Difference between revisions of "Spin loop"
Jump to navigation
Jump to search
| Line 10: | Line 10: | ||
for spin, spin_id in spin_loop(return_id=True, skip_desel=True): | for spin, spin_id in spin_loop(return_id=True, skip_desel=True): | ||
print("Spin '%s', model '%s'" % (spin_id, spin.model)) | print("Spin '%s', model '%s'" % (spin_id, spin.model)) | ||
| + | </source> | ||
| − | + | To see available information in the spin class | |
| + | <source lang="python"> | ||
dir(spin) | dir(spin) | ||
| + | dir(spin) | ||
| + | ['__class__', '__clone__', '__deepcopy__', '__delattr__', '__dict__', '__doc__', '__format__', '__getattribute__', '__hash__', '__init__', | ||
| + | '__module__', '__new__', '__reduce__', '__reduce_ex__', '__repr__', '__setattr__', '__sizeof__', '__str__', | ||
| + | '__subclasshook__', '__weakref__', '_back_compat_hook', '_back_compat_hook_mf_data', '_back_compat_hook_ri_data', | ||
| + | '_mol_index', '_mol_name', '_res_index', '_res_name', '_res_num', '_spin_ids', '_spin_index', | ||
| + | 'chi2', 'chi2_sim', 'f_count', 'f_count_sim', 'g_count', 'g_count_sim', 'h_count', 'h_count_sim', 'intensities', 'intensity_err', 'is_empty', | ||
| + | 'isotope', 'iter', 'iter_sim', 'kex', 'kex_err', 'kex_sim', 'model', 'name', 'num', 'params', 'phi_ex', 'phi_ex_err', | ||
| + | 'phi_ex_sim', 'r2', 'r2_err', 'r2_sim', 'r2eff', 'r2eff_bc', 'r2eff_err', 'r2eff_sim', 'select', 'select_sim', 'warning', 'warning_sim'] | ||
</source> | </source> | ||
== See also == | == See also == | ||
[[Category:Results]] | [[Category:Results]] | ||
Revision as of 14:00, 17 June 2013
View results per spin
- Looking at the contents of the spin viewer window in the GUI,
- Opening a relax results or state XML file in a text editor,
- Looking at the cdp.mol[i].res[j].spin[k] data structure.
Looping
from pipe_control.mol_res_spin import spin_loop
for spin, spin_id in spin_loop(return_id=True, skip_desel=True):
print("Spin '%s', model '%s'" % (spin_id, spin.model))
To see available information in the spin class
dir(spin)
dir(spin)
['__class__', '__clone__', '__deepcopy__', '__delattr__', '__dict__', '__doc__', '__format__', '__getattribute__', '__hash__', '__init__',
'__module__', '__new__', '__reduce__', '__reduce_ex__', '__repr__', '__setattr__', '__sizeof__', '__str__',
'__subclasshook__', '__weakref__', '_back_compat_hook', '_back_compat_hook_mf_data', '_back_compat_hook_ri_data',
'_mol_index', '_mol_name', '_res_index', '_res_name', '_res_num', '_spin_ids', '_spin_index',
'chi2', 'chi2_sim', 'f_count', 'f_count_sim', 'g_count', 'g_count_sim', 'h_count', 'h_count_sim', 'intensities', 'intensity_err', 'is_empty',
'isotope', 'iter', 'iter_sim', 'kex', 'kex_err', 'kex_sim', 'model', 'name', 'num', 'params', 'phi_ex', 'phi_ex_err',
'phi_ex_sim', 'r2', 'r2_err', 'r2_sim', 'r2eff', 'r2eff_bc', 'r2eff_err', 'r2eff_sim', 'select', 'select_sim', 'warning', 'warning_sim']
