"Fossies" - the Fresh Open Source Software Archive  

Source code changes of the file "modules/pmg_qt/properties_dialog.py" between
pymol-open-source-2.2.0.tar.gz and pymol-open-source-2.3.0.tar.gz

About: PyMOL is a Python-enhanced molecular graphics tool. It excels at 3D visualization of proteins, small molecules, density, surfaces, and trajectories. It also includes molecular editing, ray tracing, and movies. Open Source version.

properties_dialog.py  (pymol-open-source-2.2.0)	:	properties_dialog.py  (pymol-open-source-2.3.0)
skipping to change at line 78		skipping to change at line 78
item_ostate_properties = Ellipsis # Incentive PyMOL only		item_ostate_properties = Ellipsis # Incentive PyMOL only
item_atom = make_cat(form.treeWidget, "Atom-Level")		item_atom = make_cat(form.treeWidget, "Atom-Level")
item_atom_identifiers = make_cat(item_atom, "Identifiers")		item_atom_identifiers = make_cat(item_atom, "Identifiers")
item_atom_builtins = make_cat(item_atom, "Properties (built-in)")		item_atom_builtins = make_cat(item_atom, "Properties (built-in)")
item_atom_settings = make_cat(item_atom, "Settings")		item_atom_settings = make_cat(item_atom, "Settings")
item_atom_properties = Ellipsis # Incentive PyMOL only		item_atom_properties = Ellipsis # Incentive PyMOL only
item_astate = make_cat(form.treeWidget, "Atom-State-Level")		item_astate = make_cat(form.treeWidget, "Atom-State-Level")
item_astate_builtins = make_cat(item_astate, "Properties (built-in)")		item_astate_builtins = make_cat(item_astate, "Properties (built-in)")
item_astate_settings = Ellipsis # Incentive PyMOL only		item_astate_settings = make_cat(item_astate, "Settings")
keys_atom_identifiers = ['model', 'index', 'segi', 'chain', 'resi',		keys_atom_identifiers = ['model', 'index', 'segi', 'chain', 'resi',
'resn', 'name', 'alt', 'ID', 'rank']		'resn', 'name', 'alt', 'ID', 'rank']
keys_atom_builtins = ['elem', 'q', 'b', 'type', 'formal_charge',		keys_atom_builtins = ['elem', 'q', 'b', 'type', 'formal_charge',
'partial_charge', 'numeric_type', 'text_type',		'partial_charge', 'numeric_type', 'text_type',
# avoid stereo auto-assignment errors		# avoid stereo auto-assignment errors
# 'stereo',		# 'stereo',
'vdw', 'ss', 'color', 'reps',		'vdw', 'ss', 'color', 'reps',
'protons', 'geom', 'valence', 'elec_radius']		'protons', 'geom', 'valence', 'elec_radius']
keys_astate_builtins = ['state', 'x', 'y', 'z']		keys_astate_builtins = ['state', 'x', 'y', 'z']
skipping to change at line 212		skipping to change at line 212
value = ns[key]		value = ns[key]
except Exception as e:		except Exception as e:
value = 'ERROR: ' + str(e)		value = 'ERROR: ' + str(e)
items[key].setText(1, str(value))		items[key].setText(1, str(value))
update_atom_settings(ns['s'], item_atom_settings)		update_atom_settings(ns['s'], item_atom_settings)
def update_astate_fields(ns):		def update_astate_fields(ns):
for key in keys_astate_builtins:		for key in keys_astate_builtins:
value = ns[key]		value = ns[key]
items[key].setText(1, str(value))		items[key].setText(1, str(value))
		update_atom_settings(ns['s'], item_astate_settings)
space = {		space = {
'update_atom_fields': update_atom_fields,		'update_atom_fields': update_atom_fields,
'update_astate_fields': update_astate_fields,		'update_astate_fields': update_astate_fields,
'locals': locals,		'locals': locals,
}		}
def update_from_pk1():		def update_from_pk1():
pk1_atom = []		pk1_atom = []
if cmd.iterate('?pk1', 'pk1_atom[:] = [model, index]', space=locals()) > 0:		if cmd.iterate('?pk1', 'pk1_atom[:] = [model, index]', space=locals()) > 0:
End of changes. 2 change blocks.
1 lines changed or deleted		2 lines changed or added

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