def setter(w, val):
order_map = {x: i for i, x in enumerate(val)}
items = list(w.defaults)
limit = len(items)
items.sort(key=lambda x: order_map.get(x, limit))
w.clear()
for x in items:
i = QListWidgetItem(w)
i.setText(x)
i.setFlags(i.flags() | Qt.ItemIsDragEnabled)
def setter(w, val):
order_map = {x:i for i, x in enumerate(val)}
items = list(w.defaults)
limit = len(items)
items.sort(key=lambda x:order_map.get(x, limit))
w.clear()
for x in items:
i = QListWidgetItem(w)
i.setText(x)
i.setFlags(i.flags() | Qt.ItemIsDragEnabled)
def display(self, statsView):
"""
Display the statistics in the listview widget 'statsView'
"""
# Subtract singlets from total number of atoms
self.num_atoms = self.natoms - self.nsinglets
item = QListWidgetItem()
item.setText("Measure Dihedral:" + str(self.num_mdihedral))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Measure Angle:" + str(self.num_mangle))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Measure Distance:" + str(self.num_mdistance))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Grid Plane:" + str(self.num_gridplane))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("ESP Image:" + str(self.num_espimage))
statsView.addItem(item)
item = QListWidgetItem()
if sys.platform == "win32":
item.setText("PC GAMESS:" + str(self.ngamess))
else:
item.setText("GAMESS:" + str(self.ngamess))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Thermometers:" + str(self.nthermos))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Thermostats:" + str(self.nstats))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Anchors:" + str(self.nanchors))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Linear Motors:" + str(self.nlmotors))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Rotary Motors:" + str(self.nrmotors))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Groups:" + str(self.ngroups))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Bondpoints:" + str(self.nsinglets))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Atoms:" + str(self.num_atoms))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Chunks:" + str(self.nchunks))
statsView.addItem(item)
def accept(self):
col = unicode(self.column_name_box.text()).strip()
if not col:
return self.simple_error('', _('No lookup name was provided'))
if col.startswith('#'):
col = col[1:]
if re.match('^\w*$',
col) is None or not col[0].isalpha() or col.lower() != col:
return self.simple_error(
'',
_('The lookup name must contain only '
'lower case letters, digits and underscores, and start with a letter'
))
if col.endswith('_index'):
return self.simple_error(
'',
_('Lookup names cannot end with _index, '
'because these names are reserved for the index of a series column.'
))
col_heading = unicode(self.column_heading_box.text()).strip()
col_type = self.column_types[
self.column_type_box.currentIndex()]['datatype']
if col_type[0] == '*':
col_type = col_type[1:]
is_multiple = True
else:
is_multiple = False
if not col_heading:
return self.simple_error('', _('No column heading was provided'))
db = self.parent.gui.library_view.model().db
key = db.field_metadata.custom_field_prefix + col
bad_col = False
if key in self.parent.custcols:
if not self.editing_col or \
self.parent.custcols[key]['colnum'] != self.orig_column_number:
bad_col = True
if bad_col:
return self.simple_error(
'',
_('The lookup name %s is already used') % col)
bad_head = False
for t in self.parent.custcols:
if self.parent.custcols[t]['name'] == col_heading:
if not self.editing_col or \
self.parent.custcols[t]['colnum'] != self.orig_column_number:
bad_head = True
for t in self.standard_colheads:
if self.standard_colheads[t] == col_heading:
bad_head = True
if bad_head:
return self.simple_error(
'',
_('The heading %s is already used') % col_heading)
display_dict = {}
if col_type == 'datetime':
if unicode(self.date_format_box.text()).strip():
display_dict = {
'date_format':
unicode(self.date_format_box.text()).strip()
}
else:
display_dict = {'date_format': None}
elif col_type == 'composite':
if not unicode(self.composite_box.text()).strip():
return self.simple_error(
'', _('You must enter a template for'
' composite columns'))
display_dict = {
'composite_template':
unicode(self.composite_box.text()).strip(),
'composite_sort':
['text', 'number', 'date',
'bool'][self.composite_sort_by.currentIndex()],
'make_category':
self.composite_make_category.isChecked(),
'contains_html':
self.composite_contains_html.isChecked(),
}
elif col_type == 'enumeration':
if not unicode(self.enum_box.text()).strip():
return self.simple_error(
'',
_('You must enter at least one'
' value for enumeration columns'))
l = [
v.strip() for v in unicode(self.enum_box.text()).split(',')
if v.strip()
]
l_lower = [v.lower() for v in l]
for i, v in enumerate(l_lower):
if v in l_lower[i + 1:]:
return self.simple_error(
'',
_('The value "{0}" is in the '
'list more than once, perhaps with different case').
format(l[i]))
c = unicode(self.enum_colors.text())
if c:
c = [
v.strip()
for v in unicode(self.enum_colors.text()).split(',')
]
else:
c = []
if len(c) != 0 and len(c) != len(l):
return self.simple_error(
'',
_('The colors box must be empty or '
'contain the same number of items as the value box'))
for tc in c:
if tc not in QColor.colorNames():
return self.simple_error(
'',
_('The color {0} is unknown').format(tc))
display_dict = {'enum_values': l, 'enum_colors': c}
elif col_type == 'text' and is_multiple:
display_dict = {'is_names': self.is_names.isChecked()}
elif col_type in ['int', 'float']:
if unicode(self.number_format_box.text()).strip():
display_dict = {
'number_format':
unicode(self.number_format_box.text()).strip()
}
else:
display_dict = {'number_format': None}
if col_type in ['text', 'composite', 'enumeration'
] and not is_multiple:
display_dict['use_decorations'] = self.use_decorations.checkState()
if not self.editing_col:
self.parent.custcols[key] = {
'label': col,
'name': col_heading,
'datatype': col_type,
'display': display_dict,
'normalized': None,
'colnum': None,
'is_multiple': is_multiple,
}
item = QListWidgetItem(col_heading, self.parent.opt_columns)
item.setData(Qt.UserRole, QVariant(key))
item.setData(Qt.DecorationRole, QVariant(QIcon(I('column.png'))))
item.setFlags(Qt.ItemIsEnabled | Qt.ItemIsUserCheckable
| Qt.ItemIsSelectable)
item.setCheckState(Qt.Checked)
else:
idx = self.parent.opt_columns.currentRow()
item = self.parent.opt_columns.item(idx)
item.setText(col_heading)
self.parent.custcols[self.orig_column_name]['label'] = col
self.parent.custcols[self.orig_column_name]['name'] = col_heading
self.parent.custcols[self.orig_column_name]['display'].update(
display_dict)
self.parent.custcols[self.orig_column_name]['*edited'] = True
self.parent.custcols[self.orig_column_name]['*must_restart'] = True
QDialog.accept(self)
def display(self, statsView):
"""
Display the statistics in the listview widget 'statsView'
"""
# Subtract singlets from total number of atoms
self.num_atoms = self.natoms - self.nsinglets
item = QListWidgetItem()
item.setText("Measure Dihedral:" + str(self.num_mdihedral))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Measure Angle:" + str(self.num_mangle))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Measure Distance:" + str(self.num_mdistance))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Grid Plane:" + str(self.num_gridplane))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("ESP Image:" + str(self.num_espimage))
statsView.addItem(item)
item = QListWidgetItem()
if sys.platform == "win32":
item.setText("PC GAMESS:" + str(self.ngamess))
else:
item.setText("GAMESS:" + str(self.ngamess))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Thermometers:" + str(self.nthermos))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Thermostats:" + str(self.nstats))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Anchors:" + str(self.nanchors))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Linear Motors:" + str(self.nlmotors))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Rotary Motors:" + str(self.nrmotors))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Groups:" + str(self.ngroups))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Bondpoints:" + str(self.nsinglets))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Atoms:" + str(self.num_atoms))
statsView.addItem(item)
item = QListWidgetItem()
item.setText("Chunks:" + str(self.nchunks))
statsView.addItem(item)
def accept(self):
col = unicode(self.column_name_box.text()).strip()
if not col:
return self.simple_error('', _('No lookup name was provided'))
if col.startswith('#'):
col = col[1:]
if re.match('^\w*$', col) is None or not col[0].isalpha() or col.lower() != col:
return self.simple_error('', _('The lookup name must contain only '
'lower case letters, digits and underscores, and start with a letter'))
if col.endswith('_index'):
return self.simple_error('', _('Lookup names cannot end with _index, '
'because these names are reserved for the index of a series column.'))
col_heading = unicode(self.column_heading_box.text()).strip()
col_type = self.column_types[self.column_type_box.currentIndex()]['datatype']
if col_type[0] == '*':
col_type = col_type[1:]
is_multiple = True
else:
is_multiple = False
if not col_heading:
return self.simple_error('', _('No column heading was provided'))
db = self.parent.gui.library_view.model().db
key = db.field_metadata.custom_field_prefix+col
bad_col = False
if key in self.parent.custcols:
if not self.editing_col or \
self.parent.custcols[key]['colnum'] != self.orig_column_number:
bad_col = True
if bad_col:
return self.simple_error('', _('The lookup name %s is already used')%col)
bad_head = False
for t in self.parent.custcols:
if self.parent.custcols[t]['name'] == col_heading:
if not self.editing_col or \
self.parent.custcols[t]['colnum'] != self.orig_column_number:
bad_head = True
for t in self.standard_colheads:
if self.standard_colheads[t] == col_heading:
bad_head = True
if bad_head:
return self.simple_error('', _('The heading %s is already used')%col_heading)
display_dict = {}
if col_type == 'datetime':
if unicode(self.date_format_box.text()).strip():
display_dict = {'date_format':unicode(self.date_format_box.text()).strip()}
else:
display_dict = {'date_format': None}
elif col_type == 'composite':
if not unicode(self.composite_box.text()).strip():
return self.simple_error('', _('You must enter a template for'
' composite columns'))
display_dict = {'composite_template':unicode(self.composite_box.text()).strip(),
'composite_sort': ['text', 'number', 'date', 'bool']
[self.composite_sort_by.currentIndex()],
'make_category': self.composite_make_category.isChecked(),
'contains_html': self.composite_contains_html.isChecked(),
}
elif col_type == 'enumeration':
if not unicode(self.enum_box.text()).strip():
return self.simple_error('', _('You must enter at least one'
' value for enumeration columns'))
l = [v.strip() for v in unicode(self.enum_box.text()).split(',') if v.strip()]
l_lower = [v.lower() for v in l]
for i,v in enumerate(l_lower):
if v in l_lower[i+1:]:
return self.simple_error('', _('The value "{0}" is in the '
'list more than once, perhaps with different case').format(l[i]))
c = unicode(self.enum_colors.text())
if c:
c = [v.strip() for v in unicode(self.enum_colors.text()).split(',')]
else:
c = []
if len(c) != 0 and len(c) != len(l):
return self.simple_error('', _('The colors box must be empty or '
'contain the same number of items as the value box'))
for tc in c:
if tc not in QColor.colorNames():
return self.simple_error('',
_('The color {0} is unknown').format(tc))
display_dict = {'enum_values': l, 'enum_colors': c}
elif col_type == 'text' and is_multiple:
display_dict = {'is_names': self.is_names.isChecked()}
elif col_type in ['int', 'float']:
if unicode(self.number_format_box.text()).strip():
display_dict = {'number_format':unicode(self.number_format_box.text()).strip()}
else:
display_dict = {'number_format': None}
if col_type in ['text', 'composite', 'enumeration'] and not is_multiple:
display_dict['use_decorations'] = self.use_decorations.checkState()
if not self.editing_col:
self.parent.custcols[key] = {
'label':col,
'name':col_heading,
'datatype':col_type,
'display':display_dict,
'normalized':None,
'colnum':None,
'is_multiple':is_multiple,
}
item = QListWidgetItem(col_heading, self.parent.opt_columns)
item.setData(Qt.UserRole, QVariant(key))
item.setFlags(Qt.ItemIsEnabled|Qt.ItemIsUserCheckable|Qt.ItemIsSelectable)
item.setCheckState(Qt.Checked)
else:
idx = self.parent.opt_columns.currentRow()
item = self.parent.opt_columns.item(idx)
item.setText(col_heading)
self.parent.custcols[self.orig_column_name]['label'] = col
self.parent.custcols[self.orig_column_name]['name'] = col_heading
self.parent.custcols[self.orig_column_name]['display'].update(display_dict)
self.parent.custcols[self.orig_column_name]['*edited'] = True
self.parent.custcols[self.orig_column_name]['*must_restart'] = True
QDialog.accept(self)
def accept(self):
col = unicode(self.column_name_box.text()).strip()
if not col:
return self.simple_error("", _("No lookup name was provided"))
if col.startswith("#"):
col = col[1:]
if re.match("^\w*$", col) is None or not col[0].isalpha() or col.lower() != col:
return self.simple_error(
"",
_(
"The lookup name must contain only "
"lower case letters, digits and underscores, and start with a letter"
),
)
if col.endswith("_index"):
return self.simple_error(
"",
_(
"Lookup names cannot end with _index, "
"because these names are reserved for the index of a series column."
),
)
col_heading = unicode(self.column_heading_box.text()).strip()
col_type = self.column_types[self.column_type_box.currentIndex()]["datatype"]
if col_type[0] == "*":
col_type = col_type[1:]
is_multiple = True
else:
is_multiple = False
if not col_heading:
return self.simple_error("", _("No column heading was provided"))
db = self.parent.gui.library_view.model().db
key = db.field_metadata.custom_field_prefix + col
bad_col = False
if key in self.parent.custcols:
if not self.editing_col or self.parent.custcols[key]["colnum"] != self.orig_column_number:
bad_col = True
if bad_col:
return self.simple_error("", _("The lookup name %s is already used") % col)
bad_head = False
for t in self.parent.custcols:
if self.parent.custcols[t]["name"] == col_heading:
if not self.editing_col or self.parent.custcols[t]["colnum"] != self.orig_column_number:
bad_head = True
for t in self.standard_colheads:
if self.standard_colheads[t] == col_heading:
bad_head = True
if bad_head:
return self.simple_error("", _("The heading %s is already used") % col_heading)
display_dict = {}
if col_type == "datetime":
if unicode(self.date_format_box.text()).strip():
display_dict = {"date_format": unicode(self.date_format_box.text()).strip()}
else:
display_dict = {"date_format": None}
elif col_type == "composite":
if not unicode(self.composite_box.text()).strip():
return self.simple_error("", _("You must enter a template for" " composite columns"))
display_dict = {
"composite_template": unicode(self.composite_box.text()).strip(),
"composite_sort": ["text", "number", "date", "bool"][self.composite_sort_by.currentIndex()],
"make_category": self.composite_make_category.isChecked(),
"contains_html": self.composite_contains_html.isChecked(),
}
elif col_type == "enumeration":
if not unicode(self.enum_box.text()).strip():
return self.simple_error("", _("You must enter at least one" " value for enumeration columns"))
l = [v.strip() for v in unicode(self.enum_box.text()).split(",") if v.strip()]
l_lower = [v.lower() for v in l]
for i, v in enumerate(l_lower):
if v in l_lower[i + 1 :]:
return self.simple_error(
"",
_('The value "{0}" is in the ' "list more than once, perhaps with different case").format(l[i]),
)
c = unicode(self.enum_colors.text())
if c:
c = [v.strip() for v in unicode(self.enum_colors.text()).split(",")]
else:
c = []
if len(c) != 0 and len(c) != len(l):
return self.simple_error(
"", _("The colors box must be empty or " "contain the same number of items as the value box")
)
for tc in c:
if tc not in QColor.colorNames():
return self.simple_error("", _("The color {0} is unknown").format(tc))
display_dict = {"enum_values": l, "enum_colors": c}
elif col_type == "text" and is_multiple:
display_dict = {"is_names": self.is_names.isChecked()}
elif col_type in ["int", "float"]:
if unicode(self.number_format_box.text()).strip():
display_dict = {"number_format": unicode(self.number_format_box.text()).strip()}
else:
display_dict = {"number_format": None}
if col_type in ["text", "composite", "enumeration"] and not is_multiple:
display_dict["use_decorations"] = self.use_decorations.checkState()
if not self.editing_col:
self.parent.custcols[key] = {
"label": col,
"name": col_heading,
"datatype": col_type,
"display": display_dict,
"normalized": None,
"colnum": None,
"is_multiple": is_multiple,
}
item = QListWidgetItem(col_heading, self.parent.opt_columns)
item.setData(Qt.UserRole, QVariant(key))
item.setData(Qt.DecorationRole, QVariant(QIcon(I("column.png"))))
item.setFlags(Qt.ItemIsEnabled | Qt.ItemIsUserCheckable | Qt.ItemIsSelectable)
item.setCheckState(Qt.Checked)
else:
idx = self.parent.opt_columns.currentRow()
item = self.parent.opt_columns.item(idx)
item.setText(col_heading)
self.parent.custcols[self.orig_column_name]["label"] = col
self.parent.custcols[self.orig_column_name]["name"] = col_heading
self.parent.custcols[self.orig_column_name]["display"].update(display_dict)
self.parent.custcols[self.orig_column_name]["*edited"] = True
self.parent.custcols[self.orig_column_name]["*must_restart"] = True
QDialog.accept(self)
