def onAdvancedOptions(self, e):
self.input_window.update_settings()
self.prime_phil = self.prime_phil.fetch(self.input_window.prime_phil)
advanced = dlg.PRIMEAdvancedOptions(
self,
phil=self.prime_phil,
title='Advanced PRIME Options',
style=wx.DEFAULT_DIALOG_STYLE | wx.STAY_ON_TOP | wx.RESIZE_BORDER)
advanced.SetMinSize((600, -1))
advanced.Fit()
if advanced.ShowModal() == wx.ID_OK:
self.prime_phil = self.prime_phil.fetch(advanced.phil_script)
self.prime_phil = self.prime_phil.fetch(advanced.new_prime_phil)
self.input_window.regenerate_params(self.prime_phil)
advanced.Destroy()
def onAdvancedOptions(self, e):
advanced = dlg.PRIMEAdvancedOptions(self,
title='Advanced PRIME Options',
style=wx.DEFAULT_DIALOG_STYLE
| wx.RESIZE_BORDER)
advanced.Fit()
# Populate the PHIL textbox
advanced.phil.ctr.SetValue(self.phil_string)
# Set values to default parameters
advanced.res.high.SetValue('{:4.2f}'.format(
self.pparams.postref.allparams.d_max))
advanced.res.low.SetValue('{:4.2f}'.format(
self.pparams.postref.allparams.d_min))
advanced.sg.spacegroup.SetValue(str(self.pparams.target_space_group))
if str(self.pparams.target_unit_cell).lower() != 'none':
uc = ' '.join(
list(map(str, self.pparams.target_unit_cell.parameters())))
advanced.uc.unit_cell.SetValue(uc)
else:
advanced.uc.unit_cell.SetValue(str(self.pparams.target_unit_cell))
advanced.anom.SetValue(self.pparams.target_anomalous_flag)
advanced.cc.cc_cutoff.SetValue(str(self.pparams.frame_accept_min_cc))
advanced.pix.pixel_size.SetValue(str(self.pparams.pixel_size_mm))
advanced.cycles.ctr.SetValue(int(self.pparams.n_postref_cycle))
if advanced.ShowModal() == wx.ID_OK:
# Read PHIL string from window, convert to params
self.phil_string = advanced.phil.ctr.GetValue()
new_phil = ip.parse(self.phil_string)
self.pparams = master_phil.fetch(sources=[new_phil]).extract()
# Param controls will override the PHIL string (clunky, but for now)
if advanced.res_override.GetValue():
self.pparams.scale.d_max = float(advanced.res.high.GetValue())
self.pparams.scale.d_min = float(advanced.res.low.GetValue())
self.pparams.merge.d_max = float(advanced.res.high.GetValue())
self.pparams.merge.d_min = float(advanced.res.low.GetValue())
self.pparams.postref.scale.d_max = float(
advanced.res.high.GetValue())
self.pparams.postref.scale.d_min = float(
advanced.res.low.GetValue())
self.pparams.postref.crystal_orientation.d_max = float(
advanced.res.high.GetValue())
self.pparams.postref.crystal_orientation.d_min = float(
advanced.res.low.GetValue())
self.pparams.postref.reflecting_range.d_max = float(
advanced.res.high.GetValue())
self.pparams.postref.reflecting_range.d_min = float(
advanced.res.low.GetValue())
self.pparams.postref.unit_cell.d_max = float(
advanced.res.high.GetValue())
self.pparams.postref.unit_cell.d_min = float(
advanced.res.low.GetValue())
self.pparams.postref.allparams.d_max = float(
advanced.res.high.GetValue())
self.pparams.postref.allparams.d_min = float(
advanced.res.low.GetValue())
self.pparams.target_space_group = advanced.sg.spacegroup.GetValue()
if advanced.uc.unit_cell.GetValue().lower() != 'none':
uc = str_split(advanced.uc.unit_cell.GetValue())
self.pparams.target_unit_cell = unit_cell(list(map(float, uc)))
else:
self.pparams.target_unit_cell = None
self.pparams.target_anomalous_flag = advanced.anom.GetValue()
if advanced.cc.cc_cutoff.GetValue().lower() != 'none':
self.pparams.frame_accept_min_cc = float(
advanced.cc.cc_cutoff.GetValue())
else:
self.pparams.frame_accept_min_cc = None
if advanced.pix.pixel_size.GetValue().lower() != 'none':
self.pparams.pixel_size_mm = float(
advanced.pix.pixel_size.GetValue())
else:
self.pparams.pixel_size_mm = None
self.pparams.n_postref_cycle = int(advanced.cycles.ctr.GetValue())
self.regenerate_params(self.pparams)
advanced.Destroy()
e.Skip()