Hi,
I have been struggling to fix a bug with the unit test for a while...
Presently, the unit test for relaxation dispersion fails with the
following 3 errors:
======================================================================
ERROR: The delayT arg test of the relax_disp.relax_calc_r2eff() user
function.
----------------------------------------------------------------------
relax> relax_disp.calc_r2eff(exp_type='cpmg', id=None, delayT=0,
int_cpmg=1.0, int_ref=1.0)
Traceback (most recent call last):
File
"/home/semor/pse-4/collaborations/relax/relax-1.3--relax_disp/test_suite/unit_tests/_prompt/test_relax_disp.py",
line 78, in test_relax_calc_r2eff_argfail_delayT
self.assertRaises(RelaxNoneNumError, self.relax_disp_fns.calc_r2eff,
delayT=data[1])
File "/usr/lib/python2.5/unittest.py", line 320, in failUnlessRaises
callableObj(*args, **kwargs)
File
"/home/semor/pse-4/collaborations/relax/relax-1.3--relax_disp/prompt/relax_disp.py",
line 101, in calc_r2eff
raise RelaxStrError, ('experiment identification string', id)
RelaxStrError: RelaxError: The experiment identification string argument
None must be a string.
======================================================================
ERROR: The int_cpmg arg test of the relax_disp.relax_calc_r2eff() user
function.
----------------------------------------------------------------------
relax> relax_disp.calc_r2eff(exp_type='cpmg', id=None, delayT=None,
int_cpmg=0, int_ref=1.0)
Traceback (most recent call last):
File
"/home/semor/pse-4/collaborations/relax/relax-1.3--relax_disp/test_suite/unit_tests/_prompt/test_relax_disp.py",
line 91, in test_relax_calc_r2eff_argfail_int_cpmg
self.assertRaises(RelaxNumError, self.relax_disp_fns.calc_r2eff,
int_cpmg=data[1])
File "/usr/lib/python2.5/unittest.py", line 320, in failUnlessRaises
callableObj(*args, **kwargs)
File
"/home/semor/pse-4/collaborations/relax/relax-1.3--relax_disp/prompt/relax_disp.py",
line 101, in calc_r2eff
raise RelaxStrError, ('experiment identification string', id)
RelaxStrError: RelaxError: The experiment identification string argument
None must be a string.
======================================================================
ERROR: The int_ref arg test of the relax_disp.relax_calc_r2eff() user
function.
----------------------------------------------------------------------
relax> relax_disp.calc_r2eff(exp_type='cpmg', id=None, delayT=None,
int_cpmg=1.0, int_ref=0)
Traceback (most recent call last):
File
"/home/semor/pse-4/collaborations/relax/relax-1.3--relax_disp/test_suite/unit_tests/_prompt/test_relax_disp.py",
line 104, in test_relax_calc_r2eff_argfail_int_ref
self.assertRaises(RelaxNumError, self.relax_disp_fns.calc_r2eff,
int_ref=data[1])
File "/usr/lib/python2.5/unittest.py", line 320, in failUnlessRaises
callableObj(*args, **kwargs)
File
"/home/semor/pse-4/collaborations/relax/relax-1.3--relax_disp/prompt/relax_disp.py",
line 101, in calc_r2eff
raise RelaxStrError, ('experiment identification string', id)
RelaxStrError: RelaxError: The experiment identification string argument
None must be a string.
As you can see, the error seems to be the same for the three parts.
However, this code for the 'relax_disp.calc_r2eff' unit tests is similar
to that used for 'relax_disp.cpmg_delayT' where this problem did not arise.
Moreover, of the 5 argument tests for the calc_r2eff() function, the
'id' argument (which is related to the error message) test passes, as
well as the 'exp_type' argument test... Only the 'delayT', 'int_cpmg'
and 'int_ref' argument tests fail...
Do you have an idea about the possible cause for these errors ???
Thanks for helping me out !
Séb :)
sebastien.morin.1@xxxxxxxxx wrote:
Author: semor
Date: Tue Jan 27 23:11:53 2009
New Revision: 8687
URL: http://svn.gna.org/viewcvs/relax?rev=8687&view=rev
Log:
A few fixes based on the unit tests problems.
Modified:
branches/relax_disp/prompt/relax_disp.py
branches/relax_disp/specific_fns/relax_disp.py
Modified: branches/relax_disp/prompt/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/prompt/relax_disp.py?rev=8687&r1=8686&r2=8687&view=diff
==============================================================================
--- branches/relax_disp/prompt/relax_disp.py (original)
+++ branches/relax_disp/prompt/relax_disp.py Tue Jan 27 23:11:53 2009
@@ -47,7 +47,7 @@
self.__relax__ = relax
- def calc_r2eff(self, exp_type='cpmg', id=None, delayT=None,
int_cpmg=0.0, int_ref=0.0):
+ def calc_r2eff(self, exp_type='cpmg', id=None, delayT=None,
int_cpmg=0.0, int_ref=1.0):
"""Calculate the effective transversal relaxation rate from the
peak intensities.
THIS FUNCTION IS NOT WRITTEN YET.
@@ -105,11 +105,11 @@
raise RelaxNoneNumError, ('CPMG constant time delay (T)',
delayT)
# The CPMG peak intensity.
- if type(int_cpmg) != float and type(delayT) != int:
+ if type(int_cpmg) != float and type(int_cpmg) != int:
raise RelaxNumError, ('int_cpmg', int_cpmg)
# The reference peak intensity.
- if type(int_ref) != float and type(delayT) != int:
+ if type(int_ref) != float and type(int_ref) != int:
raise RelaxNumError, ('int_ref', int_ref)
# Execute the functional code.
Modified: branches/relax_disp/specific_fns/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_fns/relax_disp.py?rev=8687&r1=8686&r2=8687&view=diff
==============================================================================
--- branches/relax_disp/specific_fns/relax_disp.py (original)
+++ branches/relax_disp/specific_fns/relax_disp.py Tue Jan 27 23:11:53 2009
@@ -241,7 +241,7 @@
return results[result_index]
- def calc_r2eff(self, exp_type='cpmg', id=None, delayT=None,
int_cpmg=0.0, int_ref=0.0):
+ def calc_r2eff(self, exp_type='cpmg', id=None, delayT=None,
int_cpmg=0.0, int_ref=1.0):
"""Calculate the effective transversal relaxation rate from the
peak intensities. The
equation depends on the experiment type chosen, either 'cpmg' or
'r1rho'.
@@ -258,10 +258,20 @@
@type int_ref: float
"""
- if exp_type == 'cpmg':
+ # Avoid division by zero.
+ if int_ref == 0:
+ raise RelaxError, "The reference peak intensity should not
have a value of 0 (zero)"
+
+ # Avoid other inmpossible mathematical situation.
+ if int_cpmg == 0:
+ raise RelaxError, "The CPMG peak intensity should not have a
value of 0 (zero)"
+
+ if delayT == 0:
+ raise RelaxError, "The CPMG constant time delay (T) should not
have a value of 0 (zero)"
+
+ if exp_type == 'cpmg' and delayT != None:
r2eff = - ( 1 / delayT ) * log ( int_cpmg / int_ref )
-
- return r2eff
+ return r2eff
def cpmg_frq(self, cpmg_frq=None, spectrum_id=None):
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Re: r8687 - in /branches/relax_disp: prompt/relax_disp.py specific_fns/relax_disp.py