Author: semor
Date: Tue Jan 27 22:47:00 2009
New Revision: 8686
URL: http://svn.gna.org/viewcvs/relax?rev=8686&view=rev
Log:
Added more unit tests and tried to debug what was uncovered by these tests.
Still more work is needed for debugging...
Modified:
branches/relax_disp/prompt/relax_disp.py
branches/relax_disp/specific_fns/relax_disp.py
branches/relax_disp/test_suite/unit_tests/_prompt/test_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=8686&r1=8685&r2=8686&view=diff
==============================================================================
--- branches/relax_disp/prompt/relax_disp.py (original)
+++ branches/relax_disp/prompt/relax_disp.py Tue Jan 27 22:47:00 2009
@@ -30,7 +30,7 @@
# relax module imports.
import help
-from relax_errors import RelaxNoneNumError, RelaxStrError
+from relax_errors import RelaxNoneNumError, RelaxNumError, RelaxStrError
from specific_fns.setup import relax_disp_obj
@@ -47,7 +47,7 @@
self.__relax__ = relax
- def calc_r2eff(self, exp_type='cpmg', id=None, delayT=None, int_cpmg=0,
int_ref=0):
+ def calc_r2eff(self, exp_type='cpmg', id=None, delayT=None,
int_cpmg=0.0, int_ref=0.0):
"""Calculate the effective transversal relaxation rate from the peak
intensities.
THIS FUNCTION IS NOT WRITTEN YET.
@@ -80,9 +80,40 @@
Examples
~~~~~~~~
-
-
- """
+ """
+
+ # Function intro text.
+ if self.__relax__.interpreter.intro:
+ text = sys.ps3 + "relax_disp.calc_r2eff("
+ text = text + "exp_type=" + `exp_type`
+ text = text + ", id=" + `id`
+ text = text + ", delayT=" + `delayT`
+ text = text + ", int_cpmg=" + `int_cpmg`
+ text = text + ", int_ref=" + `int_ref` + ")"
+ print text
+
+ # The exp_type argument.
+ if type(exp_type) != str:
+ raise RelaxStrError, ('exp_type', exp_type)
+
+ # The id argument.
+ if type(id) != str:
+ raise RelaxStrError, ('experiment identification string', id)
+
+ # The CPMG constant time delay (T).
+ if type(delayT) != float and type(delayT) != int and delayT != None:
+ raise RelaxNoneNumError, ('CPMG constant time delay (T)', delayT)
+
+ # The CPMG peak intensity.
+ if type(int_cpmg) != float and type(delayT) != int:
+ raise RelaxNumError, ('int_cpmg', int_cpmg)
+
+ # The reference peak intensity.
+ if type(int_ref) != float and type(delayT) != int:
+ raise RelaxNumError, ('int_ref', int_ref)
+
+ # Execute the functional code.
+ relax_disp_obj.calc_r2eff(exp_type=exp_type, id=id, delayT=delayT,
int_cpmg=int_cpmg, int_ref=int_ref)
def cpmg_delayT(self, id=None, delayT=None):
@@ -122,7 +153,7 @@
if type(delayT) != float and type(delayT) != int and delayT != None:
raise RelaxNoneNumError, ('CPMG constant time delay (T)', delayT)
- # Id string.
+ # The id argument.
if type(id) != str:
raise RelaxStrError, ('experiment identification string', id)
@@ -182,13 +213,13 @@
relax_disp_obj.cpmg_frq(cpmg_frq=cpmg_frq, spectrum_id=spectrum_id)
- def exp_type(self, exp='cpmg'):
+ def exp_type(self, exp_type='cpmg'):
"""Function for the selection of the relaxation dispersion
experiments to analyse.
Keyword Arguments
~~~~~~~~~~~~~~~~~
- exp: The type of relaxation dispersion experiment performed.
+ exp_type: The type of relaxation dispersion experiment performed.
The preset experiments
@@ -203,21 +234,21 @@
To pick the experiment type 'cpmg' for all selected spins, type:
relax> relax_disp.exp_type('cpmg')
- relax> relax_disp.exp_type(exp='cpmg')
+ relax> relax_disp.exp_type(exp_type='cpmg')
"""
# Function intro text.
if self.__relax__.interpreter.intro:
text = sys.ps3 + "relax_disp.exp_type("
- text = text + "exp=" + `exp` + ")"
- print text
-
- # The exp argument.
- if type(exp) != str:
- raise RelaxStrError, ('exp', exp)
-
- # Execute the functional code.
- relax_disp_obj.exp_type(exp=exp)
+ text = text + "exp_type=" + `exp_type` + ")"
+ print text
+
+ # The exp_type argument.
+ if type(exp_type) != str:
+ raise RelaxStrError, ('exp_type', exp_type)
+
+ # Execute the functional code.
+ relax_disp_obj.exp_type(exp_type=exp_type)
def r2eff_read(self):
@@ -278,7 +309,7 @@
To pick the model 'fast' for all selected spins, type:
relax> relax_disp.select_model('fast')
- relax> relax_disp.select_model(exp='fast')
+ relax> relax_disp.select_model(exp_type='fast')
"""
# Function intro text.
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=8686&r1=8685&r2=8686&view=diff
==============================================================================
--- branches/relax_disp/specific_fns/relax_disp.py (original)
+++ branches/relax_disp/specific_fns/relax_disp.py Tue Jan 27 22:47:00 2009
@@ -241,7 +241,7 @@
return results[result_index]
- def calc_r2eff(self, exp_type='cpmg', id=None, delayT=None, int_cpmg=0,
int_ref=0):
+ def calc_r2eff(self, exp_type='cpmg', id=None, delayT=None,
int_cpmg=0.0, int_ref=0.0):
"""Calculate the effective transversal relaxation rate from the peak
intensities. The
equation depends on the experiment type chosen, either 'cpmg' or
'r1rho'.
@@ -600,7 +600,7 @@
spin.dw = param_vector[5]
- def exp_type(self, exp='cpmg'):
+ def exp_type(self, exp_type='cpmg'):
"""Function for selecting the relaxation dispersion experiment type
performed.
@keyword exp: The relaxation dispersion experiment type. Can be one
of 'cpmg' or 'r1rho'.
@type exp: str
@@ -622,18 +622,18 @@
raise RelaxNoSequenceError
# CPMG relaxation dispersion experiments.
- if exp == 'cpmg':
+ if exp_type == 'cpmg':
print "CPMG relaxation dispersion experiments."
cdp.exp_type = 'cpmg'
# R1rho relaxation dispersion experiments.
- elif exp == 'r1rho':
+ elif exp_type == 'r1rho':
print "R1rho relaxation dispersion experiments."
cdp.exp_type = 'r1rho'
# Invalid relaxation dispersion experiment.
else:
- raise RelaxError, "The relaxation dispersion experiment '" + exp
+ "' is invalid."
+ raise RelaxError, "The relaxation dispersion experiment '" +
exp_type + "' is invalid."
def grid_search(self, lower=None, upper=None, inc=None,
constraints=True, verbosity=1, sim_index=None):
Modified: branches/relax_disp/test_suite/unit_tests/_prompt/test_relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/unit_tests/_prompt/test_relax_disp.py?rev=8686&r1=8685&r2=8686&view=diff
==============================================================================
--- branches/relax_disp/test_suite/unit_tests/_prompt/test_relax_disp.py
(original)
+++ branches/relax_disp/test_suite/unit_tests/_prompt/test_relax_disp.py Tue
Jan 27 22:47:00 2009
@@ -26,7 +26,7 @@
# relax module imports.
from prompt.relax_disp import Relax_disp
-from relax_errors import RelaxNoneNumError, RelaxStrError
+from relax_errors import RelaxNoneNumError, RelaxNumError, RelaxStrError
# Unit test imports.
from data_types import DATA_TYPES
@@ -38,6 +38,70 @@
# Instantiate the user function class.
relax_disp_fns = Relax_disp(fake_relax.fake_instance())
+
+
+ def test_relax_calc_r2eff_argfail_exp_type(self):
+ """The exp_type arg test of the relax_disp.relax_calc_r2eff() user
function."""
+
+ # Loop over the data types.
+ for data in DATA_TYPES:
+ # Catch the str arguments, and skip them.
+ if data[0] == 'str':
+ continue
+
+ # The argument test.
+ self.assertRaises(RelaxStrError, self.relax_disp_fns.calc_r2eff,
exp_type=data[1])
+
+ def test_relax_calc_r2eff_argfail_id(self):
+ """The id arg test of the relax_disp.relax_calc_r2eff() user
function."""
+
+ # Loop over the data types.
+ for data in DATA_TYPES:
+ # Catch the str arguments, and skip them.
+ if data[0] == 'str':
+ continue
+
+ # The argument test.
+ self.assertRaises(RelaxStrError, self.relax_disp_fns.calc_r2eff,
id=data[1])
+
+
+ def test_relax_calc_r2eff_argfail_delayT(self):
+ """The delayT arg test of the relax_disp.relax_calc_r2eff() user
function."""
+
+ # Loop over the data types.
+ for data in DATA_TYPES:
+ # Catch the float, int and None arguments, and skip them.
+ if data[0] == 'float' or data[0] == 'int' or data[0] == 'None':
+ continue
+
+ # The argument test.
+ self.assertRaises(RelaxNoneNumError,
self.relax_disp_fns.calc_r2eff, delayT=data[1])
+
+
+ def test_relax_calc_r2eff_argfail_int_cpmg(self):
+ """The int_cpmg arg test of the relax_disp.relax_calc_r2eff() user
function."""
+
+ # Loop over the data types.
+ for data in DATA_TYPES:
+ # Catch the float, int and None arguments, and skip them.
+ if data[0] == 'float' or data[0] == 'int':
+ continue
+
+ # The argument test.
+ self.assertRaises(RelaxNumError, self.relax_disp_fns.calc_r2eff,
int_cpmg=data[1])
+
+
+ def test_relax_calc_r2eff_argfail_int_ref(self):
+ """The int_ref arg test of the relax_disp.relax_calc_r2eff() user
function."""
+
+ # Loop over the data types.
+ for data in DATA_TYPES:
+ # Catch the float, int and None arguments, and skip them.
+ if data[0] == 'float' or data[0] == 'int':
+ continue
+
+ # The argument test.
+ self.assertRaises(RelaxNumError, self.relax_disp_fns.calc_r2eff,
int_ref=data[1])
def test_relax_cpmg_delayT_argfail_id(self):
@@ -92,8 +156,8 @@
self.assertRaises(RelaxStrError, self.relax_disp_fns.cpmg_frq,
spectrum_id=data[1])
- def test_relax_exp_type_argfail_exp(self):
- """The exp arg test of the relax_disp.exp_type() user function."""
+ def test_relax_exp_type_argfail_exp_type(self):
+ """The exp_type arg test of the relax_disp.exp_type() user
function."""
# Loop over the data types.
for data in DATA_TYPES:
@@ -102,7 +166,7 @@
continue
# The argument test.
- self.assertRaises(RelaxStrError, self.relax_disp_fns.exp_type,
exp=data[1])
+ self.assertRaises(RelaxStrError, self.relax_disp_fns.exp_type,
exp_type=data[1])
def test_relax_select_model_argfail_model(self):
r8686 - in /branches/relax_disp: prompt/ specific_fns/ test_suite/unit_tests/_prompt/