Author: bugman Date: Mon Feb 24 12:15:03 2014 New Revision: 22273 URL: http://svn.gna.org/viewcvs/relax?rev=22273&view=rev Log: Reverted commit r22272 as too much was committed. The command used was: svn merge -r22272:22271 . Modified: trunk/data_store/mol_res_spin.py trunk/test_suite/system_tests/relax_disp.py Modified: trunk/data_store/mol_res_spin.py URL: http://svn.gna.org/viewcvs/relax/trunk/data_store/mol_res_spin.py?rev=22273&r1=22272&r2=22273&view=diff ============================================================================== --- trunk/data_store/mol_res_spin.py (original) +++ trunk/data_store/mol_res_spin.py Mon Feb 24 12:15:03 2014 @@ -317,6 +317,7 @@ """ # Get the specific functions. + print `pipe_type` data_names = specific_analyses.setup.get_specific_fn('data_names', pipe_type, raise_error=False) return_data_desc = specific_analyses.setup.get_specific_fn('return_data_desc', pipe_type, raise_error=False) Modified: trunk/test_suite/system_tests/relax_disp.py URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/relax_disp.py?rev=22273&r1=22272&r2=22273&view=diff ============================================================================== --- trunk/test_suite/system_tests/relax_disp.py (original) +++ trunk/test_suite/system_tests/relax_disp.py Mon Feb 24 12:15:03 2014 @@ -90,21 +90,20 @@ self.interpreter.spin.isotope('15N') # Create the R2eff data pipe and load the results. - self.interpreter.pipe.create(pipe_name='R2eff - relax_disp', pipe_type='relax_disp') - self.interpreter.pipe.switch(pipe_name='R2eff - relax_disp') + self.interpreter.pipe.create(pipe_name='R2eff', pipe_type='relax_disp') + self.interpreter.pipe.switch(pipe_name='R2eff') self.interpreter.results.read(data_path+sep+'r2eff_pipe') self.interpreter.deselect.spin(':4') # The model data pipe. - pipe_name = "%s - relax_disp" % model - self.interpreter.pipe.copy(pipe_from='base pipe', pipe_to=pipe_name, bundle_to='relax_disp') - self.interpreter.pipe.switch(pipe_name=pipe_name) + self.interpreter.pipe.copy(pipe_from='base pipe', pipe_to=model, bundle_to='relax_disp') + self.interpreter.pipe.switch(pipe_name=model) # Set the model. self.interpreter.relax_disp.select_model(model=model) # Copy the data. - self.interpreter.value.copy(pipe_from='R2eff - relax_disp', pipe_to=pipe_name, param='r2eff') + self.interpreter.value.copy(pipe_from='R2eff', pipe_to=model, param='r2eff') def setup_kteilum_fmpoulsen_makke_cpmg_data(self, model=None, expfolder=None): @@ -125,15 +124,14 @@ self.interpreter.results.read(data_path+sep+'r2eff_pipe_trunc') # The model data pipe. - pipe_name = "%s - relax_disp" % model - self.interpreter.pipe.copy(pipe_from='base pipe', pipe_to=pipe_name, bundle_to='relax_disp') - self.interpreter.pipe.switch(pipe_name=pipe_name) + self.interpreter.pipe.copy(pipe_from='base pipe', pipe_to=model, bundle_to='relax_disp') + self.interpreter.pipe.switch(pipe_name=model) # Set the model. self.interpreter.relax_disp.select_model(model=model) # Copy the data. - self.interpreter.value.copy(pipe_from='R2eff', pipe_to=pipe_name, param='r2eff') + self.interpreter.value.copy(pipe_from='R2eff', pipe_to=model, param='r2eff') def setup_korzhnev_2005_data(self, data_list=[]): @@ -362,7 +360,7 @@ phi_ex.append(pA * (1.0 - pA) * delta_omega[i]**2) # Switch to the 'DPL94' model data pipe, then check for each spin. - self.interpreter.pipe.switch('DPL94 - relax_disp') + self.interpreter.pipe.switch('DPL94') spin_index = 0 for spin, spin_id in spin_loop(return_id=True): # Printout. @@ -560,7 +558,7 @@ r20_key2 = generate_r20_key(exp_type=EXP_TYPE_CPMG_SQ, frq=800e6) # The 'No Rex' model checks. - self.interpreter.pipe.switch(pipe_name='No Rex - relax_disp') + self.interpreter.pipe.switch(pipe_name='No Rex') spin70 = return_spin(":70") spin71 = return_spin(":71") print("\n\nOptimised parameters:\n") @@ -576,7 +574,7 @@ self.assertAlmostEqual(spin71.chi2, 3908.00127830003, 3) # The 'LM63' model checks. - self.interpreter.pipe.switch(pipe_name='LM63 - relax_disp') + self.interpreter.pipe.switch(pipe_name='LM63') spin70 = return_spin(":70") spin71 = return_spin(":71") print("\n\nOptimised parameters:\n") @@ -598,7 +596,7 @@ self.assertAlmostEqual(spin71.chi2, 17.0776426190574, 3) # The 'CR72' model checks. - self.interpreter.pipe.switch(pipe_name='CR72 - relax_disp') + self.interpreter.pipe.switch(pipe_name='CR72') spin70 = return_spin(":70") spin71 = return_spin(":71") print("\n\nOptimised parameters:\n") @@ -645,7 +643,7 @@ r20_key2 = generate_r20_key(exp_type=EXP_TYPE_CPMG_SQ, frq=800e6) # The 'No Rex' model checks. - self.interpreter.pipe.switch(pipe_name='No Rex - relax_disp') + self.interpreter.pipe.switch(pipe_name='No Rex') spin70 = return_spin(":70") spin71 = return_spin(":71") print("\n\nOptimised parameters:\n") @@ -661,7 +659,7 @@ self.assertAlmostEqual(spin71.chi2/10000, 3908.00127830003/10000, 3) # The 'CR72' model checks. - self.interpreter.pipe.switch(pipe_name='CR72 - relax_disp') + self.interpreter.pipe.switch(pipe_name='CR72') spin70 = return_spin(":70") spin71 = return_spin(":71") print("\n\nOptimised parameters:\n") @@ -686,7 +684,7 @@ self.assertAlmostEqual(spin71.chi2, 15.6595374286822, 3) # The 'NS CPMG 2-site expanded' model checks. - self.interpreter.pipe.switch(pipe_name='NS CPMG 2-site expanded - relax_disp') + self.interpreter.pipe.switch(pipe_name='NS CPMG 2-site expanded') spin70 = return_spin(":70") spin71 = return_spin(":71") print("\n\nOptimised parameters:\n") @@ -711,7 +709,7 @@ self.assertAlmostEqual(spin71.chi2, 15.1644904768219, 3) # The final data pipe checks. - self.interpreter.pipe.switch(pipe_name='final - relax_disp') + self.interpreter.pipe.switch(pipe_name='final') spin70 = return_spin(":70") spin71 = return_spin(":71") self.assertEqual(spin70.model, 'NS CPMG 2-site expanded') @@ -741,7 +739,7 @@ r20_key2 = generate_r20_key(exp_type=EXP_TYPE_CPMG_SQ, frq=800e6) # The 'No Rex' model checks. - self.interpreter.pipe.switch(pipe_name='No Rex - relax_disp') + self.interpreter.pipe.switch(pipe_name='No Rex') spin70 = return_spin(":70") spin71 = return_spin(":71") print("\n\nOptimised parameters:\n") @@ -757,7 +755,7 @@ self.assertAlmostEqual(spin71.chi2, 3908.00127830003, 3) # The 'LM63' model checks. - self.interpreter.pipe.switch(pipe_name='LM63 - relax_disp') + self.interpreter.pipe.switch(pipe_name='LM63') spin70 = return_spin(":70") spin71 = return_spin(":71") print("\n\nOptimised parameters:\n") @@ -779,7 +777,7 @@ self.assertAlmostEqual(spin71.chi2, 17.0776426190574, 3) # The 'CR72' model checks. - self.interpreter.pipe.switch(pipe_name='CR72 - relax_disp') + self.interpreter.pipe.switch(pipe_name='CR72') spin70 = return_spin(":70") spin71 = return_spin(":71") print("\n\nOptimised parameters:\n") @@ -827,7 +825,7 @@ r20_key2 = generate_r20_key(exp_type=EXP_TYPE_CPMG_SQ, frq=800e6) # The 'No Rex' model checks. - self.interpreter.pipe.switch(pipe_name='No Rex - relax_disp') + self.interpreter.pipe.switch(pipe_name='No Rex') spin4 = return_spin(":4") spin70 = return_spin(":70") spin71 = return_spin(":71") @@ -846,7 +844,7 @@ self.assertAlmostEqual(spin71.chi2, 127.636629246204, 3) # The 'CR72' model checks. - self.interpreter.pipe.switch(pipe_name='CR72 - relax_disp') + self.interpreter.pipe.switch(pipe_name='CR72') spin4 = return_spin(":4") spin70 = return_spin(":70") spin71 = return_spin(":71") @@ -2349,7 +2347,7 @@ rates = [[3.59768160399, 2.85730469783, 2.59328084312, 2.47019857325, 2.40310451058, 2.36256876552, 2.33622716364, 2.31815271355, 2.30521680479, 2.29564174079, 2.28835686631], [29.390726416, 26.4292187913, 25.3731233725, 24.880794293, 24.6124180423, 24.4502750621, 24.3449086546, 24.2726108542, 24.2208672192, 24.1825669632, 24.1534274652]] # Switch to the 'R2eff' model data pipe, then check for each spin. - self.interpreter.pipe.switch('R2eff - relax_disp') + self.interpreter.pipe.switch('R2eff') spin_index = 0 for spin, spin_id in spin_loop(return_id=True): # Printout. @@ -2366,7 +2364,7 @@ r20_key1 = generate_r20_key(exp_type=EXP_TYPE_R1RHO, frq=800e6) # Switch to the 'M61' model data pipe, then check for each spin. - self.interpreter.pipe.switch('M61 - relax_disp') + self.interpreter.pipe.switch('M61') spin_index = 0 for spin, spin_id in spin_loop(return_id=True): # Printout. @@ -2403,7 +2401,7 @@ rates = [[3.59768160399, 2.85730469783, 2.59328084312, 2.47019857325, 2.40310451058, 2.36256876552, 2.33622716364, 2.31815271355, 2.30521680479, 2.29564174079, 2.28835686631], [29.390726416, 26.4292187913, 25.3731233725, 24.880794293, 24.6124180423, 24.4502750621, 24.3449086546, 24.2726108542, 24.2208672192, 24.1825669632, 24.1534274652]] # Switch to the 'R2eff' model data pipe, then check for each spin. - self.interpreter.pipe.switch('R2eff - relax_disp') + self.interpreter.pipe.switch('R2eff') spin_index = 0 for spin, spin_id in spin_loop(return_id=True): # Printout. @@ -2420,7 +2418,7 @@ r20_key1 = generate_r20_key(exp_type=EXP_TYPE_R1RHO, frq=800e6) # Switch to the 'M61' model data pipe, then check for each spin. - self.interpreter.pipe.switch('M61 - relax_disp') + self.interpreter.pipe.switch('M61') spin_index = 0 for spin, spin_id in spin_loop(return_id=True): # Printout. @@ -2452,7 +2450,7 @@ r20_key1 = generate_r20_key(exp_type=EXP_TYPE_R1RHO, frq=800e6) # Switch to the 'M61 skew' model data pipe, then check for each spin. - self.interpreter.pipe.switch("%s - relax_disp" % MODEL_M61B) + self.interpreter.pipe.switch(MODEL_M61B) spin_index = 0 for spin, spin_id in spin_loop(return_id=True): # Printout. @@ -2900,9 +2898,8 @@ # The model data pipe. model = 'MMQ CR72' - pipe_name = "%s - relax_disp" % model - self.interpreter.pipe.copy(pipe_from='base pipe', pipe_to=pipe_name, bundle_to='relax_disp') - self.interpreter.pipe.switch(pipe_name=pipe_name) + self.interpreter.pipe.copy(pipe_from='base pipe', pipe_to=model, bundle_to='relax_disp') + self.interpreter.pipe.switch(pipe_name=model) # Set the model. self.interpreter.relax_disp.select_model(model=model) @@ -2911,7 +2908,7 @@ self.interpreter.relax_disp.cluster(cluster_id='all', spin_id=":135-137") # Copy the data. - self.interpreter.value.copy(pipe_from='R2eff', pipe_to=pipe_name, param='r2eff') + self.interpreter.value.copy(pipe_from='R2eff', pipe_to=model, param='r2eff') # Alias the spins. spin135S = cdp.mol[0].res[0].spin[0] @@ -3026,9 +3023,8 @@ # The model data pipe. model = 'NS MMQ 2-site' - pipe_name = "%s - relax_disp" % model - self.interpreter.pipe.copy(pipe_from='base pipe', pipe_to=pipe_name, bundle_to='relax_disp') - self.interpreter.pipe.switch(pipe_name=pipe_name) + self.interpreter.pipe.copy(pipe_from='base pipe', pipe_to=model, bundle_to='relax_disp') + self.interpreter.pipe.switch(pipe_name=model) # Set the model. self.interpreter.relax_disp.select_model(model=model) @@ -3037,7 +3033,7 @@ self.interpreter.relax_disp.cluster(cluster_id='all', spin_id=":135-137") # Copy the data. - self.interpreter.value.copy(pipe_from='R2eff', pipe_to=pipe_name, param='r2eff') + self.interpreter.value.copy(pipe_from='R2eff', pipe_to=model, param='r2eff') # Alias the spins. spin135S = cdp.mol[0].res[0].spin[0] @@ -3136,15 +3132,14 @@ # The model data pipe. model = 'NS R1rho 2-site' - pipe_name = "%s - relax_disp" % model - self.interpreter.pipe.copy(pipe_from='base pipe', pipe_to=pipe_name, bundle_to='relax_disp') - self.interpreter.pipe.switch(pipe_name=pipe_name) + self.interpreter.pipe.copy(pipe_from='base pipe', pipe_to=model, bundle_to='relax_disp') + self.interpreter.pipe.switch(pipe_name=model) # Set the model. self.interpreter.relax_disp.select_model(model=model) # Copy the data. - self.interpreter.value.copy(pipe_from='R2eff', pipe_to=pipe_name, param='r2eff') + self.interpreter.value.copy(pipe_from='R2eff', pipe_to=model, param='r2eff') # Alias the spins. spin1 = cdp.mol[0].res[0].spin[0] @@ -3236,7 +3231,7 @@ print("%-20s %20.15g %20.15g\n" % ("chi2", spin1.chi2, spin2.chi2)) # Switch to the 'MP05' model data pipe, then check for each spin. - self.interpreter.pipe.switch('MP05 - relax_disp') + self.interpreter.pipe.switch('MP05') spin_index = 0 for spin, spin_id in spin_loop(return_id=True): # Printout. @@ -3296,7 +3291,7 @@ print("%-20s %20.15g %20.15g\n" % ("chi2", spin1.chi2, spin2.chi2)) # Switch to the 'MP05' model data pipe, then check for each spin. - self.interpreter.pipe.switch('TAP03 - relax_disp') + self.interpreter.pipe.switch('TAP03') spin_index = 0 for spin, spin_id in spin_loop(return_id=True): # Printout. @@ -3334,7 +3329,7 @@ r20_key2 = generate_r20_key(exp_type=EXP_TYPE_R1RHO, frq=800e6) # Switch to the 'TP02' model data pipe, then check for each spin. - self.interpreter.pipe.switch('TP02 - relax_disp') + self.interpreter.pipe.switch('TP02') spin_index = 0 for spin, spin_id in spin_loop(return_id=True): # Printout.