Author: bugman
Date: Tue Jul 22 18:35:26 2014
New Revision: 24651
URL: http://svn.gna.org/viewcvs/relax?rev=24651&view=rev
Log:
Merged revisions 24638 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk
........
r24638 | bugman | 2014-07-22 17:06:47 +0200 (Tue, 22 Jul 2014) | 6 lines
Modified the align_tensor.init user function so that the parameters are now
optional.
This allows alignment tensors to be initialised without specifying the
parameter values for that
tensor.
........
Modified:
branches/disp_spin_speed/ (props changed)
branches/disp_spin_speed/pipe_control/align_tensor.py
branches/disp_spin_speed/user_functions/align_tensor.py
Propchange: branches/disp_spin_speed/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Tue Jul 22 18:35:26 2014
@@ -1 +1 @@
-/trunk:1-24595
+/trunk:1-24650
Modified: branches/disp_spin_speed/pipe_control/align_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/pipe_control/align_tensor.py?rev=24651&r1=24650&r2=24651&view=diff
==============================================================================
--- branches/disp_spin_speed/pipe_control/align_tensor.py (original)
+++ branches/disp_spin_speed/pipe_control/align_tensor.py Tue Jul 22
18:35:26 2014
@@ -676,7 +676,7 @@
@keyword align_id: The alignment ID string that the tensor
corresponds to.
@type align_id: str or None
@keyword params: The alignment tensor parameters.
- @type params: float
+ @type params: list of float or None
@keyword scale: The alignment tensor eigenvalue scaling value.
@type scale: float
@keyword angle_units: The units for the angle parameters (either 'deg'
or 'rad').
@@ -733,153 +733,155 @@
else:
tensor_obj = get_tensor_object_from_align(align_id)
- # {Sxx, Syy, Sxy, Sxz, Syz}.
- if param_types == 0:
- # Unpack the tuple.
- Sxx, Syy, Sxy, Sxz, Syz = params
-
- # Scaling.
- Sxx = Sxx * scale
- Syy = Syy * scale
- Sxy = Sxy * scale
- Sxz = Sxz * scale
- Syz = Syz * scale
-
- # Set the parameters.
- set(tensor=tensor_obj, value=[Sxx, Syy, Sxy, Sxz, Syz],
param=['Sxx', 'Syy', 'Sxy', 'Sxz', 'Syz'], errors=errors)
-
- # {Szz, Sxx-yy, Sxy, Sxz, Syz}.
- elif param_types == 1:
- # Unpack the tuple.
- Szz, Sxxyy, Sxy, Sxz, Syz = params
-
- # Scaling.
- Szz = Szz * scale
- Sxxyy = Sxxyy * scale
- Sxy = Sxy * scale
- Sxz = Sxz * scale
- Syz = Syz * scale
-
- # Set the parameters.
- set(tensor=tensor_obj, value=[Szz, Sxxyy, Sxy, Sxz, Syz],
param=['Szz', 'Sxxyy', 'Sxy', 'Sxz', 'Syz'], errors=errors)
-
- # {Axx, Ayy, Axy, Axz, Ayz}.
- elif param_types == 2:
- # Unpack the tuple.
- Axx, Ayy, Axy, Axz, Ayz = params
-
- # Scaling.
- Axx = Axx * scale
- Ayy = Ayy * scale
- Axy = Axy * scale
- Axz = Axz * scale
- Ayz = Ayz * scale
-
- # Set the parameters.
- set(tensor=tensor_obj, value=[Axx, Ayy, Axy, Axz, Ayz],
param=['Axx', 'Ayy', 'Axy', 'Axz', 'Ayz'], errors=errors)
-
- # {Azz, Axx-yy, Axy, Axz, Ayz}.
- elif param_types == 3:
- # Unpack the tuple.
- Azz, Axxyy, Axy, Axz, Ayz = params
-
- # Scaling.
- Azz = Azz * scale
- Axxyy = Axxyy * scale
- Axy = Axy * scale
- Axz = Axz * scale
- Ayz = Ayz * scale
-
- # Set the parameters.
- set(tensor=tensor_obj, value=[Azz, Axxyy, Axy, Axz, Ayz],
param=['Azz', 'Axxyy', 'Axy', 'Axz', 'Ayz'], errors=errors)
-
- # {Axx, Ayy, Axy, Axz, Ayz}.
- elif param_types == 4:
- # Unpack the tuple.
- Axx, Ayy, Axy, Axz, Ayz = params
-
- # Get the bond length.
- r = None
- for spin in spin_loop():
- # First spin.
- if r == None:
- r = spin.r
-
- # Different value.
- if r != spin.r:
- raise RelaxError("Not all spins have the same bond length.")
-
- # Scaling.
- scale = scale / kappa() * r**3
- Axx = Axx * scale
- Ayy = Ayy * scale
- Axy = Axy * scale
- Axz = Axz * scale
- Ayz = Ayz * scale
-
- # Set the parameters.
- set(tensor=tensor_obj, value=[Axx, Ayy, Axy, Axz, Ayz],
param=['Axx', 'Ayy', 'Axy', 'Axz', 'Ayz'], errors=errors)
-
- # {Azz, Axx-yy, Axy, Axz, Ayz}.
- elif param_types == 5:
- # Unpack the tuple.
- Azz, Axxyy, Axy, Axz, Ayz = params
-
- # Get the bond length.
- r = None
- for spin in spin_loop():
- # First spin.
- if r == None:
- r = spin.r
-
- # Different value.
- if r != spin.r:
- raise RelaxError("Not all spins have the same bond length.")
-
- # Scaling.
- scale = scale / kappa() * r**3
- Azz = Azz * scale
- Axxyy = Axxyy * scale
- Axy = Axy * scale
- Axz = Axz * scale
- Ayz = Ayz * scale
-
- # Set the parameters.
- set(tensor=tensor_obj, value=[Azz, Axxyy, Axy, Axz, Ayz],
param=['Azz', 'Axxyy', 'Axy', 'Axz', 'Ayz'], errors=errors)
-
- # {Pxx, Pyy, Pxy, Pxz, Pyz}.
- elif param_types == 6:
- # Unpack the tuple.
- Pxx, Pyy, Pxy, Pxz, Pyz = params
-
- # Scaling.
- Pxx = Pxx * scale
- Pyy = Pyy * scale
- Pxy = Pxy * scale
- Pxz = Pxz * scale
- Pyz = Pyz * scale
-
- # Set the parameters.
- set(tensor=tensor_obj, value=[Pxx, Pyy, Pxy, Pxz, Pyz],
param=['Pxx', 'Pyy', 'Pxy', 'Pxz', 'Pyz'], errors=errors)
-
- # {Pzz, Pxx-yy, Pxy, Pxz, Pyz}.
- elif param_types == 7:
- # Unpack the tuple.
- Pzz, Pxxyy, Pxy, Pxz, Pyz = params
-
- # Scaling.
- Pzz = Pzz * scale
- Pxxyy = Pxxyy * scale
- Pxy = Pxy * scale
- Pxz = Pxz * scale
- Pyz = Pyz * scale
-
- # Set the parameters.
- set(tensor=tensor_obj, value=[Pzz, Pxxyy, Pxy, Pxz, Pyz],
param=['Pzz', 'Pxxyy', 'Pxy', 'Pxz', 'Pyz'], errors=errors)
-
- # Unknown parameter combination.
- else:
- raise RelaxUnknownParamCombError('param_types', param_types)
+ # Set the parameter values.
+ if params:
+ # {Sxx, Syy, Sxy, Sxz, Syz}.
+ if param_types == 0:
+ # Unpack the tuple.
+ Sxx, Syy, Sxy, Sxz, Syz = params
+
+ # Scaling.
+ Sxx = Sxx * scale
+ Syy = Syy * scale
+ Sxy = Sxy * scale
+ Sxz = Sxz * scale
+ Syz = Syz * scale
+
+ # Set the parameters.
+ set(tensor=tensor_obj, value=[Sxx, Syy, Sxy, Sxz, Syz],
param=['Sxx', 'Syy', 'Sxy', 'Sxz', 'Syz'], errors=errors)
+
+ # {Szz, Sxx-yy, Sxy, Sxz, Syz}.
+ elif param_types == 1:
+ # Unpack the tuple.
+ Szz, Sxxyy, Sxy, Sxz, Syz = params
+
+ # Scaling.
+ Szz = Szz * scale
+ Sxxyy = Sxxyy * scale
+ Sxy = Sxy * scale
+ Sxz = Sxz * scale
+ Syz = Syz * scale
+
+ # Set the parameters.
+ set(tensor=tensor_obj, value=[Szz, Sxxyy, Sxy, Sxz, Syz],
param=['Szz', 'Sxxyy', 'Sxy', 'Sxz', 'Syz'], errors=errors)
+
+ # {Axx, Ayy, Axy, Axz, Ayz}.
+ elif param_types == 2:
+ # Unpack the tuple.
+ Axx, Ayy, Axy, Axz, Ayz = params
+
+ # Scaling.
+ Axx = Axx * scale
+ Ayy = Ayy * scale
+ Axy = Axy * scale
+ Axz = Axz * scale
+ Ayz = Ayz * scale
+
+ # Set the parameters.
+ set(tensor=tensor_obj, value=[Axx, Ayy, Axy, Axz, Ayz],
param=['Axx', 'Ayy', 'Axy', 'Axz', 'Ayz'], errors=errors)
+
+ # {Azz, Axx-yy, Axy, Axz, Ayz}.
+ elif param_types == 3:
+ # Unpack the tuple.
+ Azz, Axxyy, Axy, Axz, Ayz = params
+
+ # Scaling.
+ Azz = Azz * scale
+ Axxyy = Axxyy * scale
+ Axy = Axy * scale
+ Axz = Axz * scale
+ Ayz = Ayz * scale
+
+ # Set the parameters.
+ set(tensor=tensor_obj, value=[Azz, Axxyy, Axy, Axz, Ayz],
param=['Azz', 'Axxyy', 'Axy', 'Axz', 'Ayz'], errors=errors)
+
+ # {Axx, Ayy, Axy, Axz, Ayz}.
+ elif param_types == 4:
+ # Unpack the tuple.
+ Axx, Ayy, Axy, Axz, Ayz = params
+
+ # Get the bond length.
+ r = None
+ for spin in spin_loop():
+ # First spin.
+ if r == None:
+ r = spin.r
+
+ # Different value.
+ if r != spin.r:
+ raise RelaxError("Not all spins have the same bond
length.")
+
+ # Scaling.
+ scale = scale / kappa() * r**3
+ Axx = Axx * scale
+ Ayy = Ayy * scale
+ Axy = Axy * scale
+ Axz = Axz * scale
+ Ayz = Ayz * scale
+
+ # Set the parameters.
+ set(tensor=tensor_obj, value=[Axx, Ayy, Axy, Axz, Ayz],
param=['Axx', 'Ayy', 'Axy', 'Axz', 'Ayz'], errors=errors)
+
+ # {Azz, Axx-yy, Axy, Axz, Ayz}.
+ elif param_types == 5:
+ # Unpack the tuple.
+ Azz, Axxyy, Axy, Axz, Ayz = params
+
+ # Get the bond length.
+ r = None
+ for spin in spin_loop():
+ # First spin.
+ if r == None:
+ r = spin.r
+
+ # Different value.
+ if r != spin.r:
+ raise RelaxError("Not all spins have the same bond
length.")
+
+ # Scaling.
+ scale = scale / kappa() * r**3
+ Azz = Azz * scale
+ Axxyy = Axxyy * scale
+ Axy = Axy * scale
+ Axz = Axz * scale
+ Ayz = Ayz * scale
+
+ # Set the parameters.
+ set(tensor=tensor_obj, value=[Azz, Axxyy, Axy, Axz, Ayz],
param=['Azz', 'Axxyy', 'Axy', 'Axz', 'Ayz'], errors=errors)
+
+ # {Pxx, Pyy, Pxy, Pxz, Pyz}.
+ elif param_types == 6:
+ # Unpack the tuple.
+ Pxx, Pyy, Pxy, Pxz, Pyz = params
+
+ # Scaling.
+ Pxx = Pxx * scale
+ Pyy = Pyy * scale
+ Pxy = Pxy * scale
+ Pxz = Pxz * scale
+ Pyz = Pyz * scale
+
+ # Set the parameters.
+ set(tensor=tensor_obj, value=[Pxx, Pyy, Pxy, Pxz, Pyz],
param=['Pxx', 'Pyy', 'Pxy', 'Pxz', 'Pyz'], errors=errors)
+
+ # {Pzz, Pxx-yy, Pxy, Pxz, Pyz}.
+ elif param_types == 7:
+ # Unpack the tuple.
+ Pzz, Pxxyy, Pxy, Pxz, Pyz = params
+
+ # Scaling.
+ Pzz = Pzz * scale
+ Pxxyy = Pxxyy * scale
+ Pxy = Pxy * scale
+ Pxz = Pxz * scale
+ Pyz = Pyz * scale
+
+ # Set the parameters.
+ set(tensor=tensor_obj, value=[Pzz, Pxxyy, Pxy, Pxz, Pyz],
param=['Pzz', 'Pxxyy', 'Pxy', 'Pxz', 'Pyz'], errors=errors)
+
+ # Unknown parameter combination.
+ else:
+ raise RelaxUnknownParamCombError('param_types', param_types)
# Set the domain and alignment ID.
if domain:
Modified: branches/disp_spin_speed/user_functions/align_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/user_functions/align_tensor.py?rev=24651&r1=24650&r2=24651&view=diff
==============================================================================
--- branches/disp_spin_speed/user_functions/align_tensor.py (original)
+++ branches/disp_spin_speed/user_functions/align_tensor.py Tue Jul 22
18:35:26 2014
@@ -213,7 +213,8 @@
desc_short = "alignment tensor parameters",
dim = 5,
desc = "The alignment tensor data.",
- wiz_read_only = False
+ wiz_read_only = False,
+ can_be_none = True
)
uf.add_keyarg(
name = "scale",
r24651 - in /branches/disp_spin_speed: ./ pipe_control/align_tensor.py user_functions/align_tensor.py