r3998 - /branches/N_state_model/prompt/align_tensor.py -- November 26, 2007 - 13:28

Author: bugman
Date: Mon Nov 26 12:34:11 2007
New Revision: 3998

URL: http://svn.gna.org/viewcvs/relax?rev=3998&view=rev
Log:
Added the scale and angle_units args to the align_tensor.init() user function.


Modified:
    branches/N_state_model/prompt/align_tensor.py

Modified: branches/N_state_model/prompt/align_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/N_state_model/prompt/align_tensor.py?rev=3998&r1=3997&r2=3998&view=diff
==============================================================================
--- branches/N_state_model/prompt/align_tensor.py (original)
+++ branches/N_state_model/prompt/align_tensor.py Mon Nov 26 12:34:11 2007
@@ -135,13 +135,17 @@
         align_tensor.display()
 
 
-    def init(self, params=None, param_types=0, errors=0):
+    def init(self, params=None, scale=1.0, angle_units='deg', param_types=0, 
errors=0):
         """Function for initialising the alignment tensor.
 
         Keyword Arguments
         ~~~~~~~~~~~~~~~~~
 
         params:  The alignment tensor data.
+
+        scale:  The alignment tensor eigenvalue scaling value.
+
+        angle_units:  The units for the angle parameters.
 
         param_types:  A flag to select different parameter combinations.
 
@@ -156,7 +160,8 @@
         the parameters of the tensor, which can be specified by the 
param_types argument, where the
         values correspond to
 
-            0:  (Szz, Sxx-yy, Sxy, Sxz, Syz)  (in units of Hertz),
+            0:  (Axx, Ayy, Axy, Axz, Ayz)  (in units of Hertz),
+            1:  (Azz, Axx-yy, Axy, Axz, Ayz)  (Pales format in units of 
Hertz),
 
         (other formats may be implemented later).
 
@@ -166,18 +171,22 @@
 
         To set a rhombic tensor to the run 'CaM', type one of:
 
-        relax> align_tensor.init((-8.6322e-05, -5.5786e-04, -3.1732e-05, 
2.2927e-05, 2.8599e-04))
-        relax> align_tensor.init((-8.6322e-05, -5.5786e-04, -3.1732e-05, 
2.2927e-05, 2.8599e-04), 0)
+        relax> align_tensor.init((-8.6322e-05, -5.5786e-04, -3.1732e-05, 
2.2927e-05, 2.8599e-04),
+                                 param_types=1)
+        relax> align_tensor.init((-8.6322e-05, -5.5786e-04, -3.1732e-05, 
2.2927e-05, 2.8599e-04),
+                                 param_types=1)
         relax> align_tensor.init(params=(-8.6322e-05, -5.5786e-04, 
-3.1732e-05, 2.2927e-05,
-                                 2.8599e-04))
+                                 2.8599e-04), param_types=1)
         relax> align_tensor.init(params=(-8.6322e-05, -5.5786e-04, 
-3.1732e-05, 2.2927e-05,
-                                 2.8599e-04), param_types=0)
+                                 2.8599e-04), param_types=1)
         """
 
         # Function intro text.
         if self.__relax__.interpreter.intro:
             text = sys.ps3 + "align_tensor.init("
             text = text + "params=" + `params`
+            text = text + ", scale=" + `scale`
+            text = text + ", angle_units=" + `angle_units`
             text = text + ", param_types=" + `param_types`
             text = text + ", errors=" + `errors` + ")"
             print text
@@ -192,6 +201,14 @@
                 if type(params[i]) != float and type(params[i]) != int:
                     raise RelaxNumTupleError, ('alignment tensor 
parameters', params)
 
+        # Scale argument.
+        if type(scale) != float:
+            raise RelaxFloatError, ('scale', scale)
+
+        # Angle units argument.
+        if type(angle_units) != str:
+            raise RelaxStrError, ('angle units', angle_units)
+
         # Parameter types argument.
         if type(param_types) != int:
             raise RelaxIntError, ('parameter types', param_types)
@@ -201,4 +218,4 @@
             raise RelaxBinError, ('errors flag', errors)
 
         # Execute the functional code.
-        align_tensor.init(params=params, param_types=param_types, 
errors=errors)
+        align_tensor.init(params=params, scale=scale, 
angle_units=angle_units, param_types=param_types, errors=errors)