Author: tlinnet Date: Fri Jun 27 17:12:25 2014 New Revision: 24349 URL: http://svn.gna.org/viewcvs/relax?rev=24349&view=rev Log: Replaced all self.spins with self.NS in target function. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. Modified: branches/disp_spin_speed/target_functions/relax_disp.py Modified: branches/disp_spin_speed/target_functions/relax_disp.py URL: http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/target_functions/relax_disp.py?rev=24349&r1=24348&r2=24349&view=diff ============================================================================== --- branches/disp_spin_speed/target_functions/relax_disp.py (original) +++ branches/disp_spin_speed/target_functions/relax_disp.py Fri Jun 27 17:12:25 2014 @@ -184,7 +184,6 @@ # Store the arguments. self.model = model self.num_params = num_params - self.num_spins = num_spins self.num_frq = num_frq self.exp_types = exp_types self.scaling_matrix = scaling_matrix @@ -197,7 +196,7 @@ # The total numbers of experiments, number of spins, number of magnetic field strength, maximum number of offsets, maximum number of dispersion point. self.num_exp = len(self.exp_types) self.NE = self.num_exp - self.NS = self.num_spins + self.NS = num_spins self.NM = self.num_frq # The number of offsets points can vary. We need to find the maximum elements in the numpy array list. @@ -394,21 +393,21 @@ self.end_index = [] # The spin and frequency dependent R2 parameters. - self.end_index.append(self.num_exp * self.num_spins * self.num_frq) + self.end_index.append(self.num_exp * self.NS * self.num_frq) if model in [MODEL_B14_FULL, MODEL_CR72_FULL, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR_FULL]: - self.end_index.append(2 * self.num_exp * self.num_spins * self.num_frq) + self.end_index.append(2 * self.num_exp * self.NS * self.num_frq) # The spin and dependent parameters (phi_ex, dw, padw2). - self.end_index.append(self.end_index[-1] + self.num_spins) + self.end_index.append(self.end_index[-1] + self.NS) if model in [MODEL_IT99, MODEL_LM63_3SITE, MODEL_MMQ_CR72, MODEL_NS_MMQ_2SITE]: - self.end_index.append(self.end_index[-1] + self.num_spins) + self.end_index.append(self.end_index[-1] + self.NS) elif model in [MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR]: - self.end_index.append(self.end_index[-1] + self.num_spins) - self.end_index.append(self.end_index[-1] + self.num_spins) + self.end_index.append(self.end_index[-1] + self.NS) + self.end_index.append(self.end_index[-1] + self.NS) elif model in [MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR]: - self.end_index.append(self.end_index[-1] + self.num_spins) - self.end_index.append(self.end_index[-1] + self.num_spins) - self.end_index.append(self.end_index[-1] + self.num_spins) + self.end_index.append(self.end_index[-1] + self.NS) + self.end_index.append(self.end_index[-1] + self.NS) + self.end_index.append(self.end_index[-1] + self.NS) # Pi-pulse propagators. if model in [MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL]: @@ -895,7 +894,7 @@ params = dot(params, self.scaling_matrix) # Unpack the parameter values. - R20 = params[:self.end_index[1]].reshape(self.num_spins*2, self.num_frq) + R20 = params[:self.end_index[1]].reshape(self.NS*2, self.num_frq) R20A = R20[::2].flatten() R20B = R20[1::2].flatten() dw = params[self.end_index[1]:self.end_index[2]] @@ -949,7 +948,7 @@ params = dot(params, self.scaling_matrix) # Unpack the parameter values. - R20 = params[:self.end_index[1]].reshape(self.num_spins*2, self.num_frq) + R20 = params[:self.end_index[1]].reshape(self.NS*2, self.num_frq) R20A = R20[::2].flatten() R20B = R20[1::2].flatten() dw = params[self.end_index[1]:self.end_index[2]] @@ -1372,7 +1371,7 @@ params = dot(params, self.scaling_matrix) # Unpack the parameter values. - R20 = params[:self.end_index[1]].reshape(self.num_spins*2, self.num_frq) + R20 = params[:self.end_index[1]].reshape(self.NS*2, self.num_frq) R20A = R20[::2].flatten() R20B = R20[1::2].flatten() dw = params[self.end_index[1]:self.end_index[2]] @@ -1463,7 +1462,7 @@ params = dot(params, self.scaling_matrix) # Unpack the parameter values. - R20 = params[:self.end_index[1]].reshape(self.num_spins*2, self.num_frq) + R20 = params[:self.end_index[1]].reshape(self.NS*2, self.num_frq) R20A = R20[::2].flatten() R20B = R20[1::2].flatten() dw = params[self.end_index[1]:self.end_index[2]]