Author: bugman Date: Sun Mar 24 21:55:58 2013 New Revision: 19150 URL: http://svn.gna.org/viewcvs/relax?rev=19150&view=rev Log: Fixes for the cone PDB representation. Modified: trunk/lib/structure/represent/cone.py trunk/specific_analyses/n_state_model.py Modified: trunk/lib/structure/represent/cone.py URL: http://svn.gna.org/viewcvs/relax/trunk/lib/structure/represent/cone.py?rev=19150&r1=19149&r2=19150&view=diff ============================================================================== --- trunk/lib/structure/represent/cone.py (original) +++ trunk/lib/structure/represent/cone.py Sun Mar 24 21:55:58 2013 @@ -25,6 +25,7 @@ # relax module imports. from lib.geometry.rotations import two_vect_to_R +from pipe_control.structure.geometric import angles_uniform, get_proton_name def cone_edge(mol=None, cone=None, res_name='CON', res_num=None, chain_id='', apex=None, axis=None, R=None, scale=None, inc=None, distribution='uniform', debug=False): Modified: trunk/specific_analyses/n_state_model.py URL: http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/n_state_model.py?rev=19150&r1=19149&r2=19150&view=diff ============================================================================== --- trunk/specific_analyses/n_state_model.py (original) +++ trunk/specific_analyses/n_state_model.py Sun Mar 24 21:55:58 2013 @@ -47,6 +47,7 @@ from lib.errors import RelaxError, RelaxInfError, RelaxNaNError, RelaxNoModelError, RelaxNoValueError, RelaxSpinTypeError from lib.io import open_write_file from lib.structure.cones import Iso_cone +from lib.structure.represent.cone import cone_edge, stitch_cone_to_edge from lib.structure.internal.object import Internal from lib.warnings import RelaxWarning from specific_analyses.api_base import API_base @@ -521,14 +522,14 @@ # Generate the cone outer edge. print("\nGenerating the cone outer edge.") cap_start_atom = mol.atom_num[-1]+1 - geometric.cone_edge(mol=mol, cone=cone, res_name='CON', res_num=3, apex=cdp.pivot_point, R=R, scale=norm(cdp.pivot_CoM), inc=inc) + cone_edge(mol=mol, cone=cone, res_name='CON', res_num=3, apex=cdp.pivot_point, R=R, scale=norm(cdp.pivot_CoM), inc=inc) # Generate the cone cap, and stitch it to the cone edge. if cone_type == 'diff in cone': print("\nGenerating the cone cap.") cone_start_atom = mol.atom_num[-1]+1 geometric.generate_vector_dist(mol=mol, res_name='CON', res_num=3, centre=cdp.pivot_point, R=R, limit_check=cone.limit_check, scale=norm(cdp.pivot_CoM), inc=inc) - geometric.stitch_cone_to_edge(mol=mol, cone=cone, dome_start=cone_start_atom, edge_start=cap_start_atom+1, inc=inc) + stitch_cone_to_edge(mol=mol, cone=cone, dome_start=cone_start_atom, edge_start=cap_start_atom+1, inc=inc) # Create the PDB file. print("\nGenerating the PDB file.")