Hi again and again
Here is a third patch for the code 'test-suite/consistency_tests.py' of the
1.2 branch for consistency testing.
Cheers
Séb
Index: test_suite/consistency_tests.py
===================================================================
--- test_suite/consistency_tests.py (revision 3324)
+++ test_suite/consistency_tests.py (working copy)
@@ -23,15 +23,15 @@
import sys
-class Jw:
+class Consistent:
def __init__(self, relax, test_name):
- """Class for testing various aspects specific to reduced spectral
density mapping."""
+ """Class for testing various aspects specific to consistency
tests."""
self.relax = relax
# Results reading test.
if test_name == 'set':
-
+
# The name of the test.
self.name = "The user function value.set()"
@@ -40,36 +40,36 @@
# Spectral density calculation test.
if test_name == 'calc':
-
+
# The name of the test.
- self.name = "Spectral density calculation"
+ self.name = "Consistency tests calculation"
# The test.
self.test = self.calc
def calc(self, run):
- """The spectral density calculation test."""
+ """The consistency tests calculation test."""
# Arguments.
self.run = run
# 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:
+
+ # Correct consistency functions values:
j0 = [4.0958793960056238e-09, 3.7976266046729745e-09]
- jwx = [1.85720953886864e-10, 1.6450121628270092e-10]
- jwh = [1.5598167512718012e-12, 2.9480536599037041e-12]
+ f_eta = [0.35164988964635652, 0.32556427866911447]
+ f_r2 = [2.0611470814962761e-09, 1.9117396355237641e-09]
# Loop over residues.
for index,residue in enumerate(self.relax.data.res[self.run]):
@@ -82,11 +82,11 @@
if abs(self.relax.data.res[self.run][index].j0 - j0[index])
j0[index]/1e6:
print 'Error in residue',
self.relax.data.res[self.run][index].num, 'j0 calculated value'
return
- if abs(self.relax.data.res[self.run][index].jwh -
jwh[index]) > jwh[index]/1e6:
- print 'Error in residue',
self.relax.data.res[self.run][index].num, 'jwh calculated value'
+ if abs(self.relax.data.res[self.run][index].f_eta -
f_eta[index]) > f_eta[index]/1e6:
+ print 'Error in residue',
self.relax.data.res[self.run][index].num, 'f_eta calculated value'
return
- if abs(self.relax.data.res[self.run][index].jwx -
jwx[index]) > jwx[index]/1e6:
- print 'Error in residue',
self.relax.data.res[self.run][index].num, 'jwx calculated value'
+ if abs(self.relax.data.res[self.run][index].f_r2 -
f_r2[index]) > f_r2[index]/1e6:
+ print 'Error in residue',
self.relax.data.res[self.run][index].num, 'f_r2 calculated value'
return
# Other residues have insufficient data.
@@ -111,9 +111,9 @@
dataTypes = [('NOE', '600', 600.0e6),
('R1', '600', 600.0e6),
('R2', '600', 600.0e6)]
-
+
# Create the run.
- self.relax.generic.runs.create(self.run, 'jw')
+ self.relax.generic.runs.create(self.run, 'ct')
# Read the sequence.
self.relax.interpreter._Sequence.read(self.run, file='test_seq',
dir=sys.path[-1] + '/test_suite/data')
@@ -129,8 +129,14 @@
self.relax.interpreter._Value.set(self.run, 1.02 * 1e-10,
'bond_length')
self.relax.interpreter._Value.set(self.run, -170 * 1e-6, 'csa')
+ # Set the angle between the 15N-1H vector and the principal axis of
the 15N chemical shift tensor
+ self.relax.interpreter._Value.set(self.run, 15.7, 'orientation')
+
+ # Set the approximate correlation time.
+ self.relax.interpreter._Value.set(self.run, 13 * 1e-9, 'tc')
+
# Select the frequency.
- self.relax.interpreter._Jw_mapping.set_frq(self.run, frq=600.0 * 1e6)
+ self.relax.interpreter._Consistency_tests.set_frq(self.run,
frq=600.0 * 1e6)
def set_value(self, run):
Re: Consistency tests