49 +221,6 @@
warn(RelaxWarning("This could make the numerical analysis
with model '%s', 5 to 6 times slower." % (model)))
- def error_analysis(self):
- """Perform an error analysis of the peak intensities for each field
strength separately."""
-
- # Printout.
- section(file=sys.stdout, text="Error analysis", prespace=2)
-
- # Check if intensity errors have already been calculated by the user.
- precalc = True
- for spin in spin_loop(skip_desel=True):
- # No structure.
- if not hasattr(spin, 'peak_intensity_err'):
- precalc = False
- break
-
- # Determine if a spectrum ID is missing from the list.
- for id in cdp.spectrum_ids:
- if id not in spin.peak_intensity_err:
- precalc = False
- break
-
- # Skip.
- if precalc:
- print("Skipping the error analysis as it has already been
performed.")
- return
-
- # Loop over the spectrometer frequencies.
- for frq in loop_frq():
- # Generate a list of spectrum IDs matching the frequency.
- ids = []
- for id in cdp.spectrum_ids:
- # Check that the spectrometer frequency matches.
- match_frq = True
- if frq != None and cdp.spectrometer_frq[id] != frq:
- match_frq = False
-
- # Add the ID.
- if match_frq:
- ids.append(id)
-
- # Run the error analysis on the subset.
- self.interpreter.spectrum.error_analysis(subset=ids)
-
-
def name_pipe(self, prefix):
"""Generate a unique name for the data pipe.
@@ -567,7 +525,7 @@
# Peak intensity error analysis.
if MODEL_R2EFF in self.models:
- self.error_analysis()
+ error_analysis_per_field()
# R1 parameter fitting.
if self.r1_fit:
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