Author: bugman
Date: Wed Feb 20 09:49:10 2013
New Revision: 18511
URL: http://svn.gna.org/viewcvs/relax?rev=18511&view=rev
Log:
Created the Mf.test_bug_20531_molmol_macro_write_relaxfault system test.
This is an attempt at catching bug #20531. It creates all of the m0-m9 and
tm0-tm9 models, sets
some parameter values, and then attempts to create all of the Molmol macros,
PyMOL macros, Grace
plots and parameter text files as present in the
auto_analysis.dauvergne_protocol module.
Modified:
trunk/test_suite/system_tests/model_free.py
Modified: trunk/test_suite/system_tests/model_free.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/model_free.py?rev=18511&r1=18510&r2=18511&view=diff
==============================================================================
--- trunk/test_suite/system_tests/model_free.py (original)
+++ trunk/test_suite/system_tests/model_free.py Wed Feb 20 09:49:10 2013
@@ -291,6 +291,81 @@
# Execute the script.
self.script_exec(status.install_path +
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'model_free'+sep+'bug_20464_missing_ri_data.py')
+
+
+ def test_bug_20531_molmol_macro_write_relaxfault(self):
+ """Bug #20531 catch (https://gna.org/bugs/?20531), the RelaxFault
when creating the Molmol macros."""
+
+ # Load some sequence data.
+ self.interpreter.sequence.read(file='Ap4Aase.seq',
dir=status.install_path + sep+'test_suite'+sep+'shared_data'+sep,
res_num_col=1, res_name_col=2)
+
+ # The models to create.
+ models = ['m0', 'm1', 'm2', 'm3', 'm4', 'm5', 'm6', 'm7', 'm8',
'm9'] + ['tm0', 'tm1', 'tm2', 'tm3', 'tm4', 'tm5', 'tm6', 'tm7', 'tm8', 'tm9']
+
+ # Loop over the models.
+ for i in range(len(models)):
+ self.interpreter.model_free.select_model(model=models[i],
spin_id=':%s'%(i+1))
+
+ # Set values for all parameters.
+ self.interpreter.value.set(param='s2', val=0.8)
+ self.interpreter.value.set(param='s2f', val=0.85)
+ self.interpreter.value.set(param='s2s', val=0.7)
+ self.interpreter.value.set(param='local_tm', val=8000e-12)
+ self.interpreter.value.set(param='te', val=20e-12)
+ self.interpreter.value.set(param='tf', val=40e-12)
+ self.interpreter.value.set(param='ts', val=2000e-12)
+ self.interpreter.value.set(param='rex', val=1.5e-18)
+
+ # Create a temporary directory for dumping files.
+ ds.tmpdir = mkdtemp()
+
+ # Attempt to create the Molmol macros.
+ self.interpreter.molmol.macro_write(data_type='s2',
dir=ds.tmpdir, force=True)
+ self.interpreter.molmol.macro_write(data_type='s2f',
dir=ds.tmpdir, force=True)
+ self.interpreter.molmol.macro_write(data_type='s2s',
dir=ds.tmpdir, force=True)
+ self.interpreter.molmol.macro_write(data_type='amp_fast',
dir=ds.tmpdir, force=True)
+ self.interpreter.molmol.macro_write(data_type='amp_slow',
dir=ds.tmpdir, force=True)
+ self.interpreter.molmol.macro_write(data_type='te',
dir=ds.tmpdir, force=True)
+ self.interpreter.molmol.macro_write(data_type='tf',
dir=ds.tmpdir, force=True)
+ self.interpreter.molmol.macro_write(data_type='ts',
dir=ds.tmpdir, force=True)
+ self.interpreter.molmol.macro_write(data_type='time_fast',
dir=ds.tmpdir, force=True)
+ self.interpreter.molmol.macro_write(data_type='time_slow',
dir=ds.tmpdir, force=True)
+ self.interpreter.molmol.macro_write(data_type='rex',
dir=ds.tmpdir, force=True)
+
+ # Attempt to create the PyMOL macros.
+ self.interpreter.pymol.macro_write(data_type='s2',
dir=ds.tmpdir, force=True)
+ self.interpreter.pymol.macro_write(data_type='s2f',
dir=ds.tmpdir, force=True)
+ self.interpreter.pymol.macro_write(data_type='s2s',
dir=ds.tmpdir, force=True)
+ self.interpreter.pymol.macro_write(data_type='amp_fast',
dir=ds.tmpdir, force=True)
+ self.interpreter.pymol.macro_write(data_type='amp_slow',
dir=ds.tmpdir, force=True)
+ self.interpreter.pymol.macro_write(data_type='te',
dir=ds.tmpdir, force=True)
+ self.interpreter.pymol.macro_write(data_type='tf',
dir=ds.tmpdir, force=True)
+ self.interpreter.pymol.macro_write(data_type='ts',
dir=ds.tmpdir, force=True)
+ self.interpreter.pymol.macro_write(data_type='time_fast',
dir=ds.tmpdir, force=True)
+ self.interpreter.pymol.macro_write(data_type='time_slow',
dir=ds.tmpdir, force=True)
+ self.interpreter.pymol.macro_write(data_type='rex',
dir=ds.tmpdir, force=True)
+
+ # Attempt to create the Grace plots.
+ self.interpreter.grace.write(x_data_type='spin', y_data_type='s2',
file='s2.agr', dir=ds.tmpdir, force=True)
+ self.interpreter.grace.write(x_data_type='spin', y_data_type='s2f',
file='s2f.agr', dir=ds.tmpdir, force=True)
+ self.interpreter.grace.write(x_data_type='spin', y_data_type='s2s',
file='s2s.agr', dir=ds.tmpdir, force=True)
+ self.interpreter.grace.write(x_data_type='spin', y_data_type='te',
file='te.agr', dir=ds.tmpdir, force=True)
+ self.interpreter.grace.write(x_data_type='spin', y_data_type='tf',
file='tf.agr', dir=ds.tmpdir, force=True)
+ self.interpreter.grace.write(x_data_type='spin', y_data_type='ts',
file='ts.agr', dir=ds.tmpdir, force=True)
+ self.interpreter.grace.write(x_data_type='spin', y_data_type='rex',
file='rex.agr', dir=ds.tmpdir, force=True)
+ self.interpreter.grace.write(x_data_type='s2', y_data_type='te',
file='s2_vs_te.agr', dir=ds.tmpdir, force=True)
+ self.interpreter.grace.write(x_data_type='s2', y_data_type='rex',
file='s2_vs_rex.agr', dir=ds.tmpdir, force=True)
+ self.interpreter.grace.write(x_data_type='te', y_data_type='rex',
file='te_vs_rex.agr', dir=ds.tmpdir, force=True)
+
+ # Attempt to create the text files of the values.
+ self.interpreter.value.write(param='s2', file='s2.txt',
dir=ds.tmpdir, force=True)
+ self.interpreter.value.write(param='s2f', file='s2f.txt',
dir=ds.tmpdir, force=True)
+ self.interpreter.value.write(param='s2s', file='s2s.txt',
dir=ds.tmpdir, force=True)
+ self.interpreter.value.write(param='te', file='te.txt',
dir=ds.tmpdir, force=True)
+ self.interpreter.value.write(param='tf', file='tf.txt',
dir=ds.tmpdir, force=True)
+ self.interpreter.value.write(param='ts', file='ts.txt',
dir=ds.tmpdir, force=True)
+ self.interpreter.value.write(param='rex', file='rex.txt',
dir=ds.tmpdir, force=True)
+ self.interpreter.value.write(param='local_tm', file='local_tm.txt',
dir=ds.tmpdir, force=True)
def test_create_m4(self):
r18511 - /trunk/test_suite/system_tests/model_free.py