def __init__(self, parent, phil=None, *args, **kwargs):
BaseDialog.__init__(self, parent, *args, **kwargs)
self.pparams = phil.extract()
self.pref_phil = None
main_sizer = wx.BoxSizer(wx.VERTICAL)
main_box = wx.StaticBox(self, label='PRIME Preferences')
vbox = wx.StaticBoxSizer(main_box, wx.VERTICAL)
self.SetSizer(main_sizer)
q_choices = ['psanaq', 'psnehq', 'psfehq'] + ['custom']
self.queues = ct.ChoiceCtrl(self,
label='Queue:',
label_size=(120, -1),
label_style='bold',
ctrl_size=wx.DefaultSize,
choices=q_choices)
vbox.Add(self.queues, flag=wx.ALL, border=10)
self.custom_queue = ct.OptionCtrl(self,
items=[('cqueue', '')],
label='Custom Queue:',
label_size=(120, -1),
label_style='normal',
ctrl_size=(150, -1))
self.custom_queue.Disable()
vbox.Add(self.custom_queue, flag=wx.ALL, border=10)
self.nodes = ct.SpinCtrl(self,
label='No. of nodes',
label_size=(120, -1),
ctrl_value=12,
ctrl_size=(80, -1),
ctrl_min=1,
ctrl_max=5000)
self.nodes.Disable()
vbox.Add(self.nodes, flag=wx.ALL, border=10)
mp_choices = ['multiprocessing', 'bsub']
self.mp_methods = ct.ChoiceCtrl(self,
label='Method:',
label_size=(120, -1),
label_style='bold',
ctrl_size=wx.DefaultSize,
choices=mp_choices)
vbox.Add(self.mp_methods, flag=wx.ALL, border=10)
main_sizer.Add(vbox, flag=wx.EXPAND | wx.ALL, border=10)
# Dialog control
dialog_box = self.CreateSeparatedButtonSizer(wx.OK | wx.CANCEL)
main_sizer.Add(dialog_box,
flag=wx.EXPAND | wx.ALIGN_RIGHT | wx.ALL,
border=10)
self.Bind(wx.EVT_CHOICE, self.onQueue, self.queues.ctr)
self.Bind(wx.EVT_CHOICE, self.onMethod, self.mp_methods.ctr)
self.Bind(wx.EVT_BUTTON, self.onOK, id=wx.ID_OK)
self.set_choices()
def __init__(self, parent, phil=None, *args, **kwargs):
PRIMEBaseBackendDialog.__init__(self, parent,
backend_name='PRIME',
phil=phil,
phil_size=(500, 500),
opt_size=(500, 500),
*args, **kwargs)
self.prime_phil = phil
self.new_prime_phil = None
self.pparams = self.prime_phil.extract()
self.splitter.SplitVertically(self.options, self.phil_panel)
# Target file input
self.phil = ct.PHILBox(self.phil_panel,
btn_import=True,
btn_import_label='Import PHIL',
btn_export=False,
btn_default=False,
btn_pos='bottom',
ctr_size=(-1, 300),
ctr_value='')
self.phil_sizer.Add(self.phil, 1, flag=wx.EXPAND | wx.ALL, border=5)
# PRIME Options (there is some redundancy with the PHIL textbox)
self.prm_options = wx.Panel(self.options)
opt_box = wx.StaticBox(self.prm_options, label='Advanced Options')
opt_box_sizer = wx.StaticBoxSizer(opt_box, wx.VERTICAL)
self.prm_options.SetSizer(opt_box_sizer)
# Resolution
self.scale_res = ct.OptionCtrl(self.prm_options,
label='Scale Resolution: ',
label_size=(120, -1),
label_style='normal',
ctrl_size=wx.DefaultSize,
items=[('low', 50),
('high', 1.5)])
opt_box_sizer.Add(self.scale_res, flag=f.stack, border=10)
self.merge_res = ct.OptionCtrl(self.prm_options,
label='Merge Resolution: ',
label_size=(120, -1),
label_style='normal',
ctrl_size=wx.DefaultSize,
items=[('low', 50),
('high', 1.5)])
opt_box_sizer.Add(self.merge_res, flag=f.stack, border=10)
self.p_scale_res = ct.OptionCtrl(self.prm_options,
label='Postref Scale Res.: ',
label_size=(120, -1),
label_style='normal',
ctrl_size=wx.DefaultSize,
items=[('low', 50),
('high', 1.5)])
opt_box_sizer.Add(self.p_scale_res, flag=f.stack, border=10)
self.p_cryst_res = ct.OptionCtrl(self.prm_options,
checkbox=True,
checkbox_label='Crystal Orientation: ',
label_size=(120, -1),
label_style='normal',
ctrl_size=wx.DefaultSize,
items=[('low', 50),
('high', 1.5)])
opt_box_sizer.Add(self.p_cryst_res, flag=f.stack, border=10)
self.p_rrange_res = ct.OptionCtrl(self.prm_options,
checkbox=True,
checkbox_label='Reflecting Range: ',
label_size=(120, -1),
label_style='normal',
ctrl_size=wx.DefaultSize,
items=[('low', 50),
('high', 1.5)])
opt_box_sizer.Add(self.p_rrange_res, flag=f.stack, border=10)
self.p_uc_res = ct.OptionCtrl(self.prm_options,
checkbox=True,
checkbox_label='Unit Cell: ',
label_size=(120, -1),
label_style='normal',
ctrl_size=wx.DefaultSize,
items=[('low', 50),
('high', 1.5)])
opt_box_sizer.Add(self.p_uc_res, flag=f.stack, border=10)
self.p_all_res = ct.OptionCtrl(self.prm_options,
checkbox=True,
checkbox_label='All Parameters: ',
label_size=(120, -1),
label_style='normal',
ctrl_size=wx.DefaultSize,
items=[('low', 50),
('high', 1.5)])
opt_box_sizer.Add(self.p_all_res, flag=f.stack, border=10)
self.btn_synch_res = wx.Button(self.prm_options,
label="Set Res. Limits to Postref. Scale")
opt_box_sizer.Add(self.btn_synch_res, flag=f.stack, border=10)
# Target space group
self.sg = ct.OptionCtrl(self.prm_options,
label='Space Group: ',
label_size=(120, -1),
label_style='normal',
ctrl_size=(100, -1),
items=[('spacegroup','P212121')])
opt_box_sizer.Add(self.sg, flag=f.stack, border=10)
# Target unit cell
self.uc = ct.OptionCtrl(self.prm_options,
label='Unit Cell: ',
label_size=(120, -1),
label_style='normal',
ctrl_size=(300, -1),
items=[('unit_cell', '72 120 134 90 90 90')])
self.anom = wx.CheckBox(self.prm_options, label='Anomalous')
self.anom.SetValue(False)
opt_box_sizer.Add(self.uc, flag=f.stack, border=10)
opt_box_sizer.Add(self.anom, flag=f.stack, border=10)
# CC cutoff
self.cc = ct.OptionCtrl(self.prm_options,
label='CC cutoff: ',
label_size=(120, -1),
label_style='normal',
ctrl_size=(100, -1),
items=[('cc_cutoff', 0.25)])
opt_box_sizer.Add(self.cc, flag=f.stack, border=10)
# Pixel size
self.pix = ct.OptionCtrl(self.prm_options,
label='Pixel size: ',
label_size=(120, -1),
label_style='normal',
ctrl_size=(100, -1),
items=[('pixel_size', 0.172)])
opt_box_sizer.Add(self.pix, flag=wx.RIGHT | wx.LEFT | wx.TOP, border=10)
self.cycles = ct.SpinCtrl(self.prm_options,
label='No. of Cycles:',
label_size=(120, -1),
label_style='normal',
ctrl_size=(60, -1))
opt_box_sizer.Add(self.cycles, flag=wx.ALL, border=10)
# self.options_sizer.Add(self.phil_sizer, 1, flag=wx.EXPAND | wx.ALL, border=10)
self.options_sizer.Add(self.prm_options, 1, flag=wx.EXPAND | wx.ALL, border=10)
# Button bindings
self.Bind(wx.EVT_BUTTON, self.onImportPHIL, self.phil.btn_import)
self.Bind(wx.EVT_BUTTON, self.onOK, id=wx.ID_OK)
self.Bind(wx.EVT_BUTTON, self.onHideScript, self.btn_hide_script)
self.Bind(wx.EVT_BUTTON, self.onResSynchronize, self.btn_synch_res)
self.Bind(wx.EVT_CHOICE, self.onAdvanced, self.dlg_ctr.choice)
self.show_hide_script()
self.show_hide_advanced(show=False)
self.Layout()
self.options.SetupScrolling()
self.read_param_phil()
def __init__(self, parent, phil=None, *args, **kwargs):
IOTABaseDialog.__init__(self, parent, *args, **kwargs)
self.pparams = phil.extract()
self.pref_phil = None
main_sizer = wx.BoxSizer(wx.VERTICAL)
main_box = wx.StaticBox(self, label="PRIME Preferences")
vbox = wx.StaticBoxSizer(main_box, wx.VERTICAL)
self.SetSizer(main_sizer)
q_choices = ["psanaq", "psnehq", "psfehq"] + ["custom"]
self.queues = ct.ChoiceCtrl(
self,
label="Queue:",
label_size=(120, -1),
label_style="bold",
ctrl_size=wx.DefaultSize,
choices=q_choices,
)
vbox.Add(self.queues, flag=wx.ALL, border=10)
self.custom_queue = ct.OptionCtrl(
self,
items=[("cqueue", "")],
label="Custom Queue:",
label_size=(120, -1),
label_style="normal",
ctrl_size=(150, -1),
)
self.custom_queue.Disable()
vbox.Add(self.custom_queue, flag=wx.ALL, border=10)
self.nodes = ct.SpinCtrl(
self,
label="No. of nodes",
label_size=(120, -1),
ctrl_value=12,
ctrl_size=(80, -1),
ctrl_min=1,
ctrl_max=5000,
)
self.nodes.Disable()
vbox.Add(self.nodes, flag=wx.ALL, border=10)
mp_choices = ["multiprocessing", "bsub"]
self.mp_methods = ct.ChoiceCtrl(
self,
label="Method:",
label_size=(120, -1),
label_style="bold",
ctrl_size=wx.DefaultSize,
choices=mp_choices,
)
vbox.Add(self.mp_methods, flag=wx.ALL, border=10)
main_sizer.Add(vbox, flag=wx.EXPAND | wx.ALL, border=10)
# Dialog control
dialog_box = self.CreateSeparatedButtonSizer(wx.OK | wx.CANCEL)
main_sizer.Add(dialog_box, flag=wx.EXPAND | wx.ALIGN_RIGHT | wx.ALL, border=10)
self.Bind(wx.EVT_CHOICE, self.onQueue, self.queues.ctr)
self.Bind(wx.EVT_CHOICE, self.onMethod, self.mp_methods.ctr)
self.Bind(wx.EVT_BUTTON, self.onOK, id=wx.ID_OK)
self.set_choices()