Author: bugman Date: Tue May 8 19:02:18 2012 New Revision: 16118 URL: http://svn.gna.org/viewcvs/relax?rev=16118&view=rev Log: Whitespace clean up. Modified: branches/uf_redesign/user_functions/align_tensor.py Modified: branches/uf_redesign/user_functions/align_tensor.py URL: http://svn.gna.org/viewcvs/relax/branches/uf_redesign/user_functions/align_tensor.py?rev=16118&r1=16117&r2=16118&view=diff ============================================================================== --- branches/uf_redesign/user_functions/align_tensor.py (original) +++ branches/uf_redesign/user_functions/align_tensor.py Tue May 8 19:02:18 2012 @@ -42,39 +42,39 @@ uf.title = "Copy alignment tensor data." uf.title_short = "Alignment tensor copying." uf.add_keyarg( - name = "tensor_from", - default = None, - py_type = "str", - desc_short = "tensor from", - desc = "The identification string of the alignment tensor to copy the data from." -) -uf.add_keyarg( - name = "pipe_from", - default = None, - py_type = "str", - desc_short = "pipe from", - desc = "The name of the data pipe to copy the alignment tensor data from.", - wiz_element_type = 'combo', - wiz_combo_iter = pipes.pipe_names, - can_be_none = True -) -uf.add_keyarg( - name = "tensor_to", - default = None, - py_type = "str", - desc_short = "tensor to", - desc = "The identification string of the alignment tensor to copy the data to.", - can_be_none = True -) -uf.add_keyarg( - name = "pipe_to", - default = None, - py_type = "str", - desc_short = "pipe to", - desc = "The name of the data pipe to copy the alignment tensor data to.", - wiz_element_type = 'combo', - wiz_combo_iter = pipes.pipe_names, - can_be_none = True + name = "tensor_from", + default = None, + py_type = "str", + desc_short = "tensor from", + desc = "The identification string of the alignment tensor to copy the data from." +) +uf.add_keyarg( + name = "pipe_from", + default = None, + py_type = "str", + desc_short = "pipe from", + desc = "The name of the data pipe to copy the alignment tensor data from.", + wiz_element_type = 'combo', + wiz_combo_iter = pipes.pipe_names, + can_be_none = True +) +uf.add_keyarg( + name = "tensor_to", + default = None, + py_type = "str", + desc_short = "tensor to", + desc = "The identification string of the alignment tensor to copy the data to.", + can_be_none = True +) +uf.add_keyarg( + name = "pipe_to", + default = None, + py_type = "str", + desc_short = "pipe to", + desc = "The name of the data pipe to copy the alignment tensor data to.", + wiz_element_type = 'combo', + wiz_combo_iter = pipes.pipe_names, + can_be_none = True ) uf.desc = """ This will copy the alignment tensor data to a new tensor or a new data pipe. The destination data pipe must not contain any alignment tensor data corresponding to the tensor_to label. If the pipe_from or pipe_to arguments are not supplied, then both will default to the current data pipe. Both the tensor_from and tensor_to arguments must be supplied. @@ -111,14 +111,14 @@ uf.title = "Delete alignment tensor data from the relax data store." uf.title_short = "Alignment tensor pipe deletion." uf.add_keyarg( - name = "tensor", - py_type = "str", - desc_short = "tensor", - desc = "The alignment tensor identification string.", - wiz_element_type = 'combo', - wiz_combo_iter = align_tensor.get_ids, - wiz_read_only = True, - can_be_none = True + name = "tensor", + py_type = "str", + desc_short = "tensor", + desc = "The alignment tensor identification string.", + wiz_element_type = 'combo', + wiz_combo_iter = align_tensor.get_ids, + wiz_read_only = True, + can_be_none = True ) uf.desc = """ This will delete the specified alignment tensor data from the current data pipe. If no tensor is specified, all tensors will be deleted. @@ -135,14 +135,14 @@ uf.title_short = "Align tensor display." uf.display = True uf.add_keyarg( - name = "tensor", - py_type = "str", - desc_short = "tensor", - desc = "The alignment tensor identification string.", - wiz_element_type = 'combo', - wiz_combo_iter = align_tensor.get_ids, - wiz_read_only = True, - can_be_none = True + name = "tensor", + py_type = "str", + desc_short = "tensor", + desc = "The alignment tensor identification string.", + wiz_element_type = 'combo', + wiz_combo_iter = align_tensor.get_ids, + wiz_read_only = True, + can_be_none = True ) uf.desc = """ This will show all information relating to the alignment tensor, including the different tensor forms: @@ -168,21 +168,21 @@ uf.title = "Fix all alignment tensors so that they do not change during optimisation." uf.title_short = "Fix alignment tensors." uf.add_keyarg( - name = "id", - py_type = "str", - desc_short = "tensor ID", - desc = "The alignment tensor identification string.", - wiz_element_type = 'combo', - wiz_combo_iter = align_tensor.get_ids, - wiz_read_only = True, - can_be_none = True -) -uf.add_keyarg( - name = "fixed", - default = True, - py_type = "bool", - desc_short = "fixed flag", - desc = "The flag specifying if the tensors should be fixed or variable." + name = "id", + py_type = "str", + desc_short = "tensor ID", + desc = "The alignment tensor identification string.", + wiz_element_type = 'combo', + wiz_combo_iter = align_tensor.get_ids, + wiz_read_only = True, + can_be_none = True +) +uf.add_keyarg( + name = "fixed", + default = True, + py_type = "bool", + desc_short = "fixed flag", + desc = "The flag specifying if the tensors should be fixed or variable." ) uf.desc = """ If the ID string is left unset, then all alignment tensors will be fixed. @@ -198,32 +198,32 @@ uf.title = "Initialise an alignment tensor." uf.title_short = "Alignment tensor initialisation." uf.add_keyarg( - name = "tensor", - py_type = "str", - desc_short = "tensor ID", - desc = "The alignment tensor identification string." -) -uf.add_keyarg( - name = "params", - py_type = "num_tuple", - desc_short = "alignment tensor parameters", - size = 5, - desc = "The alignment tensor data.", - wiz_read_only = False -) -uf.add_keyarg( - name = "scale", - default = 1.0, - py_type = "float", - desc_short = "scale", - desc = "The alignment tensor eigenvalue scaling value." -) -uf.add_keyarg( - name = "angle_units", - default = "deg", - py_type = "str", - desc_short = "angle units", - desc = "The units for the angle parameters." + name = "tensor", + py_type = "str", + desc_short = "tensor ID", + desc = "The alignment tensor identification string." +) +uf.add_keyarg( + name = "params", + py_type = "num_tuple", + desc_short = "alignment tensor parameters", + size = 5, + desc = "The alignment tensor data.", + wiz_read_only = False +) +uf.add_keyarg( + name = "scale", + default = 1.0, + py_type = "float", + desc_short = "scale", + desc = "The alignment tensor eigenvalue scaling value." +) +uf.add_keyarg( + name = "angle_units", + default = "deg", + py_type = "str", + desc_short = "angle units", + desc = "The units for the angle parameters." ) uf.add_keyarg( name = "param_types", @@ -255,11 +255,11 @@ wiz_read_only = True ) uf.add_keyarg( - name = "errors", - default = False, - py_type = "bool", - desc_short = "errors flag", - desc = "A flag which determines if the alignment tensor data or its errors are being input." + name = "errors", + default = False, + py_type = "bool", + desc_short = "errors flag", + desc = "A flag which determines if the alignment tensor data or its errors are being input." ) uf.desc = """ Using this function, the alignment tensor data can be set up. The params argument should be a tuple of floating point numbers (a list surrounded by round brakets). These correspond to the parameters of the tensor, which can be specified by the param_types argument, where the values correspond to: @@ -304,24 +304,24 @@ uf.title_short = "Alignment tensor angle calculation." uf.display = True uf.add_keyarg( - name = "basis_set", - default = 0, - py_type = "int", - desc_short = "basis set", - desc = "The basis set to operate with.", - wiz_element_type = "combo", - wiz_combo_choices = ["{Sxx, Syy, Sxy, Sxz, Syz}", "{Szz, Sxxyy, Sxy, Sxz, Syz}"], - wiz_combo_data = [0, 1] -) -uf.add_keyarg( - name = "tensors", - py_type = "str_list", - desc_short = "alignment tensor IDs", - desc = "A list of the tensors to apply the calculation to. If None, all tensors are used.", - wiz_element_type = "combo_list", - wiz_combo_iter = align_tensor.get_ids, - wiz_read_only = True, - can_be_none = True + name = "basis_set", + default = 0, + py_type = "int", + desc_short = "basis set", + desc = "The basis set to operate with.", + wiz_element_type = "combo", + wiz_combo_choices = ["{Sxx, Syy, Sxy, Sxz, Syz}", "{Szz, Sxxyy, Sxy, Sxz, Syz}"], + wiz_combo_data = [0, 1] +) +uf.add_keyarg( + name = "tensors", + py_type = "str_list", + desc_short = "alignment tensor IDs", + desc = "A list of the tensors to apply the calculation to. If None, all tensors are used.", + wiz_element_type = "combo_list", + wiz_combo_iter = align_tensor.get_ids, + wiz_read_only = True, + can_be_none = True ) uf.desc = """ This will calculate the angles between all loaded alignment tensors for the current data pipe. The matrices are first converted to a 5D vector form and then then angles are calculated. The angles are dependent on the basis set. If the basis_set argument is set to the default of 0, the vectors {Sxx, Syy, Sxy, Sxz, Syz} are used. If the basis_set argument is set to 1, the vectors {Szz, Sxxyy, Sxy, Sxz, Syz} are used instead. @@ -338,22 +338,22 @@ uf.title = "Specify that one tensor is a reduction of another." uf.title_short = "Specify tensor reductions." uf.add_keyarg( - name = "full_tensor", - py_type = "str", - desc_short = "full tensor", - desc = "The full alignment tensor.", - wiz_element_type = 'combo', - wiz_combo_iter = align_tensor.get_ids, - wiz_read_only = True -) -uf.add_keyarg( - name = "red_tensor", - py_type = "str", - desc_short = "reduced tensor", - desc = "The reduced alignment tensor.", - wiz_element_type = 'combo', - wiz_combo_iter = align_tensor.get_ids, - wiz_read_only = True + name = "full_tensor", + py_type = "str", + desc_short = "full tensor", + desc = "The full alignment tensor.", + wiz_element_type = 'combo', + wiz_combo_iter = align_tensor.get_ids, + wiz_read_only = True +) +uf.add_keyarg( + name = "red_tensor", + py_type = "str", + desc_short = "reduced tensor", + desc = "The reduced alignment tensor.", + wiz_element_type = 'combo', + wiz_combo_iter = align_tensor.get_ids, + wiz_read_only = True ) uf.desc = """ Prior to optimisation of the N-state model and Frame Order theories using alignment tensors, which tensor is a reduction of which other tensor must be specified through this user function. @@ -373,19 +373,19 @@ uf.title = "Set the domain label for the alignment tensor." uf.title_short = "Tensor domain labelling." uf.add_keyarg( - name = "tensor", - py_type = "str", - desc_short = "tensor ID", - desc = "The alignment tensor to assign the domain label to.", - wiz_element_type = 'combo', - wiz_combo_iter = align_tensor.get_ids, - wiz_read_only = True, -) -uf.add_keyarg( - name = "domain", - py_type = "str", - desc_short = "domain", - desc = "The domain label." + name = "tensor", + py_type = "str", + desc_short = "tensor ID", + desc = "The alignment tensor to assign the domain label to.", + wiz_element_type = 'combo', + wiz_combo_iter = align_tensor.get_ids, + wiz_read_only = True, +) +uf.add_keyarg( + name = "domain", + py_type = "str", + desc_short = "domain", + desc = "The domain label." ) uf.desc = """ Prior to optimisation of the N-state model or Frame Order theories, the domain to which each alignment tensor belongs must be specified. @@ -407,24 +407,24 @@ uf.title_short = "Alignment tensor SVD calculation." uf.display = True uf.add_keyarg( - name = "basis_set", - default = 0, - py_type = "int", - desc_short = "basis set", - desc = "The basis set to operate with.", - wiz_element_type = "combo", - wiz_combo_choices = ["{Sxx, Syy, Sxy, Sxz, Syz}", "{Szz, Sxxyy, Sxy, Sxz, Syz}"], - wiz_combo_data = [0, 1] -) -uf.add_keyarg( - name = "tensors", - py_type = "str_list", - desc_short = "alignment tensor IDs", - desc = "A list of the tensors to apply the calculation to. If None, all tensors are used.", - wiz_element_type = "combo_list", - wiz_combo_iter = align_tensor.get_ids, - wiz_read_only = True, - can_be_none = True + name = "basis_set", + default = 0, + py_type = "int", + desc_short = "basis set", + desc = "The basis set to operate with.", + wiz_element_type = "combo", + wiz_combo_choices = ["{Sxx, Syy, Sxy, Sxz, Syz}", "{Szz, Sxxyy, Sxy, Sxz, Syz}"], + wiz_combo_data = [0, 1] +) +uf.add_keyarg( + name = "tensors", + py_type = "str_list", + desc_short = "alignment tensor IDs", + desc = "A list of the tensors to apply the calculation to. If None, all tensors are used.", + wiz_element_type = "combo_list", + wiz_combo_iter = align_tensor.get_ids, + wiz_read_only = True, + can_be_none = True ) uf.desc = """ This will perform a singular value decomposition of all tensors loaded for the current data pipe. If the basis_set argument is set to the default of 0, the matrix on which SVD will be performed is composed of the unitary basis set {Sxx, Syy, Sxy, Sxz, Syz} layed out as: