Author: bugman
Date: Fri Dec 4 16:10:57 2009
New Revision: 10056
URL: http://svn.gna.org/viewcvs/relax?rev=10056&view=rev
Log:
Alphabetical reordering of the functions.
Modified:
1.3/data/align_tensor.py
Modified: 1.3/data/align_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/data/align_tensor.py?rev=10056&r1=10055&r2=10056&view=diff
==============================================================================
--- 1.3/data/align_tensor.py (original)
+++ 1.3/data/align_tensor.py Fri Dec 4 16:10:57 2009
@@ -143,6 +143,44 @@
tensor_diag[2, 2] = vals[Azz_index]
# Return the tensor.
+def calc_Axxyy(Axx, Ayy):
+ """Function for calculating the Axx-yy value.
+
+ The equation for calculating the parameter is::
+
+ Axx-yy = Axx - Ayy.
+
+ @param Axx: The Axx component of the alignment tensor.
+ @type Axx: float
+ @param Ayy: The Ayy component of the alignment tensor.
+ @type Ayy: float
+ @return: The Axx-yy component of the alignment tensor.
+ @rtype: float
+ """
+
+ # Calculate and return the Axx-yy value.
+ return Axx - Ayy
+
+
+def calc_Azz(Axx, Ayy):
+ """Function for calculating the Azz value.
+
+ The equation for calculating the parameter is::
+
+ Azz = - Axx - Ayy.
+
+ @param Axx: The Axx component of the alignment tensor.
+ @type Axx: float
+ @param Ayy: The Ayy component of the alignment tensor.
+ @type Ayy: float
+ @return: The Azz component of the alignment tensor.
+ @rtype: float
+ """
+
+ # Calculate and return the Azz value.
+ return - Axx - Ayy
+
+
return tensor_diag
@@ -181,124 +219,6 @@
"""
return R_to_euler_zyz(R)
-
-
-def calc_Sxx(Axx):
- """Function for calculating the Axx value.
-
- The equation for calculating the parameter is::
-
- Sxx = 3/2 Axx.
-
- @param Axx: The Axx component of the alignment tensor.
- @type Axx: float
- @rtype: float
- """
-
- # Calculate and return the Axx value.
- return 3.0/2.0 * Axx
-
-
-def calc_Syy(Ayy):
- """Function for calculating the Ayy value.
-
- The equation for calculating the parameter is::
-
- Syy = 3/2 Ayy.
-
- @param Ayy: The Ayy component of the alignment tensor.
- @type Ayy: float
- @rtype: float
- """
-
- # Calculate and return the Ayy value.
- return 3.0/2.0 * Ayy
-
-
-def calc_Sxy(Axy):
- """Function for calculating the Axy value.
-
- The equation for calculating the parameter is::
-
- Sxy = 3/2 Axy.
-
- @param Axy: The Axy component of the alignment tensor.
- @type Axy: float
- @rtype: float
- """
-
- # Calculate and return the Axy value.
- return 3.0/2.0 * Axy
-
-
-def calc_Sxz(Axz):
- """Function for calculating the Axz value.
-
- The equation for calculating the parameter is::
-
- Sxz = 3/2 Axz.
-
- @param Axz: The Axz component of the alignment tensor.
- @type Axz: float
- @rtype: float
- """
-
- # Calculate and return the Axz value.
- return 3.0/2.0 * Axz
-
-
-def calc_Syz(Ayz):
- """Function for calculating the Ayz value.
-
- The equation for calculating the parameter is::
-
- Syz = 3/2 Ayz.
-
- @param Ayz: The Ayz component of the alignment tensor.
- @type Ayz: float
- @rtype: float
- """
-
- # Calculate and return the Ayz value.
- return 3.0/2.0 * Ayz
-
-
-def calc_Axxyy(Axx, Ayy):
- """Function for calculating the Axx-yy value.
-
- The equation for calculating the parameter is::
-
- Axx-yy = Axx - Ayy.
-
- @param Axx: The Axx component of the alignment tensor.
- @type Axx: float
- @param Ayy: The Ayy component of the alignment tensor.
- @type Ayy: float
- @return: The Axx-yy component of the alignment tensor.
- @rtype: float
- """
-
- # Calculate and return the Axx-yy value.
- return Axx - Ayy
-
-
-def calc_Azz(Axx, Ayy):
- """Function for calculating the Azz value.
-
- The equation for calculating the parameter is::
-
- Azz = - Axx - Ayy.
-
- @param Axx: The Axx component of the alignment tensor.
- @type Axx: float
- @param Ayy: The Ayy component of the alignment tensor.
- @type Ayy: float
- @return: The Azz component of the alignment tensor.
- @rtype: float
- """
-
- # Calculate and return the Azz value.
- return - Axx - Ayy
def calc_S(Sxx, Syy, Szz, Sxy, Sxz, Syz):
@@ -414,6 +334,124 @@
return tensor_diag
+def calc_Sxx(Axx):
+ """Function for calculating the Axx value.
+
+ The equation for calculating the parameter is::
+
+ Sxx = 3/2 Axx.
+
+ @param Axx: The Axx component of the alignment tensor.
+ @type Axx: float
+ @rtype: float
+ """
+
+ # Calculate and return the Axx value.
+ return 3.0/2.0 * Axx
+
+
+def calc_Sxxyy(Sxx, Syy):
+ """Function for calculating the Sxx-yy value.
+
+ The equation for calculating the parameter is::
+
+ Sxx-yy = Sxx - Syy.
+
+ @param Sxx: The Sxx component of the Saupe order matrix.
+ @type Sxx: float
+ @param Syy: The Syy component of the Saupe order matrix.
+ @type Syy: float
+ @return: The Sxx-yy component of the Saupe order matrix.
+ @rtype: float
+ """
+
+ # Calculate and return the Sxx-yy value.
+ return Sxx - Syy
+
+
+def calc_Sxy(Axy):
+ """Function for calculating the Axy value.
+
+ The equation for calculating the parameter is::
+
+ Sxy = 3/2 Axy.
+
+ @param Axy: The Axy component of the alignment tensor.
+ @type Axy: float
+ @rtype: float
+ """
+
+ # Calculate and return the Axy value.
+ return 3.0/2.0 * Axy
+
+
+def calc_Sxz(Axz):
+ """Function for calculating the Axz value.
+
+ The equation for calculating the parameter is::
+
+ Sxz = 3/2 Axz.
+
+ @param Axz: The Axz component of the alignment tensor.
+ @type Axz: float
+ @rtype: float
+ """
+
+ # Calculate and return the Axz value.
+ return 3.0/2.0 * Axz
+
+
+def calc_Syy(Ayy):
+ """Function for calculating the Ayy value.
+
+ The equation for calculating the parameter is::
+
+ Syy = 3/2 Ayy.
+
+ @param Ayy: The Ayy component of the alignment tensor.
+ @type Ayy: float
+ @rtype: float
+ """
+
+ # Calculate and return the Ayy value.
+ return 3.0/2.0 * Ayy
+
+
+def calc_Syz(Ayz):
+ """Function for calculating the Ayz value.
+
+ The equation for calculating the parameter is::
+
+ Syz = 3/2 Ayz.
+
+ @param Ayz: The Ayz component of the alignment tensor.
+ @type Ayz: float
+ @rtype: float
+ """
+
+ # Calculate and return the Ayz value.
+ return 3.0/2.0 * Ayz
+
+
+def calc_Szz(Sxx, Syy):
+ """Function for calculating the Szz value.
+
+ The equation for calculating the parameter is::
+
+ Szz = - Sxx - Syy.
+
+ @param Sxx: The Sxx component of the Saupe order matrix.
+ @type Sxx: float
+ @param Syy: The Syy component of the Saupe order matrix.
+ @type Syy: float
+ @return: The Szz component of the Saupe order matrix.
+ @rtype: float
+ """
+
+ # Calculate and return the Szz value.
+ return - Sxx - Syy
+
+
def calc_P(Axx, Ayy, Azz, Axy, Axz, Ayz):
"""Function for calculating the alignment tensor (in the structural
frame).
@@ -549,70 +587,6 @@
return Axx + 1.0/3.0
-def calc_Pyy(Ayy):
- """Function for calculating the Pyy value.
-
- The equation for calculating the parameter is::
-
- Pyy = Ayy + 1/3.
-
- @param Ayy: The Ayy component of the alignment tensor.
- @type Ayy: float
- @rtype: float
- """
-
- # Calculate and return the Pyy value.
- return Ayy + 1.0/3.0
-
-
-def calc_Pxy(Axy):
- """Function for calculating the Pxy value.
-
- The equation for calculating the parameter is::
-
- Pxy = Axy.
-
- @param Axy: The Axy component of the alignment tensor.
- @type Axy: float
- @rtype: float
- """
-
- # Calculate and return the Pxy value.
- return Axy
-
-
-def calc_Pxz(Axz):
- """Function for calculating the Pxz value.
-
- The equation for calculating the parameter is::
-
- Pxz = Axz.
-
- @param Axz: The Axz component of the alignment tensor.
- @type Axz: float
- @rtype: float
- """
-
- # Calculate and return the Pxz value.
- return Axz
-
-
-def calc_Pyz(Ayz):
- """Function for calculating the Pyz value.
-
- The equation for calculating the parameter is::
-
- Pyz = Ayz.
-
- @param Ayz: The Ayz component of the alignment tensor.
- @type Ayz: float
- @rtype: float
- """
-
- # Calculate and return the Pyz value.
- return Ayz
-
-
def calc_Pxxyy(Pxx, Pyy):
"""Function for calculating the Pxx-yy value.
@@ -632,6 +606,70 @@
return Pxx - Pyy
+def calc_Pxy(Axy):
+ """Function for calculating the Pxy value.
+
+ The equation for calculating the parameter is::
+
+ Pxy = Axy.
+
+ @param Axy: The Axy component of the alignment tensor.
+ @type Axy: float
+ @rtype: float
+ """
+
+ # Calculate and return the Pxy value.
+ return Axy
+
+
+def calc_Pxz(Axz):
+ """Function for calculating the Pxz value.
+
+ The equation for calculating the parameter is::
+
+ Pxz = Axz.
+
+ @param Axz: The Axz component of the alignment tensor.
+ @type Axz: float
+ @rtype: float
+ """
+
+ # Calculate and return the Pxz value.
+ return Axz
+
+
+def calc_Pyy(Ayy):
+ """Function for calculating the Pyy value.
+
+ The equation for calculating the parameter is::
+
+ Pyy = Ayy + 1/3.
+
+ @param Ayy: The Ayy component of the alignment tensor.
+ @type Ayy: float
+ @rtype: float
+ """
+
+ # Calculate and return the Pyy value.
+ return Ayy + 1.0/3.0
+
+
+def calc_Pyz(Ayz):
+ """Function for calculating the Pyz value.
+
+ The equation for calculating the parameter is::
+
+ Pyz = Ayz.
+
+ @param Ayz: The Ayz component of the alignment tensor.
+ @type Ayz: float
+ @rtype: float
+ """
+
+ # Calculate and return the Pyz value.
+ return Ayz
+
+
def calc_Pzz(Pxx, Pyy):
"""Function for calculating the Pzz value.
@@ -649,92 +687,6 @@
# Calculate and return the Pzz value.
return 1.0 - Pxx - Pyy
-
-
-def calc_unit_x(R):
- """Calculate the x unit vector.
-
- This is given by the eigenvalue decomposition.
-
-
- @param R: The rotation matrix.
- @type R: numpy 3D, rank-2 array
- @return: The x unit vector.
- @rtype: numpy array (float64)
- """
-
- # Return the x unit vector.
- return R[:, 0]
-
-
-def calc_unit_y(R):
- """Calculate the y unit vector.
-
- This is given by the eigenvalue decomposition.
-
-
- @param R: The rotation matrix.
- @type R: numpy 3D, rank-2 array
- @return: The y unit vector.
- @rtype: numpy array (float64)
- """
-
- # Return the y unit vector.
- return R[:, 1]
-
-
-def calc_unit_z(R):
- """Calculate the z unit vector.
-
- This is given by the eigenvalue decomposition.
-
-
- @param R: The rotation matrix.
- @type R: numpy 3D, rank-2 array
- @return: The z unit vector.
- @rtype: numpy array (float64)
- """
-
- # Return the z unit vector.
- return R[:, 2]
-
-
-def calc_Sxxyy(Sxx, Syy):
- """Function for calculating the Sxx-yy value.
-
- The equation for calculating the parameter is::
-
- Sxx-yy = Sxx - Syy.
-
- @param Sxx: The Sxx component of the Saupe order matrix.
- @type Sxx: float
- @param Syy: The Syy component of the Saupe order matrix.
- @type Syy: float
- @return: The Sxx-yy component of the Saupe order matrix.
- @rtype: float
- """
-
- # Calculate and return the Sxx-yy value.
- return Sxx - Syy
-
-
-def calc_Szz(Sxx, Syy):
- """Function for calculating the Szz value.
-
- The equation for calculating the parameter is::
-
- Szz = - Sxx - Syy.
-
- @param Sxx: The Sxx component of the Saupe order matrix.
- @type Sxx: float
- @param Syy: The Syy component of the Saupe order matrix.
- @type Syy: float
- @return: The Szz component of the Saupe order matrix.
- @rtype: float
- """
-
- # Calculate and return the Szz value.
- return - Sxx - Syy
def calc_R(A):
@@ -765,6 +717,54 @@
# Return the rotation matrix (with the columns reordered).
return array([rot[:,x_index], rot[:,y_index], rot[:,z_index]])
+
+
+def calc_unit_x(R):
+ """Calculate the x unit vector.
+
+ This is given by the eigenvalue decomposition.
+
+
+ @param R: The rotation matrix.
+ @type R: numpy 3D, rank-2 array
+ @return: The x unit vector.
+ @rtype: numpy array (float64)
+ """
+
+ # Return the x unit vector.
+ return R[:, 0]
+
+
+def calc_unit_y(R):
+ """Calculate the y unit vector.
+
+ This is given by the eigenvalue decomposition.
+
+
+ @param R: The rotation matrix.
+ @type R: numpy 3D, rank-2 array
+ @return: The y unit vector.
+ @rtype: numpy array (float64)
+ """
+
+ # Return the y unit vector.
+ return R[:, 1]
+
+
+def calc_unit_z(R):
+ """Calculate the z unit vector.
+
+ This is given by the eigenvalue decomposition.
+
+
+ @param R: The rotation matrix.
+ @type R: numpy 3D, rank-2 array
+ @return: The z unit vector.
+ @rtype: numpy array (float64)
+ """
+
+ # Return the z unit vector.
+ return R[:, 2]
def dependency_generator():
r10056 - /1.3/data/align_tensor.py