Author: semor
Date: Tue Apr 1 22:45:31 2008
New Revision: 5245
URL: http://svn.gna.org/viewcvs/relax?rev=5245&view=rev
Log:
More changes to the consistency tests code to reflect the model-free changes
of r5220...
Modified:
branches/consistency_tests_1.3/specific_fns/consistency_tests.py
branches/consistency_tests_1.3/test_suite/unit_tests/value_testing_base.py
Modified: branches/consistency_tests_1.3/specific_fns/consistency_tests.py
URL:
http://svn.gna.org/viewcvs/relax/branches/consistency_tests_1.3/specific_fns/consistency_tests.py?rev=5245&r1=5244&r2=5245&view=diff
==============================================================================
--- branches/consistency_tests_1.3/specific_fns/consistency_tests.py
(original)
+++ branches/consistency_tests_1.3/specific_fns/consistency_tests.py Tue Apr
1 22:45:31 2008
@@ -182,7 +182,7 @@
csa: CSA value.
- nucleus: The heteronucleus type.
+ heteronuc_type: The heteronucleus type.
orientation: Angle between the 15N-1H vector and the principal axis
of the 15N chemical
shift tensor.
@@ -203,7 +203,7 @@
# Values.
names.append('r')
names.append('csa')
- names.append('nucleus')
+ names.append('heteronuc_type')
names.append('orientation')
names.append('tc')
@@ -340,7 +340,7 @@
return 'csa'
# Heteronucleus type.
- if search('^[Hh]eteronucleus$', name):
+ if search('^[Hh]eteronuc_type$', name):
return 'heteronuc_type'
# Proton type.
@@ -532,7 +532,7 @@
relax_data_store.res[run][i].relax_sim_data = sim_data
- def write_columnar_line(self, file=None, num=None, name=None,
select=None, data_set=None, nucleus=None, wH=None, j0=None, f_eta=None,
f_r2=None, r=None, csa=None, orientation=None, tc=None, ri_labels=None,
remap_table=None, frq_labels=None, frq=None, ri=None, ri_error=None):
+ def write_columnar_line(self, file=None, num=None, name=None,
select=None, data_set=None, heteronuc_type=None, wH=None, j0=None,
f_eta=None, f_r2=None, r=None, csa=None, orientation=None, tc=None,
ri_labels=None, remap_table=None, frq_labels=None, frq=None, ri=None,
ri_error=None):
"""Function for printing a single line of the columnar formatted
results."""
# Residue number and name.
@@ -542,7 +542,7 @@
file.write("%-9s %-9s " % (select, data_set))
# Nucleus.
- file.write("%-7s " % nucleus)
+ file.write("%-7s " % heteronuc_type)
# Proton frequency.
file.write("%-25s " % wH)
@@ -610,14 +610,14 @@
ri_error.append('Ri_error_(' + cdp.ri_labels[i] + "_" +
cdp.frq_labels[cdp.remap_table[i]] + ")")
# Write the header line.
- self.write_columnar_line(file=file, num='Num', name='Name',
select='Selected', data_set='Data_set', nucleus='Nucleus',
wH='Proton_frq_(MHz)', j0='J(0)', f_eta='F_eta', f_r2='F_R2',
r='Bond_length_(A)', csa='CSA_(ppm)', orientation='Angle_Theta_(degrees)',
tc='Correlation_time_(ns)', ri_labels='Ri_labels', remap_table='Remap_table',
frq_labels='Frq_labels', frq='Frequencies', ri=ri, ri_error=ri_error)
+ self.write_columnar_line(file=file, num='Num', name='Name',
select='Selected', data_set='Data_set', heteronuc_type='Nucleus',
wH='Proton_frq_(MHz)', j0='J(0)', f_eta='F_eta', f_r2='F_R2',
r='Bond_length_(A)', csa='CSA_(ppm)', orientation='Angle_Theta_(degrees)',
tc='Correlation_time_(ns)', ri_labels='Ri_labels', remap_table='Remap_table',
frq_labels='Frq_labels', frq='Frequencies', ri=ri, ri_error=ri_error)
# Values.
#########
# Nucleus.
- nucleus = self.relax.generic.nuclei.find_nucleus()
+ heteronuc_type = self.relax.generic.nuclei.find_heteronuc_type()
# The proton frequency in MHz.
wH = cdp.ct_frq / 1e6
@@ -686,7 +686,7 @@
ri_error.append(None)
# Write the line.
- self.write_columnar_line(file=file, num=data.num,
name=data.name, select=data.select, data_set='value', nucleus=nucleus,
wH=`wH`, j0=`j0`, f_eta=`f_eta`, f_r2=`f_r2`, r=`r`, csa=`csa`,
orientation=`orientation`, tc=`tc`, ri_labels=ri_labels,
remap_table=remap_table, frq_labels=frq_labels, frq=frq, ri=ri,
ri_error=ri_error)
+ self.write_columnar_line(file=file, num=data.num,
name=data.name, select=data.select, data_set='value',
heteronuc_type=heteronuc_type, wH=`wH`, j0=`j0`, f_eta=`f_eta`, f_r2=`f_r2`,
r=`r`, csa=`csa`, orientation=`orientation`, tc=`tc`, ri_labels=ri_labels,
remap_table=remap_table, frq_labels=frq_labels, frq=frq, ri=ri,
ri_error=ri_error)
# Errors.
@@ -746,7 +746,7 @@
ri_error.append(None)
# Write the line.
- self.write_columnar_line(file=file, num=data.num,
name=data.name, select=data.select, data_set='error', nucleus=nucleus,
wH=`wH`, j0=`j0`, f_eta=`f_eta`, f_r2=`f_r2`, r=`r`, csa=`csa`,
orientation=`orientation`, tc=`tc`, ri_labels=ri_labels,
remap_table=remap_table, frq_labels=frq_labels, frq=frq, ri=ri,
ri_error=ri_error)
+ self.write_columnar_line(file=file, num=data.num,
name=data.name, select=data.select, data_set='error',
heteronuc_type=heteronuc_type, wH=`wH`, j0=`j0`, f_eta=`f_eta`, f_r2=`f_r2`,
r=`r`, csa=`csa`, orientation=`orientation`, tc=`tc`, ri_labels=ri_labels,
remap_table=remap_table, frq_labels=frq_labels, frq=frq, ri=ri,
ri_error=ri_error)
# Simulation values.
@@ -816,4 +816,4 @@
ri_error.append(None)
# Write the line.
- self.write_columnar_line(file=file, num=data.num,
name=data.name, select=data.select, data_set='sim_'+`i`, nucleus=nucleus,
wH=`wH`, j0=`j0`, f_eta=`f_eta`, f_r2=`f_r2`, r=`r`, csa=`csa`,
orientation=`orientation`, tc=`tc`, ri_labels=ri_labels,
remap_table=remap_table, frq_labels=frq_labels, frq=frq, ri=ri,
ri_error=ri_error)
+ self.write_columnar_line(file=file, num=data.num,
name=data.name, select=data.select, data_set='sim_'+`i`,
heteronuc_type=heteronuc_type, wH=`wH`, j0=`j0`, f_eta=`f_eta`, f_r2=`f_r2`,
r=`r`, csa=`csa`, orientation=`orientation`, tc=`tc`, ri_labels=ri_labels,
remap_table=remap_table, frq_labels=frq_labels, frq=frq, ri=ri,
ri_error=ri_error)
Modified:
branches/consistency_tests_1.3/test_suite/unit_tests/value_testing_base.py
URL:
http://svn.gna.org/viewcvs/relax/branches/consistency_tests_1.3/test_suite/unit_tests/value_testing_base.py?rev=5245&r1=5244&r2=5245&view=diff
==============================================================================
---
branches/consistency_tests_1.3/test_suite/unit_tests/value_testing_base.py
(original)
+++
branches/consistency_tests_1.3/test_suite/unit_tests/value_testing_base.py
Tue Apr 1 22:45:31 2008
@@ -215,7 +215,7 @@
cdp = relax_data_store[relax_data_store.current_pipe]
# Set the parameter.
- self.value_fns.set(param='heteronucleus', val='13C')
+ self.value_fns.set(param='heteronuc_type', val='13C')
# Test the parameter.
self.assertEqual(cdp.mol[0].res[0].spin[0].heteronuc_type, '13C')
@@ -411,7 +411,7 @@
cdp = relax_data_store[relax_data_store.current_pipe]
# Set the parameter.
- self.value_fns.set(param='heteronucleus')
+ self.value_fns.set(param='heteronuc_type')
# Test the parameter.
self.assertEqual(cdp.mol[0].res[0].spin[0].heteronuc_type, '15N')
@@ -587,7 +587,7 @@
cdp = relax_data_store[relax_data_store.current_pipe]
# Set the parameter.
- self.value_fns.set(param='heteronucleus', val='13C', spin_id='@112')
+ self.value_fns.set(param='heteronuc_type', val='13C', spin_id='@112')
# Test the parameter.
self.assert_(not hasattr(cdp.mol[0].res[0].spin[0],
'heteronuc_type'))
r5245 - in /branches/consistency_tests_1.3: specific_fns/consistency_tests.py test_suite/unit_tests/value_testing_base.py