Hi all,
Here are a few patches solving fomating issues in the 1.3 line (revision
3324).
patch_sample_scripts_palmer -> sample_scripts/palmer.py
patch_test_suite_runner ->
sample_scripts/relax_curve_diff.py
patch_sample_scripts_relax_curve_diff -> sample_scripts/remap.py
patch_test_suite_system_tests_jw_mapping -> test_suite/formatting.py
patch_sample_scripts_remap -> test_suite/runner.py
patch_test_suite_system_tests_main ->
test_suite/system_tests/jw_mapping.py
patch_test_suite_formatting -> test_suite/system_tests/main.py
patch_test_suite_system_tests_model_free ->
test_suite/system_tests/model_free.py
These are low importance changes but nevertheless the work needs to be done.
Cheers.
Séb :)
Index: sample_scripts/palmer.py
===================================================================
--- sample_scripts/palmer.py (revision 3324)
+++ sample_scripts/palmer.py (working copy)
@@ -14,6 +14,7 @@
# Functions.
+
def exec_stage_1(runs):
"""Stage 1 function.
Index: sample_scripts/relax_curve_diff.py
===================================================================
--- sample_scripts/relax_curve_diff.py (revision 3324)
+++ sample_scripts/relax_curve_diff.py (working copy)
@@ -33,7 +33,6 @@
# The relax data storage object.
-
def back_calc(name):
"""Back calculate the peak intensities.
Index: sample_scripts/remap.py
===================================================================
--- sample_scripts/remap.py (revision 3324)
+++ sample_scripts/remap.py (working copy)
@@ -2,6 +2,7 @@
from Numeric import Float64, array
+
def remap(values):
"""Remapping function."""
Index: test_suite/formatting.py
===================================================================
--- test_suite/formatting.py (revision 3324)
+++ test_suite/formatting.py (working copy)
@@ -25,7 +25,7 @@
def heading(text):
"""Function for printing the headings.
-
+
@param text: The text of the heading to be printed.
@type text: str
"""
@@ -49,7 +49,7 @@
def summary_line(name, passed):
"""Print a summary line.
-
+
@param name: The name of the test, test category, etc.
@type name: str
@param passed: An argment which if True causes '[ OK ]' to be printed
and if False causes
Index: test_suite/runner.py
===================================================================
--- test_suite/runner.py (revision 3324)
+++ test_suite/runner.py (working copy)
@@ -36,6 +36,7 @@
Unit tests.
"""
+
def __init__(self, relax):
"""Run the system/functional and unit test suite components.
Index: test_suite/system_tests/jw_mapping.py
===================================================================
--- test_suite/system_tests/jw_mapping.py (revision 3324)
+++ test_suite/system_tests/jw_mapping.py (working copy)
@@ -40,7 +40,7 @@
# Results reading test.
if test_name == 'set':
-
+
# The name of the test.
self.name = "The user function value.set()"
@@ -49,7 +49,7 @@
# Spectral density calculation test.
if test_name == 'calc':
-
+
# The name of the test.
self.name = "Spectral density calculation"
@@ -65,16 +65,16 @@
# Setup.
self.calc_setup()
-
+
# Try the reduced spectral density mapping.
self.relax.interpreter._Minimisation.calc(self.run)
-
+
# Success.
return self.calc_integrity()
-
+
def calc_integrity(self):
-
+
# Correct jw values:
j0 = [4.0958793960056238e-09, 3.7976266046729745e-09]
jwx = [1.85720953886864e-10, 1.6450121628270092e-10]
@@ -120,7 +120,7 @@
dataTypes = [('NOE', '600', 600.0e6),
('R1', '600', 600.0e6),
('R2', '600', 600.0e6)]
-
+
# Create the run.
self.relax.generic.runs.create(self.run, 'jw')
Index: test_suite/system_tests/main.py
===================================================================
--- test_suite/system_tests/main.py (revision 3324)
+++ test_suite/system_tests/main.py (working copy)
@@ -42,6 +42,7 @@
class System_tests:
"""The system/functional tests component of the relax test suite."""
+
def __init__(self, relax):
"""The relax system/functional tests.
@@ -238,7 +239,6 @@
return global_pass
-
def exec_tests(self, test_array):
"""Function for running the tests."""
Index: test_suite/system_tests/model_free.py
===================================================================
--- test_suite/system_tests/model_free.py (revision 3324)
+++ test_suite/system_tests/model_free.py (working copy)
@@ -63,7 +63,7 @@
# The test.
self.test = self.set_csa
- # Test of setting the CSA and the bond length.
+ # Test of setting the CSA and the bond length.
if test_name == 'set csa and bond length':
# The name of the test.
self.name = "Setting both the CSA value and bond length through
the user function value.set()"
@@ -71,7 +71,7 @@
# The test.
self.test = self.set_csa_bond_length
- # Test of selecting model-free model m4.
+ # Test of selecting model-free model m4.
if test_name == 'select m4':
# The name of the test.
self.name = "Selecting model m4 with parameters {S2, te, Rex}
using model_free.select_model()"
@@ -120,82 +120,82 @@
self.test = self.opendx_tm_s2_te
- # Optimisation: Constrained grid search {S2=0.970, te=2048,
Rex=0.149}.
- if test_name == 'Constrained grid search {S2=0.970, te=2048,
Rex=0.149}':
+ # Optimisation: Constrained grid search {S2 = 0.970, te = 2048, Rex
= 0.149}.
+ if test_name == 'Constrained grid search {S2 = 0.970, te = 2048, Rex
= 0.149}':
# The name of the test.
- self.name = "Constrained grid search {S2=0.970, te=2048,
Rex=0.149}"
+ self.name = "Constrained grid search {S2 = 0.970, te = 2048, Rex
= 0.149}"
# The test.
self.test = self.opt_grid_search_S2_0_970_te_2048_Rex_0_149
- # Optimisation: Constrained SD, backtracking {S2=0.970, te=2048,
Rex=0.149}.
- if test_name == 'Constrained SD, backtracking opt {S2=0.970,
te=2048, Rex=0.149}':
+ # Optimisation: Constrained SD, backtracking {S2 = 0.970, te =
2048, Rex = 0.149}.
+ if test_name == 'Constrained SD, backtracking opt {S2 = 0.970, te =
2048, Rex = 0.149}':
# The name of the test.
- self.name = "Constrained steepest descent opt, backtracking line
search {S2=0.970, te=2048, Rex=0.149}"
+ self.name = "Constrained steepest descent opt, backtracking line
search {S2 = 0.970, te = 2048, Rex = 0.149}"
# The test.
self.test = self.opt_constr_sd_back_S2_0_970_te_2048_Rex_0_149
- # Optimisation: Constrained SD, MT {S2=0.970, te=2048, Rex=0.149}.
- if test_name == 'Constrained SD, MT opt {S2=0.970, te=2048,
Rex=0.149}':
+ # Optimisation: Constrained SD, MT {S2 = 0.970, te = 2048, Rex =
0.149}.
+ if test_name == 'Constrained SD, MT opt {S2 = 0.970, te = 2048, Rex
= 0.149}':
# The name of the test.
- self.name = "Constrained steepest descent opt, More and Thuente
line search {S2=0.970, te=2048, Rex=0.149}"
+ self.name = "Constrained steepest descent opt, More and Thuente
line search {S2 = 0.970, te = 2048, Rex = 0.149}"
# The test.
self.test = self.opt_constr_sd_mt_S2_0_970_te_2048_Rex_0_149
- # Optimisation: Constrained CD, backtracking {S2=0.970, te=2048,
Rex=0.149}.
- if test_name == 'Constrained CD, backtracking opt {S2=0.970,
te=2048, Rex=0.149}':
+ # Optimisation: Constrained CD, backtracking {S2 = 0.970, te =
2048, Rex = 0.149}.
+ if test_name == 'Constrained CD, backtracking opt {S2 = 0.970, te =
2048, Rex = 0.149}':
# The name of the test.
- self.name = "Constrained coordinate descent opt, backtracking
line search {S2=0.970, te=2048, Rex=0.149}"
+ self.name = "Constrained coordinate descent opt, backtracking
line search {S2 = 0.970, te = 2048, Rex = 0.149}"
# The test.
self.test = self.opt_constr_cd_back_S2_0_970_te_2048_Rex_0_149
- # Optimisation: Constrained CD, MT {S2=0.970, te=2048, Rex=0.149}.
- if test_name == 'Constrained CD, MT opt {S2=0.970, te=2048,
Rex=0.149}':
+ # Optimisation: Constrained CD, MT {S2 = 0.970, te = 2048, Rex =
0.149}.
+ if test_name == 'Constrained CD, MT opt {S2 = 0.970, te = 2048, Rex
= 0.149}':
# The name of the test.
- self.name = "Constrained coordinate descent opt, More and
Thuente line search {S2=0.970, te=2048, Rex=0.149}"
+ self.name = "Constrained coordinate descent opt, More and
Thuente line search {S2 = 0.970, te = 2048, Rex = 0.149}"
# The test.
self.test = self.opt_constr_cd_mt_S2_0_970_te_2048_Rex_0_149
- # Optimisation: Constrained BFGS, backtracking {S2=0.970, te=2048,
Rex=0.149}.
- if test_name == 'Constrained BFGS, backtracking opt {S2=0.970,
te=2048, Rex=0.149}':
+ # Optimisation: Constrained BFGS, backtracking {S2 = 0.970, te =
2048, Rex = 0.149}.
+ if test_name == 'Constrained BFGS, backtracking opt {S2 = 0.970, te
= 2048, Rex = 0.149}':
# The name of the test.
- self.name = "Constrained BFGS opt, backtracking line search
{S2=0.970, te=2048, Rex=0.149}"
+ self.name = "Constrained BFGS opt, backtracking line search {S2
= 0.970, te = 2048, Rex = 0.149}"
# The test.
self.test = self.opt_constr_bfgs_back_S2_0_970_te_2048_Rex_0_149
- # Optimisation: Constrained BFGS, MT {S2=0.970, te=2048, Rex=0.149}.
- if test_name == 'Constrained BFGS, MT opt {S2=0.970, te=2048,
Rex=0.149}':
+ # Optimisation: Constrained BFGS, MT {S2 = 0.970, te = 2048, Rex =
0.149}.
+ if test_name == 'Constrained BFGS, MT opt {S2 = 0.970, te = 2048,
Rex = 0.149}':
# The name of the test.
- self.name = "Constrained BFGS opt, More and Thuente line search
{S2=0.970, te=2048, Rex=0.149}"
+ self.name = "Constrained BFGS opt, More and Thuente line search
{S2 = 0.970, te = 2048, Rex = 0.149}"
# The test.
self.test = self.opt_constr_bfgs_mt_S2_0_970_te_2048_Rex_0_149
- # Optimisation: Constrained Newton, GMW, backtracking {S2=0.970,
te=2048, Rex=0.149}.
- if test_name == 'Constrained Newton, GMW, backtracking opt
{S2=0.970, te=2048, Rex=0.149}':
+ # Optimisation: Constrained Newton, GMW, backtracking {S2 = 0.970,
te = 2048, Rex = 0.149}.
+ if test_name == 'Constrained Newton, GMW, backtracking opt {S2 =
0.970, te = 2048, Rex = 0.149}':
# The name of the test.
- self.name = "Constrained Newton opt, GMW Hessian mod,
backtracking line search {S2=0.970, te=2048, Rex=0.149}"
+ self.name = "Constrained Newton opt, GMW Hessian mod,
backtracking line search {S2 = 0.970, te = 2048, Rex = 0.149}"
# The test.
self.test =
self.opt_constr_newton_gmw_back_S2_0_970_te_2048_Rex_0_149
- # Optimisation: Constrained Newton, GMW, MT {S2=0.970, te=2048,
Rex=0.149}.
- if test_name == 'Constrained Newton, GMW, MT opt {S2=0.970, te=2048,
Rex=0.149}':
+ # Optimisation: Constrained Newton, GMW, MT {S2 = 0.970, te = 2048,
Rex = 0.149}.
+ if test_name == 'Constrained Newton, GMW, MT opt {S2 = 0.970, te =
2048, Rex = 0.149}':
# The name of the test.
- self.name = "Constrained Newton opt, GMW Hessian mod, More and
Thuente line search {S2=0.970, te=2048, Rex=0.149}"
+ self.name = "Constrained Newton opt, GMW Hessian mod, More and
Thuente line search {S2 = 0.970, te = 2048, Rex = 0.149}"
# The test.
self.test =
self.opt_constr_newton_gmw_mt_S2_0_970_te_2048_Rex_0_149
Formating issues in the 1.3 line