Author: bugman
Date: Wed Mar 27 15:22:11 2013
New Revision: 19236
URL: http://svn.gna.org/viewcvs/relax?rev=19236&view=rev
Log:
Ported r8686 from the old relax_disp branch into the new branch.
The commands used were:
svn merge -r8685:8686
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/relax_disp/specific_fns/@r18123
specific_analyses
svn merge -r8685:8686
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/relax_disp/test_suite/@r18123
test_suite
The changes to the prompt package were manually ported to the user_functions
package.
.....
r8686 | semor | 2009-01-27 22:47:00 +0100 (Tue, 27 Jan 2009) | 5 lines
Changed paths:
M /branches/relax_disp/prompt/relax_disp.py
M /branches/relax_disp/specific_fns/relax_disp.py
M /branches/relax_disp/test_suite/unit_tests/_prompt/test_relax_disp.py
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/specific_analyses/relax_disp.py
branches/relax_disp/test_suite/unit_tests/_prompt/test_relax_disp.py
branches/relax_disp/user_functions/relax_disp.py
Modified: branches/relax_disp/specific_analyses/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp.py?rev=19236&r1=19235&r2=19236&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp.py Wed Mar 27 15:22:11
2013
@@ -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=19236&r1=19235&r2=19236&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 Wed
Mar 27 15:22:11 2013
@@ -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):
Modified: branches/relax_disp/user_functions/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/user_functions/relax_disp.py?rev=19236&r1=19235&r2=19236&view=diff
==============================================================================
--- branches/relax_disp/user_functions/relax_disp.py (original)
+++ branches/relax_disp/user_functions/relax_disp.py Wed Mar 27 15:22:11 2013
@@ -43,7 +43,7 @@
uf.title = "Calculate the effective transversal relaxation rate from the
peak intensities."
uf.title_short = "R2eff calculation."
uf.add_keyarg(
- name = "exp",
+ name = "exp_type",
default = "cpmg",
py_type = "str",
desc_short = "experiment type",
@@ -154,7 +154,7 @@
uf.title = "Select the type of relaxation dispersion experiments to analyse."
uf.title_short = "Relaxation dispersion type selection."
uf.add_keyarg(
- name = "exp",
+ name = "exp_type",
default = "cpmg",
py_type = "str",
desc_short = "experiment type",
@@ -167,7 +167,7 @@
uf.desc.append(Desc_container("Prompt examples"))
uf.desc[-1].add_paragraph("To pick the experiment type 'cpmg' for all
selected spins, type one of:")
uf.desc[-1].add_prompt("relax> relax_disp.exp_type('cpmg')")
-uf.desc[-1].add_prompt("relax> relax_disp.exp_type(exp='cpmg')")
+uf.desc[-1].add_prompt("relax> relax_disp.exp_type(exp_type='cpmg')")
uf.backend = relax_disp_obj._exp_type
uf.menu_text = "&exp_type"
uf.wizard_size = (800, 500)
r19236 - in /branches/relax_disp: specific_analyses/ test_suite/unit_tests/_prompt/ user_functions/