Fwd: r22294 - in /trunk/specific_analyses/relax_disp: api.py disp_data.py -- February 24, 2014 - 18:40

Hi Edward.

./relax -s 
Relax_disp.test_bug_21665_cpmg_two_fields_two_delaytimes_fail_relax_disp

is now passing the test until now.

But I am unsure how to handle:
./relax -s Relax_disp.test_bug_21665_cpmg_two_fields_two_delaytimes_fail_calc

  File 
"/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/specific_analyses/relax_disp/checks.py",
line 112, in check_exp_type_fixed_time
    raise RelaxError("The experiment '%s' is not of the fixed
relaxation time period data type." % exp_type)
RelaxError: RelaxError: The experiment 'SQ CPMG' is not of the fixed
relaxation time period data type.

------
The code is:

def check_exp_type_fixed_time():
    """Check that only fixed time experiment types have been set up.

    @raises RelaxError: If exponential curves are present.
    """

    # Get the times.
    times = get_times()

    # Loop over all experiment types.
    for exp_type in times:
        if len(times[exp_type]) > 1:
            raise RelaxError("The experiment '%s' is not of the fixed
relaxation time period data type." % exp_type)

And return
{'SQ CPMG': [0.040000000000000001, 0.059999999999999998]}

Should I modify the code to loop over all spectra IDs, and count the
number of times insted for each spectrum?


---------- Forwarded message ----------
From:  <tlinnet@xxxxxxxxxxxxx>
Date: 2014-02-24 18:28 GMT+01:00
Subject: r22294 - in /trunk/specific_analyses/relax_disp: api.py disp_data.py
To: relax-commits@xxxxxxx


Author: tlinnet
Date: Mon Feb 24 18:28:11 2014
New Revision: 22294

URL: http://svn.gna.org/viewcvs/relax?rev=22294&view=rev
Log:
Replacing looping over time points from cdp.relax_time_list to
loop_time(frq=frq).

Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG
analysis with two fields at two delay times.

loop_time has been modified to accept spectrometer frequency as input
to restrict the looping.

Modified:
    trunk/specific_analyses/relax_disp/api.py
    trunk/specific_analyses/relax_disp/disp_data.py

Modified: trunk/specific_analyses/relax_disp/api.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/api.py?rev=22294&r1=22293&r2=22294&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/api.py (original)
+++ trunk/specific_analyses/relax_disp/api.py Mon Feb 24 18:28:11 2014
@@ -149,7 +149,7 @@
         values = []
         errors = []
         times = []
-        for time in cdp.relax_time_list:
+        for time in loop_time(frq=frq):
             # The data.
             values.append(average_intensity(spin=spin,
exp_type=exp_type, frq=frq, offset=offset, point=point, time=time))
             errors.append(average_intensity(spin=spin,
exp_type=exp_type, frq=frq, offset=offset, point=point, time=time,
error=True))
@@ -378,7 +378,7 @@
                 values = []
                 errors = []
                 times = []
-                for time in cdp.relax_time_list:
+                for time in loop_time(frq=frq):
                     values.append(average_intensity(spin=spin,
exp_type=exp_type, frq=frq, offset=offset, point=point, time=time,
sim_index=sim_index))
                     errors.append(average_intensity(spin=spin,
exp_type=exp_type, frq=frq, offset=offset, point=point, time=time,
error=True))
                     times.append(time)
@@ -1373,7 +1373,7 @@

             # Generate the data structure to return.
             errors = []
-            for time in cdp.relax_time_list:
+            for time in loop_time(frq=frq):
                 errors.append(average_intensity(spin=spin,
exp_type=exp_type, frq=frq, offset=offset, point=point, time=time,
error=True))

         # All other models.
@@ -1597,7 +1597,7 @@

             # Loop over each time point.
             ti = 0
-            for time in loop_time():
+            for time in loop_time(frq=frq):
                 # Get the intensity keys.
                 int_keys = find_intensity_keys(exp_type=exp_type,
frq=frq, point=point, time=time)


Modified: trunk/specific_analyses/relax_disp/disp_data.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/disp_data.py?rev=22294&r1=22293&r2=22294&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/disp_data.py (original)
+++ trunk/specific_analyses/relax_disp/disp_data.py Mon Feb 24 18:28:11 2014
@@ -1930,7 +1930,7 @@
                     set_labels.append("Spin %s" % id)

                 # Loop over the relaxation time periods.
-                for time in cdp.relax_time_list:
+                for time in loop_time(frq=frq):
                     # The key.
                     keys = find_intensity_keys(exp_type=exp_type,
frq=frq, point=point, time=time)



_______________________________________________
relax (http://www.nmr-relax.com)

This is the relax-commits mailing list
relax-commits@xxxxxxx

To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-commits