Author: bugman
Date: Thu Dec 3 17:51:22 2009
New Revision: 10053
URL: http://svn.gna.org/viewcvs/relax?rev=10053&view=rev
Log:
Modified the alignment tensor print out to be more compact.
Modified:
1.3/generic_fns/align_tensor.py
Modified: 1.3/generic_fns/align_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/align_tensor.py?rev=10053&r1=10052&r2=10053&view=diff
==============================================================================
--- 1.3/generic_fns/align_tensor.py (original)
+++ 1.3/generic_fns/align_tensor.py Thu Dec 3 17:51:22 2009
@@ -226,67 +226,82 @@
data = get_tensor_object(tensor)
# Header.
- print(("Tensor: " + tensor + "\n"))
+ head = "# Tensor: %s #" % tensor
+ print("\n\n\n" + '#' * len(head) + "\n" + head + "\n" + '#' *
len(head))
+
+
+ # The Saupe matrix.
+ ###################
+
+ title = "# Saupe order matrix."
+ print("\n\n" + title + '\n' + '#'*len(title) + '\n')
# The parameter set {Sxx, Syy, Sxy, Sxz, Syz}.
- print("Parameters {Sxx, Syy, Sxy, Sxz, Syz}.")
- print(("%-15s%15.8f" % ("Sxx: ", data.Sxx)))
- print(("%-15s%15.8f" % ("Syy: ", data.Syy)))
- print(("%-15s%15.8f" % ("Sxy: ", data.Sxy)))
- print(("%-15s%15.8f" % ("Sxz: ", data.Sxz)))
- print(("%-15s%15.8f" % ("Syz: ", data.Syz)))
+ print("# 5D, rank-1 notation {Sxx, Syy, Sxy, Sxz, Syz}:")
+ print(("[%25.12e, %25.12e, %25.12e, %25.12e, %25.12e]\n" %
(data.Sxx, data.Syy, data.Sxy, data.Sxz, data.Syz)))
# The parameter set {Szz, Sxx-yy, Sxy, Sxz, Syz}.
- print("\nParameters {Szz, Sxx-yy, Sxy, Sxz, Syz} (the Pales default
format).")
- print(("%-15s%15.8f" % ("Szz: ", data.Szz)))
- print(("%-15s%15.8f" % ("Sxx-yy: ", data.Sxxyy)))
- print(("%-15s%15.8f" % ("Sxy: ", data.Sxy)))
- print(("%-15s%15.8f" % ("Sxz: ", data.Sxz)))
- print(("%-15s%15.8f" % ("Syz: ", data.Syz)))
+ print("# 5D, rank-1 notation {Szz, Sxx-yy, Sxy, Sxz, Syz} (the Pales
default format).")
+ print(("[%25.12e, %25.12e, %25.12e, %25.12e, %25.12e]\n" %
(data.Szz, data.Sxxyy, data.Sxy, data.Sxz, data.Syz)))
+
+ # 3D form.
+ print("# 3D, rank-2 notation.")
+ print("%s" % (3.0/2.0 * data.tensor))
+
+
+ # The alignment tensor.
+ #######################
+
+ title = "# Alignment tensor."
+ print("\n\n" + title + '\n' + '#'*len(title) + '\n')
# The parameter set {Axx, Ayy, Axy, Axz, Ayz}.
- print("\nParameters {Axx, Ayy, Axy, Axz, Ayz}.")
- print(("%-15s%15.8f" % ("Axx: ", data.Axx)))
- print(("%-15s%15.8f" % ("Ayy: ", data.Ayy)))
- print(("%-15s%15.8f" % ("Axy: ", data.Axy)))
- print(("%-15s%15.8f" % ("Axz: ", data.Axz)))
- print(("%-15s%15.8f" % ("Ayz: ", data.Ayz)))
+ print("# 5D, rank-1 notation {Axx, Ayy, Axy, Axz, Ayz}:")
+ print(("[%25.12e, %25.12e, %25.12e, %25.12e, %25.12e]\n" %
(data.Axx, data.Ayy, data.Axy, data.Axz, data.Ayz)))
# The parameter set {Azz, Axx-yy, Axy, Axz, Ayz}.
- print("\nParameters {Azz, Axx-yy, Axy, Axz, Ayz}.")
- print(("%-15s%15.8f" % ("Azz: ", data.Azz)))
- print(("%-15s%15.8f" % ("Axx-yy: ", data.Axxyy)))
- print(("%-15s%15.8f" % ("Axy: ", data.Axy)))
- print(("%-15s%15.8f" % ("Axz: ", data.Axz)))
- print(("%-15s%15.8f" % ("Ayz: ", data.Ayz)))
+ print("# 5D, rank-1 notation {Azz, Axx-yy, Axy, Axz, Ayz} (the Pales
default format).")
+ print(("[%25.12e, %25.12e, %25.12e, %25.12e, %25.12e]\n" %
(data.Azz, data.Axxyy, data.Axy, data.Axz, data.Ayz)))
+
+ # 3D form.
+ print("# 3D, rank-2 notation.")
+ print("%s" % data.tensor)
+
+
+ # The probability tensor.
+ #########################
+
+ title = "# Probability tensor."
+ print("\n\n" + title + '\n' + '#'*len(title) + '\n')
# The parameter set {Pxx, Pyy, Pxy, Pxz, Pyz}.
- print("\nParameters {Pxx, Pyy, Pxy, Pxz, Pyz}.")
- print(("%-15s%15.8f" % ("Pxx: ", data.Pxx)))
- print(("%-15s%15.8f" % ("Pyy: ", data.Pyy)))
- print(("%-15s%15.8f" % ("Pxy: ", data.Pxy)))
- print(("%-15s%15.8f" % ("Pxz: ", data.Pxz)))
- print(("%-15s%15.8f" % ("Pyz: ", data.Pyz)))
+ print("# 5D, rank-1 notation {Pxx, Pyy, Pxy, Pxz, Pyz}:")
+ print(("[%25.12e, %25.12e, %25.12e, %25.12e, %25.12e]\n" %
(data.Pxx, data.Pyy, data.Pxy, data.Pxz, data.Pyz)))
# The parameter set {Pzz, Pxx-yy, Pxy, Pxz, Pyz}.
- print("\nParameters {Pzz, Pxx-yy, Pxy, Pxz, Pyz}.")
- print(("%-15s%15.8f" % ("Pzz: ", data.Pzz)))
- print(("%-15s%15.8f" % ("Pxx-yy: ", data.Pxxyy)))
- print(("%-15s%15.8f" % ("Pxy: ", data.Pxy)))
- print(("%-15s%15.8f" % ("Pxz: ", data.Pxz)))
- print(("%-15s%15.8f" % ("Pyz: ", data.Pyz)))
+ print("# 5D, rank-1 notation {Pzz, Pxx-yy, Pxy, Pxz, Pyz} (the Pales
default format).")
+ print(("[%25.12e, %25.12e, %25.12e, %25.12e, %25.12e]\n" %
(data.Pzz, data.Pxxyy, data.Pxy, data.Pxz, data.Pyz)))
+
+
+ # The Eigensystem.
+ ##################
+
+ title = "# Eigensystem."
+ print("\n\n" + title + '\n' + '#'*len(title) + '\n')
# Eigenvalues.
- print("\nEigenvalues {Axx, Ayy, Azz}.")
- print(("%-15s%15.8f" % ("Axx: ", data.tensor_diag[0, 0])))
- print(("%-15s%15.8f" % ("Ayy: ", data.tensor_diag[1, 1])))
- print(("%-15s%15.8f" % ("Azz: ", data.tensor_diag[2, 2])))
-
- # Eigenvalues.
- print("\nEigenvalues {Sxx, Syy, Szz}.")
- print(("%-15s%15.8f" % ("Sxx: ", 3.0/2.0 * data.tensor_diag[0, 0])))
- print(("%-15s%15.8f" % ("Syy: ", 3.0/2.0 * data.tensor_diag[1, 1])))
- print(("%-15s%15.8f" % ("Szz: ", 3.0/2.0 * data.tensor_diag[2, 2])))
+ print("# Eigenvalues {Sxx, Syy, Szz}.")
+ print(("[%25.12e, %25.12e, %25.12e]\n" % (3.0/2.0 *
data.tensor_diag[0, 0], 3.0/2.0 * data.tensor_diag[1, 1], 3.0/2.0 *
data.tensor_diag[2, 2])))
+ print("# Eigenvalues {Axx, Ayy, Azz}.")
+ print(("[%25.12e, %25.12e, %25.12e]\n" % (data.tensor_diag[0, 0],
data.tensor_diag[1, 1], data.tensor_diag[2, 2])))
+
+ # Eigenvectors.
+ #print("# Eigenvector x.")
+ #print(("[%25.12e, %25.12e, %25.12e]\n" % (data.tensor_diag[0, 0],
data.tensor_diag[1, 1], data.tensor_diag[2, 2])))
+ #print("# Eigenvector y.")
+ #print(("[%25.12e, %25.12e, %25.12e]\n" % (data.tensor_diag[0, 0],
data.tensor_diag[1, 1], data.tensor_diag[2, 2])))
+ #print("# Eigenvector z.")
+ #print(("[%25.12e, %25.12e, %25.12e]\n" % (data.tensor_diag[0, 0],
data.tensor_diag[1, 1], data.tensor_diag[2, 2])))
# Some white space.
print("\n\n\n")
r10053 - /1.3/generic_fns/align_tensor.py