Author: bugman
Date: Mon Feb 24 12:17:22 2014
New Revision: 22275
URL: http://svn.gna.org/viewcvs/relax?rev=22275&view=rev
Log:
Fixes for all of the Relax_disp system tests for the changes to the
dispersion auto-analysis.
The automatically created pipe names now include the pipe bundle name to make
them unique, so the
system tests have been updated to match this behaviour.
Modified:
trunk/test_suite/system_tests/relax_disp.py
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=22275&r1=22274&r2=22275&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Mon Feb 24 12:17:22 2014
@@ -90,20 +90,21 @@
self.interpreter.spin.isotope('15N')
# Create the R2eff data pipe and load the results.
- self.interpreter.pipe.create(pipe_name='R2eff',
pipe_type='relax_disp')
- self.interpreter.pipe.switch(pipe_name='R2eff')
+ self.interpreter.pipe.create(pipe_name='R2eff - relax_disp',
pipe_type='relax_disp')
+ self.interpreter.pipe.switch(pipe_name='R2eff - relax_disp')
self.interpreter.results.read(data_path+sep+'r2eff_pipe')
self.interpreter.deselect.spin(':4')
# The model data pipe.
- self.interpreter.pipe.copy(pipe_from='base pipe', pipe_to=model,
bundle_to='relax_disp')
- self.interpreter.pipe.switch(pipe_name=model)
+ 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)
# Set the model.
self.interpreter.relax_disp.select_model(model=model)
# Copy the data.
- self.interpreter.value.copy(pipe_from='R2eff', pipe_to=model,
param='r2eff')
+ self.interpreter.value.copy(pipe_from='R2eff - relax_disp',
pipe_to=pipe_name, param='r2eff')
def setup_kteilum_fmpoulsen_makke_cpmg_data(self, model=None,
expfolder=None):
@@ -124,14 +125,15 @@
self.interpreter.results.read(data_path+sep+'r2eff_pipe_trunc')
# The model data pipe.
- self.interpreter.pipe.copy(pipe_from='base pipe', pipe_to=model,
bundle_to='relax_disp')
- self.interpreter.pipe.switch(pipe_name=model)
+ 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)
# Set the model.
self.interpreter.relax_disp.select_model(model=model)
# Copy the data.
- self.interpreter.value.copy(pipe_from='R2eff', pipe_to=model,
param='r2eff')
+ self.interpreter.value.copy(pipe_from='R2eff', pipe_to=pipe_name,
param='r2eff')
def setup_korzhnev_2005_data(self, data_list=[]):
@@ -360,7 +362,7 @@
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')
+ self.interpreter.pipe.switch('DPL94 - relax_disp')
spin_index = 0
for spin, spin_id in spin_loop(return_id=True):
# Printout.
@@ -558,7 +560,7 @@
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')
+ self.interpreter.pipe.switch(pipe_name='No Rex - relax_disp')
spin70 = return_spin(":70")
spin71 = return_spin(":71")
print("\n\nOptimised parameters:\n")
@@ -574,7 +576,7 @@
self.assertAlmostEqual(spin71.chi2, 3908.00127830003, 3)
# The 'LM63' model checks.
- self.interpreter.pipe.switch(pipe_name='LM63')
+ self.interpreter.pipe.switch(pipe_name='LM63 - relax_disp')
spin70 = return_spin(":70")
spin71 = return_spin(":71")
print("\n\nOptimised parameters:\n")
@@ -596,7 +598,7 @@
self.assertAlmostEqual(spin71.chi2, 17.0776426190574, 3)
# The 'CR72' model checks.
- self.interpreter.pipe.switch(pipe_name='CR72')
+ self.interpreter.pipe.switch(pipe_name='CR72 - relax_disp')
spin70 = return_spin(":70")
spin71 = return_spin(":71")
print("\n\nOptimised parameters:\n")
@@ -643,7 +645,7 @@
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')
+ self.interpreter.pipe.switch(pipe_name='No Rex - relax_disp')
spin70 = return_spin(":70")
spin71 = return_spin(":71")
print("\n\nOptimised parameters:\n")
@@ -659,7 +661,7 @@
self.assertAlmostEqual(spin71.chi2/10000, 3908.00127830003/10000, 3)
# The 'CR72' model checks.
- self.interpreter.pipe.switch(pipe_name='CR72')
+ self.interpreter.pipe.switch(pipe_name='CR72 - relax_disp')
spin70 = return_spin(":70")
spin71 = return_spin(":71")
print("\n\nOptimised parameters:\n")
@@ -684,7 +686,7 @@
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')
+ self.interpreter.pipe.switch(pipe_name='NS CPMG 2-site expanded -
relax_disp')
spin70 = return_spin(":70")
spin71 = return_spin(":71")
print("\n\nOptimised parameters:\n")
@@ -709,7 +711,7 @@
self.assertAlmostEqual(spin71.chi2, 15.1644904768219, 3)
# The final data pipe checks.
- self.interpreter.pipe.switch(pipe_name='final')
+ self.interpreter.pipe.switch(pipe_name='final - relax_disp')
spin70 = return_spin(":70")
spin71 = return_spin(":71")
self.assertEqual(spin70.model, 'NS CPMG 2-site expanded')
@@ -739,7 +741,7 @@
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')
+ self.interpreter.pipe.switch(pipe_name='No Rex - relax_disp')
spin70 = return_spin(":70")
spin71 = return_spin(":71")
print("\n\nOptimised parameters:\n")
@@ -755,7 +757,7 @@
self.assertAlmostEqual(spin71.chi2, 3908.00127830003, 3)
# The 'LM63' model checks.
- self.interpreter.pipe.switch(pipe_name='LM63')
+ self.interpreter.pipe.switch(pipe_name='LM63 - relax_disp')
spin70 = return_spin(":70")
spin71 = return_spin(":71")
print("\n\nOptimised parameters:\n")
@@ -777,7 +779,7 @@
self.assertAlmostEqual(spin71.chi2, 17.0776426190574, 3)
# The 'CR72' model checks.
- self.interpreter.pipe.switch(pipe_name='CR72')
+ self.interpreter.pipe.switch(pipe_name='CR72 - relax_disp')
spin70 = return_spin(":70")
spin71 = return_spin(":71")
print("\n\nOptimised parameters:\n")
@@ -825,7 +827,7 @@
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')
+ self.interpreter.pipe.switch(pipe_name='No Rex - relax_disp')
spin4 = return_spin(":4")
spin70 = return_spin(":70")
spin71 = return_spin(":71")
@@ -844,7 +846,7 @@
self.assertAlmostEqual(spin71.chi2, 127.636629246204, 3)
# The 'CR72' model checks.
- self.interpreter.pipe.switch(pipe_name='CR72')
+ self.interpreter.pipe.switch(pipe_name='CR72 - relax_disp')
spin4 = return_spin(":4")
spin70 = return_spin(":70")
spin71 = return_spin(":71")
@@ -2347,7 +2349,7 @@
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')
+ self.interpreter.pipe.switch('R2eff - relax_disp')
spin_index = 0
for spin, spin_id in spin_loop(return_id=True):
# Printout.
@@ -2364,7 +2366,7 @@
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')
+ self.interpreter.pipe.switch('M61 - relax_disp')
spin_index = 0
for spin, spin_id in spin_loop(return_id=True):
# Printout.
@@ -2401,7 +2403,7 @@
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')
+ self.interpreter.pipe.switch('R2eff - relax_disp')
spin_index = 0
for spin, spin_id in spin_loop(return_id=True):
# Printout.
@@ -2418,7 +2420,7 @@
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')
+ self.interpreter.pipe.switch('M61 - relax_disp')
spin_index = 0
for spin, spin_id in spin_loop(return_id=True):
# Printout.
@@ -2450,7 +2452,7 @@
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(MODEL_M61B)
+ self.interpreter.pipe.switch("%s - relax_disp" % MODEL_M61B)
spin_index = 0
for spin, spin_id in spin_loop(return_id=True):
# Printout.
@@ -2898,8 +2900,9 @@
# The model data pipe.
model = 'MMQ CR72'
- self.interpreter.pipe.copy(pipe_from='base pipe', pipe_to=model,
bundle_to='relax_disp')
- self.interpreter.pipe.switch(pipe_name=model)
+ 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)
# Set the model.
self.interpreter.relax_disp.select_model(model=model)
@@ -2908,7 +2911,7 @@
self.interpreter.relax_disp.cluster(cluster_id='all',
spin_id=":135-137")
# Copy the data.
- self.interpreter.value.copy(pipe_from='R2eff', pipe_to=model,
param='r2eff')
+ self.interpreter.value.copy(pipe_from='R2eff', pipe_to=pipe_name,
param='r2eff')
# Alias the spins.
spin135S = cdp.mol[0].res[0].spin[0]
@@ -3023,8 +3026,9 @@
# The model data pipe.
model = 'NS MMQ 2-site'
- self.interpreter.pipe.copy(pipe_from='base pipe', pipe_to=model,
bundle_to='relax_disp')
- self.interpreter.pipe.switch(pipe_name=model)
+ 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)
# Set the model.
self.interpreter.relax_disp.select_model(model=model)
@@ -3033,7 +3037,7 @@
self.interpreter.relax_disp.cluster(cluster_id='all',
spin_id=":135-137")
# Copy the data.
- self.interpreter.value.copy(pipe_from='R2eff', pipe_to=model,
param='r2eff')
+ self.interpreter.value.copy(pipe_from='R2eff', pipe_to=pipe_name,
param='r2eff')
# Alias the spins.
spin135S = cdp.mol[0].res[0].spin[0]
@@ -3132,14 +3136,15 @@
# The model data pipe.
model = 'NS R1rho 2-site'
- self.interpreter.pipe.copy(pipe_from='base pipe', pipe_to=model,
bundle_to='relax_disp')
- self.interpreter.pipe.switch(pipe_name=model)
+ 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)
# Set the model.
self.interpreter.relax_disp.select_model(model=model)
# Copy the data.
- self.interpreter.value.copy(pipe_from='R2eff', pipe_to=model,
param='r2eff')
+ self.interpreter.value.copy(pipe_from='R2eff', pipe_to=pipe_name,
param='r2eff')
# Alias the spins.
spin1 = cdp.mol[0].res[0].spin[0]
@@ -3231,7 +3236,7 @@
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')
+ self.interpreter.pipe.switch('MP05 - relax_disp')
spin_index = 0
for spin, spin_id in spin_loop(return_id=True):
# Printout.
@@ -3291,7 +3296,7 @@
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')
+ self.interpreter.pipe.switch('TAP03 - relax_disp')
spin_index = 0
for spin, spin_id in spin_loop(return_id=True):
# Printout.
@@ -3329,7 +3334,7 @@
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')
+ self.interpreter.pipe.switch('TP02 - relax_disp')
spin_index = 0
for spin, spin_id in spin_loop(return_id=True):
# Printout.
r22275 - /trunk/test_suite/system_tests/relax_disp.py