Author: bugman Date: Tue Nov 18 13:46:26 2014 New Revision: 26612 URL: http://svn.gna.org/viewcvs/relax?rev=26612&view=rev Log: Improvements to the description of the align_tensor.matrix_angles user function.
Modified: trunk/user_functions/align_tensor.py Modified: trunk/user_functions/align_tensor.py URL: http://svn.gna.org/viewcvs/relax/trunk/user_functions/align_tensor.py?rev=26612&r1=26611&r2=26612&view=diff ============================================================================== --- trunk/user_functions/align_tensor.py (original) +++ trunk/user_functions/align_tensor.py Tue Nov 18 13:46:26 2014 @@ -322,10 +322,10 @@ ) # Description. uf.desc.append(Desc_container()) -uf.desc[-1].add_paragraph("This will calculate the angles between all loaded alignment tensors for the current data pipe. Depending upon the basis set, the matrices are first converted to a 5D vector form and then then angles are calculated. The angles are dependent upon the basis set:") -uf.desc[-1].add_item_list_element("0", "The basis set {Sxx, Syy, Sxy, Sxz, Syz},") -uf.desc[-1].add_item_list_element("1", "The basis set {Szz, Sxxyy, Sxy, Sxz, Syz} of the Pales standard notation,") -uf.desc[-1].add_item_list_element("2", "The full matrix angle via the Euclidean inner product of the alignment matrices together with the Frobenius norm ||A||_F.") +uf.desc[-1].add_paragraph("This will calculate the inter-matrix angles between all loaded alignment tensors for the current data pipe. For the 5D basis sets, the matrices are first converted to a 5D vector form and then then the inter-vector angles, rather than inter-matrix angles, are calculated. The angles are dependent upon the basis set:") +uf.desc[-1].add_item_list_element("0", "The unitary 5D basis set {Sxx, Syy, Sxy, Sxz, Syz}.") +uf.desc[-1].add_item_list_element("1", "The geometric 5D basis set {Szz, Sxxyy, Sxy, Sxz, Syz}. This is also the Pales standard notation.") +uf.desc[-1].add_item_list_element("2", "The standard inter-matrix angle. This is the default option. The angle is calculated via the Euclidean inner product of the alignment matrices in rank-2, 3D form divided by the Frobenius norm ||A||_F of the matrices.") uf.desc[-1].add_paragraph("The full matrix angle via the Euclidean inner product is defined as:") uf.desc[-1].add_verbatim(""" / <A1 , A2> \ @@ -333,7 +333,7 @@ \ ||A1|| ||A2|| / """) uf.desc[-1].add_paragraph("where <a,b> is the Euclidean inner product and ||a|| is the Frobenius norm of the matrix.") -uf.desc[-1].add_paragraph("Note that the inner product solution is a linear map which hence preserves angles, whereas the {Sxx, Syy, Sxy, Sxz, Syz} and {Szz, Sxxyy, Sxy, Sxz, Syz} basis sets are non-linear maps which do not preserve angles. Therefore the angles from all three basis sets will be different.") +uf.desc[-1].add_paragraph("The inner product solution is a linear map and thereby preserves angles, whereas the {Sxx, Syy, Sxy, Sxz, Syz} and {Szz, Sxxyy, Sxy, Sxz, Syz} basis sets are non-linear maps which do not preserve angles. Therefore the angles from all three basis sets will be different.") uf.backend = align_tensor.matrix_angles uf.menu_text = "&matrix_angles" uf.gui_icon = "oxygen.categories.applications-education" _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-commits mailing list relax-commits@gna.org To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-commits