Author: bugman Date: Thu Sep 4 15:17:56 2014 New Revision: 25623 URL: http://svn.gna.org/viewcvs/relax?rev=25623&view=rev Log: Updated the dispersion model profiling scripts to handle new relax versions. The relaxation time data structure is now being set up differently if relax 3.2.3 or earlier versions are being used compared to the trunk or new versions. This allows the scripts to run on all relax versions. Modified: trunk/test_suite/shared_data/dispersion/profiling/base.py trunk/test_suite/shared_data/dispersion/profiling/profiling_it99.py Modified: trunk/test_suite/shared_data/dispersion/profiling/base.py URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/dispersion/profiling/base.py?rev=25623&r1=25622&r2=25623&view=diff ============================================================================== --- trunk/test_suite/shared_data/dispersion/profiling/base.py (original) +++ trunk/test_suite/shared_data/dispersion/profiling/base.py Thu Sep 4 15:17:56 2014 @@ -57,6 +57,7 @@ from compat_profiling import g1H, g15N from target_functions.relax_disp import Dispersion from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG_MQ, EXP_TYPE_CPMG_SQ +from version import version # Module variables. @@ -244,8 +245,21 @@ chemical_shifts, offsets, tilt_angles, Delta_omega, w_eff = self.return_offset_data() r1 = ones([self.num_spins, self.fields.shape[0]]) + # relax version compatibility. + self.relax_times_compat = self.relax_times + if version == 'repository checkout' or version_comparison(version, '3.2.3') <= 0: + self.relax_times_compat = [] + for ei in range(len(self.exp_type)): + self.relax_times_compat.append([]) + for mi in range(len(self.fields)): + self.relax_times_compat[ei].append([]) + for oi in range(len(self.offsets)): + self.relax_times_compat[ei][mi].append([]) + for di in range(len(self.points[mi])): + self.relax_times_compat[ei][mi][oi].append(self.relax_times.tolist()) + # Init the Dispersion class. - self.model = Dispersion(model=self.model, num_params=None, num_spins=self.num_spins, num_frq=len(self.fields), exp_types=exp_types, values=values, errors=errors, missing=missing, frqs=frqs, frqs_H=frqs_H, cpmg_frqs=cpmg_frqs, spin_lock_nu1=spin_lock_nu1, chemical_shifts=chemical_shifts, offset=offsets, tilt_angles=tilt_angles, r1=r1, relax_times=relax_times, scaling_matrix=None) + self.model = Dispersion(model=self.model, num_params=None, num_spins=self.num_spins, num_frq=len(self.fields), exp_types=exp_types, values=values, errors=errors, missing=missing, frqs=frqs, frqs_H=frqs_H, cpmg_frqs=cpmg_frqs, spin_lock_nu1=spin_lock_nu1, chemical_shifts=chemical_shifts, offset=offsets, tilt_angles=tilt_angles, r1=r1, relax_times=self.relax_times_compat, scaling_matrix=None) def return_offset_data(self): Modified: trunk/test_suite/shared_data/dispersion/profiling/profiling_it99.py URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/dispersion/profiling/profiling_it99.py?rev=25623&r1=25622&r2=25623&view=diff ============================================================================== --- trunk/test_suite/shared_data/dispersion/profiling/profiling_it99.py (original) +++ trunk/test_suite/shared_data/dispersion/profiling/profiling_it99.py Thu Sep 4 15:17:56 2014 @@ -31,7 +31,7 @@ # Setup. SINGLE = Profile(exp_type=[EXP_TYPE_CPMG_SQ], num_spins=NUM_SPINS_SINGLE, model=MODEL_IT99, r2=5.0, dw=3.0, pA=0.9, tex=1/1000.0, spins_params=['r2', 'dw', 'pA', 'tex']) num_spins = NUM_SPINS_CLUSTER -if version_comparison(version, '3.2.2') != 1: +if version != 'repository checkout' and version_comparison(version, '3.2.2') != 1: num_spins = NUM_SPINS_SINGLE print("WARNING: Cluster of only 1 spin analysis, since v. 3.2.2 had a bug with clustering analysis.") CLUSTER = Profile(exp_type=[EXP_TYPE_CPMG_SQ], num_spins=num_spins, model=MODEL_IT99, r2=5.0, dw=3.0, pA=0.9, tex=1/1000.0, spins_params=['r2', 'dw', 'pA', 'tex'])