Author: bugman
Date: Wed Mar 2 15:49:37 2011
New Revision: 12721
URL: http://svn.gna.org/viewcvs/relax?rev=12721&view=rev
Log:
Simplifications for all of the diffusion tensor system tests.
Modified:
branches/relax_data/test_suite/system_tests/diffusion_tensor.py
branches/relax_data/test_suite/system_tests/scripts/diff_tensor/ri_back_calc.py
Modified: branches/relax_data/test_suite/system_tests/diffusion_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data/test_suite/system_tests/diffusion_tensor.py?rev=12721&r1=12720&r2=12721&view=diff
==============================================================================
--- branches/relax_data/test_suite/system_tests/diffusion_tensor.py (original)
+++ branches/relax_data/test_suite/system_tests/diffusion_tensor.py Wed Mar
2 15:49:37 2011
@@ -371,12 +371,11 @@
# Loop over all spins.
for i in range(len(cdp.mol[0].res)):
# Alias.
- bc = ds['back_calc'].mol[0].res[i].spin[0]
- orig = ds['orig_data'].mol[0].res[i].spin[0]
+ spin = cdp.mol[0].res[i].spin[0]
# Check the values.
- for j in range(len(bc.relax_data)):
- self.assertAlmostEqual(bc.relax_data[j], orig.relax_data[j])
+ for ri_id in cdp.ri_ids:
+ self.assertAlmostEqual(spin.ri_data_bc[ri_id],
spin.ri_data[ri_id])
def test_back_calc_sphere(self):
@@ -394,12 +393,11 @@
# Loop over all spins.
for i in range(len(cdp.mol[0].res)):
# Alias.
- bc = ds['back_calc'].mol[0].res[i].spin[0]
- orig = ds['orig_data'].mol[0].res[i].spin[0]
+ spin = cdp.mol[0].res[i].spin[0]
# Check the values.
- for j in range(len(bc.relax_data)):
- self.assertAlmostEqual(bc.relax_data[j], orig.relax_data[j])
+ for ri_id in cdp.ri_ids:
+ self.assertAlmostEqual(spin.ri_data_bc[ri_id],
spin.ri_data[ri_id])
def test_back_calc_spheroid(self):
@@ -417,12 +415,11 @@
# Loop over all spins.
for i in range(len(cdp.mol[0].res)):
# Alias.
- bc = ds['back_calc'].mol[0].res[i].spin[0]
- orig = ds['orig_data'].mol[0].res[i].spin[0]
+ spin = cdp.mol[0].res[i].spin[0]
# Check the values.
- for j in range(len(bc.relax_data)):
- self.assertAlmostEqual(bc.relax_data[j], orig.relax_data[j])
+ for ri_id in cdp.ri_ids:
+ self.assertAlmostEqual(spin.ri_data_bc[ri_id],
spin.ri_data[ri_id])
def test_copy(self):
Modified:
branches/relax_data/test_suite/system_tests/scripts/diff_tensor/ri_back_calc.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data/test_suite/system_tests/scripts/diff_tensor/ri_back_calc.py?rev=12721&r1=12720&r2=12721&view=diff
==============================================================================
---
branches/relax_data/test_suite/system_tests/scripts/diff_tensor/ri_back_calc.py
(original)
+++
branches/relax_data/test_suite/system_tests/scripts/diff_tensor/ri_back_calc.py
Wed Mar 2 15:49:37 2011
@@ -9,6 +9,9 @@
from data import Relax_data_store; ds = Relax_data_store()
from status import Status; status = Status()
+
+# The frequency list.
+FRQ = [500, 600, 700, 800]
# Stand alone operation.
if not hasattr(ds, 'diff_type'):
@@ -22,6 +25,13 @@
# Load the sequence.
sequence.read('NOE.500.out', dir=path, res_num_col=1)
+
+# Load the original relaxation data.
+for i in range(len(FRQ)):
+ relax_data.read(ri_id='R1_%i'%FRQ[i], ri_type='R1', frq=FRQ[i]*1e6,
file='R1.%s.out'%str(int(FRQ[i])), dir=path, res_num_col=1, data_col=2,
error_col=3)
+ relax_data.read(ri_id='R2_%i'%FRQ[i], ri_type='R2', frq=FRQ[i]*1e6,
file='R2.%s.out'%str(int(FRQ[i])), dir=path, res_num_col=1, data_col=2,
error_col=3)
+ relax_data.read(ri_id='NOE_%i'%FRQ[i], ri_type='NOE', frq=FRQ[i]*1e6,
file='NOE.%s.out'%str(int(FRQ[i])), dir=path, res_num_col=1, data_col=2,
error_col=3)
+relax_data.display(ri_id='R1_500')
# Load a PDB file.
structure.read_pdb('uniform.pdb', dir=path)
@@ -50,19 +60,9 @@
model_free.select_model(model='m0')
# Back-calculate.
-frq = [500, 600, 700, 800]
-for i in range(len(frq)):
- relax_data.back_calc(ri_id='R1_%i'%frq[i], ri_type='R1', frq=frq[i] *
1e6)
- relax_data.back_calc(ri_id='R2_%i'%frq[i], ri_type='R2', frq=frq[i] *
1e6)
- relax_data.back_calc(ri_id='NOE_%i'%frq[i], ri_type='NOE', frq=frq[i] *
1e6)
+for i in range(len(FRQ)):
+ relax_data.back_calc(ri_id='R1_%i'%FRQ[i], ri_type='R1',
frq=FRQ[i]*1e6)
+ relax_data.back_calc(ri_id='R2_%i'%FRQ[i], ri_type='R2',
frq=FRQ[i]*1e6)
+ relax_data.back_calc(ri_id='NOE_%i'%FRQ[i], ri_type='NOE',
frq=FRQ[i]*1e6)
relax_data.display(ri_id='R1_500')
-
-# Load the original relaxation data into another data pipe.
-pipe.create('orig_data', 'mf')
-sequence.read('NOE.500.out', dir=path, res_num_col=1)
-for i in range(len(frq)):
- relax_data.read(ri_id='R1_%i'%frq[i], ri_type='R1', frq=frq[i] * 1e6,
file='R1.%s.out'%str(int(frq[i])), dir=path, res_num_col=1, data_col=2,
error_col=3)
- relax_data.read(ri_id='R2_%i'%frq[i], ri_type='R2', frq=frq[i] * 1e6,
file='R2.%s.out'%str(int(frq[i])), dir=path, res_num_col=1, data_col=2,
error_col=3)
- relax_data.read(ri_id='NOE_%i'%frq[i], ri_type='NOE', frq=frq[i] * 1e6,
file='NOE.%s.out'%str(int(frq[i])), dir=path, res_num_col=1, data_col=2,
error_col=3)
-relax_data.display(ri_id='R1_500')
r12721 - in /branches/relax_data/test_suite/system_tests: diffusion_tensor.py scripts/diff_tensor/ri_back_calc.py