Author: bugman Date: Wed Jul 11 18:00:45 2012 New Revision: 17233 URL: http://svn.gna.org/viewcvs/relax?rev=17233&view=rev Log: Fixes for the dipole_pair.read_dist user function. Modified: trunk/generic_fns/dipole_pair.py Modified: trunk/generic_fns/dipole_pair.py URL: http://svn.gna.org/viewcvs/relax/trunk/generic_fns/dipole_pair.py?rev=17233&r1=17232&r2=17233&view=diff ============================================================================== --- trunk/generic_fns/dipole_pair.py (original) +++ trunk/generic_fns/dipole_pair.py Wed Jul 11 18:00:45 2012 @@ -31,11 +31,11 @@ # relax module imports. from arg_check import is_float from generic_fns.interatomic import create_interatom, exists_data, interatomic_loop, return_interatom -from generic_fns.mol_res_spin import Selection, return_spin, spin_loop +from generic_fns.mol_res_spin import Selection, exists_mol_res_spin_data, return_spin, spin_loop from generic_fns import pipes from relax_errors import RelaxError, RelaxNoInteratomError from relax_io import extract_data, write_data -from relax_warnings import RelaxZeroVectorWarning +from relax_warnings import RelaxWarning, RelaxZeroVectorWarning def define(spin_id1=None, spin_id2=None, pipe=None, direct_bond=False, verbose=True): @@ -197,6 +197,10 @@ # Get the interatomic data container. interatom = return_interatom(spin_id1, spin_id2) + + # No container found. + if interatom == None: + raise RelaxNoInteratomError(spin_id1=spin_id1, spin_id2=spin_id2) # Store the averaged distance. interatom.r = ave_dist