Author: bugman Date: Mon Dec 5 15:20:53 2011 New Revision: 15026 URL: http://svn.gna.org/viewcvs/relax?rev=15026&view=rev Log: Removal of the spin_id arg from the align_tensor.set_domain user function. A new approach will be soon used with a generic 'domain' user function for defining multiple structural domains. The r15021 of generic_fns/align_tensor.py was reverted, but the prompt code was directly deleted instead due to the change of the code to the new user function design. Modified: branches/frame_order_testing/generic_fns/align_tensor.py branches/frame_order_testing/prompt/align_tensor.py Modified: branches/frame_order_testing/generic_fns/align_tensor.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/generic_fns/align_tensor.py?rev=15026&r1=15025&r2=15026&view=diff ============================================================================== --- branches/frame_order_testing/generic_fns/align_tensor.py (original) +++ branches/frame_order_testing/generic_fns/align_tensor.py Mon Dec 5 15:20:53 2011 @@ -35,7 +35,6 @@ from angles import wrap_angles from data.align_tensor import AlignTensorList from generic_fns import pipes -from generic_fns.mol_res_spin import spin_loop from physical_constants import g1H, h_bar, kB, mu0, return_gyromagnetic_ratio from relax_errors import RelaxError, RelaxNoTensorError, RelaxStrError, RelaxTensorError, RelaxUnknownParamCombError, RelaxUnknownParamError @@ -1790,15 +1789,13 @@ """ -def set_domain(tensor=None, domain=None, spin_id=None): +def set_domain(tensor=None, domain=None): """Set the domain label for the given tensor. - @param tensor: The alignment tensor label. - @type tensor: str - @param domain: The domain label. - @type domain: str - @keyword spin_id: The spin ID string. - @type spin_id: None or str + @param tensor: The alignment tensor label. + @type tensor: str + @param domain: The domain label. + @type domain: str """ # Loop over the tensors. @@ -1813,16 +1810,6 @@ if not match: raise RelaxNoTensorError('alignment', tensor) - # Label the spins by domain. - if spin_id != None: - for spin in spin_loop(spin_id): - # Initialise. - if not hasattr(spin, 'domain'): - spin.domain = {} - - # Set the domain. - spin.domain[tensor] = domain - def svd(basis_set=0, tensors=None): """Function for calculating the singular values of all the loaded tensors. Modified: branches/frame_order_testing/prompt/align_tensor.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/prompt/align_tensor.py?rev=15026&r1=15025&r2=15026&view=diff ============================================================================== --- branches/frame_order_testing/prompt/align_tensor.py (original) +++ branches/frame_order_testing/prompt/align_tensor.py Mon Dec 5 15:20:53 2011 @@ -346,30 +346,27 @@ align_tensor.reduction(full_tensor=full_tensor, red_tensor=red_tensor) - def set_domain(self, tensor=None, domain=None, spin_id=None): + def set_domain(self, tensor=None, domain=None): # Function intro text. if self._exec_info.intro: text = self._exec_info.ps3 + "align_tensor.set_domain(" text = text + "tensor=" + repr(tensor) - text = text + ", domain=" + repr(domain) - text = text + ", spin_id=" + repr(spin_id) + ")" + text = text + ", domain=" + repr(domain) + ")" print(text) # The argument checks. arg_check.is_str(tensor, 'tensor') arg_check.is_str(domain, 'domain') - arg_check.is_str(spin_id, 'spin ID string', can_be_none=True) - - # Execute the functional code. - align_tensor.set_domain(tensor=tensor, domain=domain, spin_id=spin_id) + + # Execute the functional code. + align_tensor.set_domain(tensor=tensor, domain=domain) # The function doc info. set_domain._doc_title = "Set the domain information for the alignment tensor." set_domain._doc_title_short = "Domain information." set_domain._doc_args = [ ["tensor", "The alignment tensor to assign the domain label to."], - ["domain", "The domain label."], - ["spin_id", "The spin ID string to restrict the loading of data to certain spin subsets."] + ["domain", "The domain ID string."] ] set_domain._doc_desc = """ Prior to optimisation of the N-state model or Frame Order theories, the domain to which each alignment tensor belongs must be specified. Additionally, the spins attached to this rigid frame can also be specified.