def _do_on_edit(self):
r, form = a99.show_edit_form(self.row, self._get_edit_field_names(), "Edit Molecular State")
if r == QDialog.Accepted:
kwargs = form.get_kwargs()
id_ = self.row["id"]
s = "update state set {} where id = {}".format(
", ".join(["{} = '{}'".format(a, b) for a, b in kwargs.items()]), id_)
conn = self._f.get_conn()
conn.execute(s)
conn.commit()
self._populate()
self._find_id(id_)
return True
def _show_traprb_parameters_form(self, r):
# **Note** creates TRAPRBInputState() instance to get default input parameter values
r, form = a99.show_edit_form(
pyfant.TRAPRBInputState(),
attrs=_TRAPRB_ATTRS,
title="Modify selected TRAPRB input parameters",
toolTips=[
"minimum radius for calculation of wavefunctions (0.75 in most cases; 0.6 for OH A-X)",
"maximum radius for calculation of wavefunctions",
"radial interval for calculation of wavefunctions",
"maximum quantum number for calculation of results"
],
)
return r, form
def _do_on_edit(self):
continuum = self._get_continuum()
name = continuum["name"]
while True:
r, form = a99.show_edit_form({"name": name}, None, "Edit continuum name")
if not (r == QDialog.Accepted):
return
newname = form.get_kwargs()["name"]
if any([cuum_["name"] == newname for cuum_ in self._continua if cuum_ != continuum]):
a99.show_error("Name already exists")
continue
continuum["name"] = newname
self.tableWidget.item(self._get_continuum_index(), 0).setText(newname)
return True
def edit_sol(self):
obj = self.sol
if obj is None:
return
item = self.listWidgetSol.currentItem()
r, form = a99.show_edit_form(self.sol, ["vl", "v2l", "qqv", "ggv", "bbv", "ddv", "fact"],
item.text())
flag_changed = False
if r == QDialog.Accepted:
kwargs = form.get_kwargs()
for name, value in kwargs.items():
orig = obj.__getattribute__(name)
if orig != value:
obj.__setattr__(name, value)
flag_changed = True
if flag_changed:
self.flag_changed = True
item.setText(self.get_sol_string(self.listWidgetSol.currentRow(), obj))
# item.setTextColor(QColor(255, 0, 0))
self.update_sol_info()
self.update_window_title()
def edit_mol(self):
obj = self.mol
if obj is None:
return
item = self.listWidgetMol.currentItem()
r, form = a99.show_edit_form(obj,
["description", "symbols", "fe", "do", "mm", "am", "bm", "ua", "ub", "te", "cro", "s"],
item.text())
flag_changed = False
if r == QDialog.Accepted:
kwargs = form.get_kwargs()
for name, value in kwargs.items():
orig = obj.__getattribute__(name)
if orig != value:
obj.__setattr__(name, value)
flag_changed = True
if flag_changed:
self.flag_changed = True
item.setText(self.get_mol_string(obj))
# item.setStyleSheet("selected:active{background: yellow}")
# item.setTextColor(QColor(255, 0, 0))
# item.setBackgroundColor(QColor(255, 0, 0))
self.update_mol_info()
self.update_window_title()