Author: bugman
Date: Wed Mar 2 10:23:46 2011
New Revision: 12690
URL: http://svn.gna.org/viewcvs/relax?rev=12690&view=rev
Log:
Updated all of the model-free system test scripts for the new relax data ID
string design.
Modified:
branches/relax_data/test_suite/system_tests/scripts/model_free/bug_15050.py
branches/relax_data/test_suite/system_tests/scripts/model_free/bugs_12582_12591_12607.py
branches/relax_data/test_suite/system_tests/scripts/model_free/generate_ri.py
Modified:
branches/relax_data/test_suite/system_tests/scripts/model_free/bug_15050.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data/test_suite/system_tests/scripts/model_free/bug_15050.py?rev=12690&r1=12689&r2=12690&view=diff
==============================================================================
---
branches/relax_data/test_suite/system_tests/scripts/model_free/bug_15050.py
(original)
+++
branches/relax_data/test_suite/system_tests/scripts/model_free/bug_15050.py
Wed Mar 2 10:23:46 2011
@@ -16,9 +16,9 @@
# Setup.
pipe.create(pipe_name=name, pipe_type='mf')
sequence.read(file='noe.500.out', dir=path, mol_name_col=None,
res_num_col=1, res_name_col=2, spin_num_col=None, spin_name_col=None,
sep=None)
- relax_data.read(ri_label='R1', frq_label='500', frq=500208000.0,
file='r1.500.out', dir=path, mol_name_col=None, res_num_col=1,
res_name_col=2, spin_num_col=None, spin_name_col=None, data_col=3,
error_col=4, sep=None)
- relax_data.read(ri_label='R2', frq_label='500', frq=500208000.0,
file='r2.500.out', dir=path, mol_name_col=None, res_num_col=1,
res_name_col=2, spin_num_col=None, spin_name_col=None, data_col=3,
error_col=4, sep=None)
- relax_data.read(ri_label='NOE', frq_label='500', frq=500208000.0,
file='noe.500.out', dir=path, mol_name_col=None, res_num_col=1,
res_name_col=2, spin_num_col=None, spin_name_col=None, data_col=3,
error_col=4, sep=None)
+ relax_data.read(ri_id='R1', ri_type='R1', frq=500208000.0,
file='r1.500.out', dir=path, mol_name_col=None, res_num_col=1,
res_name_col=2, spin_num_col=None, spin_name_col=None, data_col=3,
error_col=4, sep=None)
+ relax_data.read(ri_id='R2', ri_type='R2', frq=500208000.0,
file='r2.500.out', dir=path, mol_name_col=None, res_num_col=1,
res_name_col=2, spin_num_col=None, spin_name_col=None, data_col=3,
error_col=4, sep=None)
+ relax_data.read(ri_id='NOE', ri_type='NOE', frq=500208000.0,
file='noe.500.out', dir=path, mol_name_col=None, res_num_col=1,
res_name_col=2, spin_num_col=None, spin_name_col=None, data_col=3,
error_col=4, sep=None)
value.set(val=1.0200000000000001e-10, param='bond_length', spin_id=None)
value.set(val=-0.00017199999999999998, param='csa', spin_id=None)
value.set(val='15N', param='heteronucleus', spin_id=None)
Modified:
branches/relax_data/test_suite/system_tests/scripts/model_free/bugs_12582_12591_12607.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data/test_suite/system_tests/scripts/model_free/bugs_12582_12591_12607.py?rev=12690&r1=12689&r2=12690&view=diff
==============================================================================
---
branches/relax_data/test_suite/system_tests/scripts/model_free/bugs_12582_12591_12607.py
(original)
+++
branches/relax_data/test_suite/system_tests/scripts/model_free/bugs_12582_12591_12607.py
Wed Mar 2 10:23:46 2011
@@ -22,9 +22,9 @@
# Setup.
pipe.create(pipe_name=name, pipe_type='mf')
sequence.read(file='noe.500.out', dir=path, mol_name_col=None,
res_num_col=1, res_name_col=2, spin_num_col=None, spin_name_col=None,
sep=None)
- relax_data.read(ri_label='R1', frq_label='500', frq=500208000.0,
file='r1.500.out', dir=path, mol_name_col=None, res_num_col=1,
res_name_col=2, spin_num_col=None, spin_name_col=None, data_col=3,
error_col=4, sep=None)
- relax_data.read(ri_label='R2', frq_label='500', frq=500208000.0,
file='r2.500.out', dir=path, mol_name_col=None, res_num_col=1,
res_name_col=2, spin_num_col=None, spin_name_col=None, data_col=3,
error_col=4, sep=None)
- relax_data.read(ri_label='NOE', frq_label='500', frq=500208000.0,
file='noe.500.out', dir=path, mol_name_col=None, res_num_col=1,
res_name_col=2, spin_num_col=None, spin_name_col=None, data_col=3,
error_col=4, sep=None)
+ relax_data.read(ri_id='R1', ri_type='R1', frq=500208000.0,
file='r1.500.out', dir=path, mol_name_col=None, res_num_col=1,
res_name_col=2, spin_num_col=None, spin_name_col=None, data_col=3,
error_col=4, sep=None)
+ relax_data.read(ri_id='R2', ri_type='R2', frq=500208000.0,
file='r2.500.out', dir=path, mol_name_col=None, res_num_col=1,
res_name_col=2, spin_num_col=None, spin_name_col=None, data_col=3,
error_col=4, sep=None)
+ relax_data.read(ri_id='NOE', ri_type='NOE', frq=500208000.0,
file='noe.500.out', dir=path, mol_name_col=None, res_num_col=1,
res_name_col=2, spin_num_col=None, spin_name_col=None, data_col=3,
error_col=4, sep=None)
value.set(val=1.0200000000000001e-10, param='bond_length', spin_id=None)
value.set(val=-0.00017199999999999998, param='csa', spin_id=None)
value.set(val='15N', param='heteronucleus', spin_id=None)
Modified:
branches/relax_data/test_suite/system_tests/scripts/model_free/generate_ri.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data/test_suite/system_tests/scripts/model_free/generate_ri.py?rev=12690&r1=12689&r2=12690&view=diff
==============================================================================
---
branches/relax_data/test_suite/system_tests/scripts/model_free/generate_ri.py
(original)
+++
branches/relax_data/test_suite/system_tests/scripts/model_free/generate_ri.py
Wed Mar 2 10:23:46 2011
@@ -1,6 +1,6 @@
###############################################################################
#
#
-# Copyright (C) 2004-2010 Edward d'Auvergne
#
+# Copyright (C) 2004-2011 Edward d'Auvergne
#
#
#
# This file is part of the program relax.
#
#
#
@@ -34,7 +34,7 @@
def back_calc():
"""Function for back calculating the relaxation data."""
- relax_data.back_calc(ri_label='NOE', frq_label='600', frq=600e6)
+ relax_data.back_calc(ri_id='NOE_600', ri_type='NOE', frq=600e6)
def errors():
@@ -43,28 +43,28 @@
# Loop over the sequence.
for spin in spin_loop():
# Loop over the relaxation data.
- for j in xrange(len(spin.relax_data)):
+ for j in xrange(len(cdp.ri_ids)):
# No data.
- if spin.relax_data[j] == None:
+ if spin.ri_data[j] == None:
continue
# 600 MHz NOE.
- if spin.ri_labels[j] == 'NOE' and
spin.frq_labels[spin.remap_table[j]] == '600':
- spin.relax_error[j] = 0.04
+ if cdp.ri_ids[j] == 'NOE_600':
+ spin.ri_data_err[j] = 0.04
# 500 MHz NOE.
- elif spin.ri_labels[j] == 'NOE' and
spin.frq_labels[spin.remap_table[j]] == '500':
- spin.relax_error[j] = 0.05
+ elif cdp.ri_ids[j] == 'NOE_500':
+ spin.ri_data_err[j] = 0.05
# All other data.
else:
- spin.relax_error[j] = spin.relax_data[j] * 0.02
+ spin.ri_data_err[j] = spin.ri_data[j] * 0.02
def write():
"""Function for writing the relaxation data to file."""
- relax_data.write(ri_label='NOE', frq_label='600', file='devnull',
force=True)
+ relax_data.write(ri_id='NOE_600', file='devnull', force=True)
# Create the data pipe.
r12690 - /branches/relax_data/test_suite/system_tests/scripts/model_free/