Author: bugman
Date: Mon Nov 26 15:28:24 2007
New Revision: 4022
URL: http://svn.gna.org/viewcvs/relax?rev=4022&view=rev
Log:
Merged revisions 4018-4021 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3
........
r4018 | bugman | 2007-11-26 15:19:01 +0100 (Mon, 26 Nov 2007) | 5 lines
Updates to RelaxTensorError and RelaxNoTensorError to allow for multiple
types of tensor.
For example a diffusion tensor, alignment tensor, etc.
........
r4019 | bugman | 2007-11-26 15:22:47 +0100 (Mon, 26 Nov 2007) | 3 lines
Changed all parts of relax to use the modified RelaxTensorError and
RelaxNoTensorError classes.
........
r4020 | bugman | 2007-11-26 15:24:27 +0100 (Mon, 26 Nov 2007) | 5 lines
Renamed generic_fns.angles.angles() to
generic_fns.angles.angle_diff_frame().
This is to allow for different types of tensors.
........
r4021 | bugman | 2007-11-26 15:26:12 +0100 (Mon, 26 Nov 2007) | 3 lines
Removed some unused imports.
........
Modified:
branches/N_state_model/ (props changed)
branches/N_state_model/generic_fns/angles.py
branches/N_state_model/generic_fns/dasha.py
branches/N_state_model/generic_fns/diffusion_tensor.py
branches/N_state_model/generic_fns/fix.py
branches/N_state_model/generic_fns/structure.py
branches/N_state_model/relax_errors.py
Propchange: branches/N_state_model/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Mon Nov 26 15:28:24 2007
@@ -1,1 +1,1 @@
-/1.3:1-3692,3695,3697-3713,3715-3719,3721-3728,3730-3731,3733-3755,3757-3807,3809-3833,3836-3838,3840-3869,3872-3905,3907-3986,4004,4014-4015
+/1.3:1-3692,3695,3697-3713,3715-3719,3721-3728,3730-3731,3733-3755,3757-3807,3809-3833,3836-3838,3840-3869,3872-3905,3907-3986,4004,4014-4015,4018-4021
Modified: branches/N_state_model/generic_fns/angles.py
URL:
http://svn.gna.org/viewcvs/relax/branches/N_state_model/generic_fns/angles.py?rev=4022&r1=4021&r2=4022&view=diff
==============================================================================
--- branches/N_state_model/generic_fns/angles.py (original)
+++ branches/N_state_model/generic_fns/angles.py Mon Nov 26 15:28:24 2007
@@ -21,16 +21,15 @@
###############################################################################
# Python module imports.
-from math import acos, pi, sin
+from math import acos, sin
from Numeric import dot
# relax module imports.
from data import Data as relax_data_store
-from relax_errors import RelaxError, RelaxNoPdbError, RelaxNoPipeError,
RelaxNoSequenceError, RelaxNoTensorError
+from relax_errors import RelaxError, RelaxNoPdbError, RelaxNoSequenceError,
RelaxNoTensorError
-
-def angles():
+def angle_diff_frame():
"""Function for calculating the angle defining the XH vector in the
diffusion frame."""
# Test if the current data pipe exists.
@@ -49,7 +48,7 @@
# Test if the diffusion tensor data is loaded.
if not diff_data_exists():
- raise RelaxNoTensorError
+ raise RelaxNoTensorError, 'diffusion'
# Sphere.
if cdp.diff_tensor.type == 'sphere':
Modified: branches/N_state_model/generic_fns/dasha.py
URL:
http://svn.gna.org/viewcvs/relax/branches/N_state_model/generic_fns/dasha.py?rev=4022&r1=4021&r2=4022&view=diff
==============================================================================
--- branches/N_state_model/generic_fns/dasha.py (original)
+++ branches/N_state_model/generic_fns/dasha.py Mon Nov 26 15:28:24 2007
@@ -63,7 +63,7 @@
# Test if diffusion tensor data for the run exists.
if self.param_set != 'local_tm' and not
relax_data_store.diff.has_key(self.run):
- raise RelaxNoTensorError, self.run
+ raise RelaxNoTensorError, 'diffusion'
# Test if the PDB file has been loaded (for the spheroid and
ellipsoid).
if self.param_set != 'local_tm' and
relax_data_store.diff[self.run].type != 'sphere' and not
relax_data_store.pdb.has_key(self.run):
Modified: branches/N_state_model/generic_fns/diffusion_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/branches/N_state_model/generic_fns/diffusion_tensor.py?rev=4022&r1=4021&r2=4022&view=diff
==============================================================================
--- branches/N_state_model/generic_fns/diffusion_tensor.py (original)
+++ branches/N_state_model/generic_fns/diffusion_tensor.py Mon Nov 26
15:28:24 2007
@@ -58,11 +58,11 @@
# Test if pipe_from contains diffusion tensor data.
if not diff_data_exists(pipe_from):
- raise RelaxNoTensorError
+ raise RelaxNoTensorError, 'diffusion'
# Test if pipe_to contains diffusion tensor data.
if diff_data_exists(pipe_to):
- raise RelaxTensorError
+ raise RelaxTensorError, 'diffusion'
# Copy the data.
relax_data_store[pipe_to].diff_tensor =
deepcopy(relax_data_store[pipe_from].diff_tensor)
@@ -141,7 +141,7 @@
# Test if diffusion tensor data exists.
if not diff_data_exists():
- raise RelaxNoTensorError
+ raise RelaxNoTensorError, 'diffusion'
# Delete the diffusion data.
del(relax_data_store[relax_data_store.current_pipe].diff_tensor)
@@ -178,7 +178,7 @@
# Test if diffusion tensor data exists.
if not diff_data_exists():
- raise RelaxNoTensorError
+ raise RelaxNoTensorError, 'diffusion'
# Alias the current data pipe.
cdp = relax_data_store[relax_data_store.current_pipe]
@@ -533,7 +533,7 @@
# Test if diffusion tensor data already exists.
if diff_data_exists():
- raise RelaxTensorError
+ raise RelaxTensorError, 'diffusion'
# Check the validity of the angle_units argument.
valid_types = ['deg', 'rad']
Modified: branches/N_state_model/generic_fns/fix.py
URL:
http://svn.gna.org/viewcvs/relax/branches/N_state_model/generic_fns/fix.py?rev=4022&r1=4021&r2=4022&view=diff
==============================================================================
--- branches/N_state_model/generic_fns/fix.py (original)
+++ branches/N_state_model/generic_fns/fix.py Mon Nov 26 15:28:24 2007
@@ -49,7 +49,7 @@
if element == 'diff':
# Test if the diffusion tensor data is loaded.
if not relax_data_store.diff.has_key(run):
- raise RelaxNoTensorError, run
+ raise RelaxNoTensorError, 'diffusion'
# Set the fixed flag.
relax_data_store.diff[run].fixed = fixed
@@ -74,7 +74,7 @@
# Test if the diffusion tensor data is loaded.
if not relax_data_store.diff.has_key(run):
- raise RelaxNoTensorError, run
+ raise RelaxNoTensorError, 'diffusion'
# Set the fixed flag for the diffusion tensor.
relax_data_store.diff[run].fixed = fixed
Modified: branches/N_state_model/generic_fns/structure.py
URL:
http://svn.gna.org/viewcvs/relax/branches/N_state_model/generic_fns/structure.py?rev=4022&r1=4021&r2=4022&view=diff
==============================================================================
--- branches/N_state_model/generic_fns/structure.py (original)
+++ branches/N_state_model/generic_fns/structure.py Mon Nov 26 15:28:24 2007
@@ -295,7 +295,7 @@
# Test if the diffusion tensor data is loaded.
if not relax_data_store.diff.has_key(self.run):
- raise RelaxNoTensorError, self.run
+ raise RelaxNoTensorError, 'diffusion'
# Test if the PDB file of the macromolecule has been loaded.
if not relax_data_store.pdb.has_key(self.run):
Modified: branches/N_state_model/relax_errors.py
URL:
http://svn.gna.org/viewcvs/relax/branches/N_state_model/relax_errors.py?rev=4022&r1=4021&r2=4022&view=diff
==============================================================================
--- branches/N_state_model/relax_errors.py (original)
+++ branches/N_state_model/relax_errors.py Mon Nov 26 15:28:24 2007
@@ -466,17 +466,17 @@
# Tensor errors.
################
-# Diffusion tensor data corresponding to the data pipe already exists.
+# Tensor data corresponding to the data pipe already exists.
class RelaxTensorError(BaseError):
- def __init__(self):
- self.text = "Diffusion tensor data already exists."
- if Debug:
- self.save_state()
-
-# No diffusion tensor data loaded.
+ def __init__(self, tensor_type):
+ self.text = "The " + tensor_type + " tensor data already exists."
+ if Debug:
+ self.save_state()
+
+# No tensor data exists.
class RelaxNoTensorError(BaseError):
- def __init__(self):
- self.text = "No diffusion tensor data exists."
+ def __init__(self, tensor_type):
+ self.text = "No " + tensor_type + " tensor data exists."
if Debug:
self.save_state()
r4022 - in /branches/N_state_model: ./ generic_fns/