Author: bugman
Date: Wed Jul 19 09:01:06 2006
New Revision: 2513
URL: http://svn.gna.org/viewcvs/relax?rev=2513&view=rev
Log:
Fix to bug #6384.
The bug is located at
https://gna.org/bugs/index.php?func=detailitem&item_id=6384.
The function for sorting global from local parameters in the
generic_fns/value.py file has been
simplified thanks to the change of the previous revision whereby the local tm
parameter is now
referred to as 'local_tm' rather than 'tm'. Hence no algorithms are required
to distinguish
between the global 'tm' parameter and the local 'tm' parameter.
Modified:
1.2/generic_fns/value.py
1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/noe.500.out
1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/noe.600.out
1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/r1.500.out
1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/r1.600.out
1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/r2.500.out
1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/r2.600.out
1.2/test_suite/model_free.py
Modified: 1.2/generic_fns/value.py
URL:
http://svn.gna.org/viewcvs/relax/1.2/generic_fns/value.py?rev=2513&r1=2512&r2=2513&view=diff
==============================================================================
--- 1.2/generic_fns/value.py (original)
+++ 1.2/generic_fns/value.py Wed Jul 19 09:01:06 2006
@@ -390,7 +390,6 @@
self.res_values = []
# Separate the residue specific parameters from the diffusion tensor
parameters.
- #if self.param and self.function_type == 'mf':
if self.param:
# Single parameter.
if type(self.param) == str:
@@ -398,7 +397,7 @@
diff_name =
self.relax.generic.diffusion_tensor.return_data_name(self.param)
# The parameter is a diffusion parameter.
- if self.res_num == None and self.res_name == None and
diff_name:
+ if diff_name:
# List of values.
if type(self.value) == list or type(self.value) ==
ArrayType:
# Parameter name.
@@ -441,14 +440,13 @@
# Multiple parameters.
elif type(self.param) == list:
- # Catch the local tm parameter (identified when
# Loop over all parameters.
for i in xrange(len(self.param)):
# Get the diffusion tensor parameter name.
diff_name =
self.relax.generic.diffusion_tensor.return_data_name(self.param[i])
# The parameter is a diffusion parameter.
- if self.res_num == None and self.res_name == None and
diff_name:
+ if diff_name:
# Parameter name.
self.diff_params.append(diff_name)
Modified:
1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/noe.500.out
URL:
http://svn.gna.org/viewcvs/relax/1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/noe.500.out?rev=2513&r1=2512&r2=2513&view=diff
==============================================================================
--- 1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/noe.500.out
(original)
+++ 1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/noe.500.out Wed
Jul 19 09:01:06 2006
@@ -1,3 +1,3 @@
Num Name Value Error
-1 XXX
+1 GLY
2 ALA 0.78105687098694854 0.050000000000000003
Modified:
1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/noe.600.out
URL:
http://svn.gna.org/viewcvs/relax/1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/noe.600.out?rev=2513&r1=2512&r2=2513&view=diff
==============================================================================
--- 1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/noe.600.out
(original)
+++ 1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/noe.600.out Wed
Jul 19 09:01:06 2006
@@ -1,3 +1,3 @@
Num Name Value Error
-1 XXX
+1 GLY
2 ALA 0.80408892327499626 0.040000000000000001
Modified: 1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/r1.500.out
URL:
http://svn.gna.org/viewcvs/relax/1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/r1.500.out?rev=2513&r1=2512&r2=2513&view=diff
==============================================================================
--- 1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/r1.500.out
(original)
+++ 1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/r1.500.out Wed
Jul 19 09:01:06 2006
@@ -1,3 +1,3 @@
Num Name Value Error
-1 XXX
+1 GLY
2 ALA 1.7836568628249123 0.035673137256498247
Modified: 1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/r1.600.out
URL:
http://svn.gna.org/viewcvs/relax/1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/r1.600.out?rev=2513&r1=2512&r2=2513&view=diff
==============================================================================
--- 1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/r1.600.out
(original)
+++ 1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/r1.600.out Wed
Jul 19 09:01:06 2006
@@ -1,3 +1,3 @@
Num Name Value Error
-1 XXX
+1 GLY
2 ALA 1.3874977659397683 0.027749955318795365
Modified: 1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/r2.500.out
URL:
http://svn.gna.org/viewcvs/relax/1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/r2.500.out?rev=2513&r1=2512&r2=2513&view=diff
==============================================================================
--- 1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/r2.500.out
(original)
+++ 1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/r2.500.out Wed
Jul 19 09:01:06 2006
@@ -1,3 +1,3 @@
Num Name Value Error
-1 XXX
+1 GLY
2 ALA 13.40684281033935 0.26813685620678701
Modified: 1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/r2.600.out
URL:
http://svn.gna.org/viewcvs/relax/1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/r2.600.out?rev=2513&r1=2512&r2=2513&view=diff
==============================================================================
--- 1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/r2.600.out
(original)
+++ 1.2/test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/r2.600.out Wed
Jul 19 09:01:06 2006
@@ -1,3 +1,3 @@
Num Name Value Error
-1 XXX
+1 GLY
2 ALA 14.239506503694924 0.28479013007389847
Modified: 1.2/test_suite/model_free.py
URL:
http://svn.gna.org/viewcvs/relax/1.2/test_suite/model_free.py?rev=2513&r1=2512&r2=2513&view=diff
==============================================================================
--- 1.2/test_suite/model_free.py (original)
+++ 1.2/test_suite/model_free.py Wed Jul 19 09:01:06 2006
@@ -199,6 +199,9 @@
# Read the sequence.
self.relax.interpreter._Sequence.read(self.run, file='noe.500.out',
dir=path)
+ # Read the PDF file.
+ self.relax.interpreter._PDB.pdb(run, file='pdb', dir=path, model=1,
heteronuc='N', proton='H', load_seq=0)
+
# Read the relaxation data.
self.relax.interpreter._Relax_data.read(self.run, 'R1', '600', 600.0
* 1e6, 'r1.600.out', dir=path)
self.relax.interpreter._Relax_data.read(self.run, 'R2', '600', 600.0
* 1e6, 'r2.600.out', dir=path)
r2513 - in /1.2: generic_fns/ test_suite/ test_suite/data/model_free/S2_0.970_te_2048_Rex_0.149/