Author: tlinnet Date: Wed Jun 18 16:03:46 2014 New Revision: 24093 URL: http://svn.gna.org/viewcvs/relax?rev=24093&view=rev Log: Changes to profiling script of ns_cpmg_2site_expanded. The model does not have r20a and r20b, but only r2. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. Modified: branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_cpmg_2site_expanded.py Modified: branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_cpmg_2site_expanded.py URL: http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_cpmg_2site_expanded.py?rev=24093&r1=24092&r2=24093&view=diff ============================================================================== --- branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_cpmg_2site_expanded.py (original) +++ branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_cpmg_2site_expanded.py Wed Jun 18 16:03:46 2014 @@ -442,7 +442,7 @@ """ # Instantiate class - C1 = Profile(num_spins=num_spins, model=model, r2a=5.0, r2b=10.0, dw=3.0, pA=0.9, kex=1000.0, spins_params=['r2a', 'r2b', 'dw', 'pA', 'kex']) + C1 = Profile(num_spins=num_spins, model=model, r2=5.0, dw=3.0, pA=0.9, kex=1000.0, spins_params=['r2', 'dw', 'pA', 'kex']) # Loop 100 times for each spin in the clustered analysis (to make the timing numbers equivalent). for spin_index in xrange(100): @@ -466,7 +466,7 @@ """ # Instantiate class - C1 = Profile(num_spins=num_spins, model=model, r2a=5.0, r2b=10.0, dw=3.0, pA=0.9, kex=1000.0, spins_params=['r2a', 'r2b', 'dw', 'pA', 'kex']) + C1 = Profile(num_spins=num_spins, model=model, r2=5.0, dw=3.0, pA=0.9, kex=1000.0, spins_params=['r2', 'dw', 'pA', 'kex']) # Repeat the function call, to simulate minimisation. for i in xrange(iter): @@ -477,38 +477,3 @@ # Execute main function. if __name__ == "__main__": main() - -def test_reshape(): - C1 = Profile(num_spins=1, model=MODEL_NS_CPMG_2SITE_EXPANDED, r2a=5.0, r2b=10.0, dw=3.0, pA=0.9, kex=1000.0, spins_params=['r2a', 'r2b', 'dw', 'pA', 'kex']) - end_index = C1.model.end_index - #print("end_index:", end_index) - num_spins = C1.model.num_spins - #print("num_spins:", num_spins) - num_frq = C1.model.num_frq - #print("num_frq:", num_frq) - params = C1.params - #print("params", params) - - R20 = params[:end_index[1]].reshape(num_spins*2, num_frq) - R20A = R20[::2].flatten() - R20B = R20[1::2].flatten() - dw = params[end_index[1]:end_index[2]] - pA = params[end_index[2]] - kex = params[end_index[2]+1] - print("R20A", R20A, len(R20A)) - print("R20B", R20B, len(R20B)) - print("dw", dw, len(dw)) - print("dw", pA) - print("kex", kex) - - for si in range(num_spins): - for mi in range(num_frq): - r20_index = mi + si*num_frq - r20a=R20A[r20_index] - r20b=R20B[r20_index] - print("r20a", r20a, "r20b", r20b) - - model = C1.calc(params) - print(model) - -#test_reshape()