def __init__(O, parent, work_params):
super(main_panel, O).__init__(parent=parent, id=-1)
O.work_params = work_params
O.variable_name_by_wx_id = {}
O.variable_values_by_name = {}
v_sizer = wx.BoxSizer(orient=wx.VERTICAL)
def add_detector_pixels():
h_sizer = wx.BoxSizer(orient=wx.HORIZONTAL)
label = wx.StaticText(parent=O, id=-1, label="Detector pixels:")
h_sizer.Add(item=label)
dp = wx.StaticText(parent=O, id=-1, label="None")
f = dp.GetFont()
f.SetWeight(wx.BOLD)
dp.SetFont(f)
h_sizer.Add(item=dp, flag=wx.LEFT, border=5)
v_sizer.AddSpacer(3)
v_sizer.Add(item=h_sizer)
return dp
O.wx_detector_pixels = add_detector_pixels()
def add_active_wavelengths():
h_sizer = wx.BoxSizer(orient=wx.HORIZONTAL)
label = wx.StaticText(parent=O, id=-1, label="Active wavelengths:")
h_sizer.Add(item=label)
dp = wx.StaticText(parent=O, id=-1, label="None")
f = dp.GetFont()
f.SetWeight(wx.BOLD)
dp.SetFont(f)
h_sizer.Add(item=dp, flag=wx.LEFT, border=5)
v_sizer.AddSpacer(3)
v_sizer.Add(item=h_sizer)
return dp
O.wx_active_wavelengths = add_active_wavelengths()
def add_slider(variable_name, val_min_max):
h_sizer = wx.BoxSizer(orient=wx.HORIZONTAL)
ctrl_id = wx.NewId()
slider = wx.Slider(
parent=O,
id=ctrl_id,
value=val_min_max[0],
minValue=val_min_max[1],
maxValue=val_min_max[2],
size=(150, -1),
style=wx.SL_HORIZONTAL|wx.SL_AUTOTICKS|wx.SL_LABELS)
O.variable_name_by_wx_id[ctrl_id] = variable_name
O.variable_values_by_name[variable_name] = val_min_max[0]
slider.Bind(event=wx.EVT_SCROLL, handler=O.OnSliderScroll)
h_sizer.Add(item=slider)
label = wx.StaticText(parent=O, id=-1, label=variable_name)
h_sizer.Add(item=label)
v_sizer.Add(item=h_sizer)
v_sizer.AddSpacer(3)
from libtbx.math_utils import normalize_angle
xyz = O.work_params.euler_angles_xyz
for variable_name,value in zip(["rot x", "rot y", "rot z"], xyz):
add_slider(variable_name, (
normalize_angle(value, deg=True, zero_centered=True),
-180,
180))
v_sizer.AddSpacer(3)
def add_fs(min_val, max_val, increment, digits, label, value):
import wx.lib.agw.floatspin as FS
ctrl_id = wx.NewId()
fs = FS.FloatSpin(
parent=O,
id=ctrl_id,
min_val=min_val,
max_val=max_val,
increment=increment,
value=value,
agwStyle=FS.FS_LEFT)
O.variable_name_by_wx_id[ctrl_id] = label
fs.SetFormat("%f")
fs.SetDigits(digits)
fs.Bind(event=FS.EVT_FLOATSPIN, handler=O.OnFloatSpin),
h_sizer = wx.BoxSizer(orient=wx.HORIZONTAL)
h_sizer.Add(item=fs)
label = wx.StaticText(parent=O, id=-1, label=label)
h_sizer.Add(item=label, flag=wx.LEFT, border=5)
v_sizer.Add(item=h_sizer)
v_sizer.AddSpacer(3)
add_fs(
min_val=0.1,
max_val=10,
increment=0.1,
digits=6,
label="Wavelength 1",
value=O.work_params.wavelength)
add_fs(
min_val=0.1,
max_val=10,
increment=0.1,
digits=6,
label="Wavelength 2",
value=O.work_params.wavelength_2)
if (O.work_params.d_min is None):
O.work_params.d_min = O.work_params.wavelength
add_fs(
min_val=0.1,
max_val=10,
increment=0.1,
digits=6,
label="d-min",
value=O.work_params.d_min)
add_fs(
min_val=-1,
max_val=1,
increment=0.01,
digits=6,
label="Ewald proximity",
value=O.work_params.ewald_proximity)
add_fs(
min_val=1,
max_val=500,
increment=50,
digits=2,
label="Detector distance",
value=O.work_params.detector.distance)
def add_sp(label, value):
sp = wx.SpinCtrl(parent=O, id=-1, min=1, max=100, initial=value)
sp.Bind(event=wx.EVT_SPINCTRL, handler=O.OnSpin),
h_sizer = wx.BoxSizer(orient=wx.HORIZONTAL)
h_sizer.Add(item=sp)
label = wx.StaticText(parent=O, id=-1, label=label)
h_sizer.Add(item=label, flag=wx.LEFT, border=5)
v_sizer.Add(item=h_sizer)
v_sizer.AddSpacer(3)
add_sp(
label="Point spread",
value=O.work_params.point_spread)
add_fs(
min_val=0,
max_val=100,
increment=1,
digits=1,
label="Gaussian falloff scale",
value=O.work_params.gaussian_falloff_scale)
ucp = O.work_params.unit_cell.parameters()
for variable_name,value in zip(["a", "b", "c"], ucp[:3]):
add_slider(variable_name, (
value,
min(10, round(value-0.5, 0)),
max(100, round(value+5, -1))))
for variable_name,value in zip(["alpha", "beta", "gamma"], ucp[3:]):
add_slider(variable_name, (
value,
min(60, round(value-5, -1)),
max(105, round(value+5, -1))))
O.detector_surface = detector_surface(parent=O, work_params=O.work_params)
topsizer = wx.BoxSizer(orient=wx.HORIZONTAL)
topsizer.Add(item=O.detector_surface, proportion=1, flag=wx.EXPAND)
topsizer.Add(item=v_sizer, flag=wx.ALL, border=10)
O.SetSizer(topsizer)
topsizer.Layout()
def dihe(sites):
return normalize_angle(scitbx.math.dihedral_angle(sites=sites,
deg=True),
deg=True)
def __init__(O, parent, work_params):
super(main_panel, O).__init__(parent=parent, id=-1)
O.work_params = work_params
O.variable_name_by_wx_id = {}
O.variable_values_by_name = {}
v_sizer = wx.BoxSizer(orient=wx.VERTICAL)
def add_detector_pixels():
h_sizer = wx.BoxSizer(orient=wx.HORIZONTAL)
label = wx.StaticText(parent=O, id=-1, label="Detector pixels:")
h_sizer.Add(item=label)
dp = wx.StaticText(parent=O, id=-1, label="None")
f = dp.GetFont()
f.SetWeight(wx.BOLD)
dp.SetFont(f)
h_sizer.Add(item=dp, flag=wx.LEFT, border=5)
v_sizer.AddSpacer(3)
v_sizer.Add(item=h_sizer)
return dp
O.wx_detector_pixels = add_detector_pixels()
def add_active_wavelengths():
h_sizer = wx.BoxSizer(orient=wx.HORIZONTAL)
label = wx.StaticText(parent=O, id=-1, label="Active wavelengths:")
h_sizer.Add(item=label)
dp = wx.StaticText(parent=O, id=-1, label="None")
f = dp.GetFont()
f.SetWeight(wx.BOLD)
dp.SetFont(f)
h_sizer.Add(item=dp, flag=wx.LEFT, border=5)
v_sizer.AddSpacer(3)
v_sizer.Add(item=h_sizer)
return dp
O.wx_active_wavelengths = add_active_wavelengths()
def add_slider(variable_name, val_min_max):
h_sizer = wx.BoxSizer(orient=wx.HORIZONTAL)
ctrl_id = wx.NewId()
slider = wx.Slider(parent=O,
id=ctrl_id,
value=val_min_max[0],
minValue=val_min_max[1],
maxValue=val_min_max[2],
size=(150, -1),
style=wx.SL_HORIZONTAL | wx.SL_AUTOTICKS
| wx.SL_LABELS)
O.variable_name_by_wx_id[ctrl_id] = variable_name
O.variable_values_by_name[variable_name] = val_min_max[0]
slider.Bind(event=wx.EVT_SCROLL, handler=O.OnSliderScroll)
h_sizer.Add(item=slider)
label = wx.StaticText(parent=O, id=-1, label=variable_name)
h_sizer.Add(item=label)
v_sizer.Add(item=h_sizer)
v_sizer.AddSpacer(3)
from libtbx.math_utils import normalize_angle
xyz = O.work_params.euler_angles_xyz
for variable_name, value in zip(["rot x", "rot y", "rot z"], xyz):
add_slider(variable_name, (normalize_angle(
value, deg=True, zero_centered=True), -180, 180))
v_sizer.AddSpacer(3)
def add_fs(min_val, max_val, increment, digits, label, value):
import wx.lib.agw.floatspin as FS
ctrl_id = wx.NewId()
fs = FS.FloatSpin(parent=O,
id=ctrl_id,
min_val=min_val,
max_val=max_val,
increment=increment,
value=value,
agwStyle=FS.FS_LEFT)
O.variable_name_by_wx_id[ctrl_id] = label
fs.SetFormat("%f")
fs.SetDigits(digits)
fs.Bind(event=FS.EVT_FLOATSPIN, handler=O.OnFloatSpin),
h_sizer = wx.BoxSizer(orient=wx.HORIZONTAL)
h_sizer.Add(item=fs)
label = wx.StaticText(parent=O, id=-1, label=label)
h_sizer.Add(item=label, flag=wx.LEFT, border=5)
v_sizer.Add(item=h_sizer)
v_sizer.AddSpacer(3)
add_fs(min_val=0.1,
max_val=10,
increment=0.1,
digits=6,
label="Wavelength 1",
value=O.work_params.wavelength)
add_fs(min_val=0.1,
max_val=10,
increment=0.1,
digits=6,
label="Wavelength 2",
value=O.work_params.wavelength_2)
if (O.work_params.d_min is None):
O.work_params.d_min = O.work_params.wavelength
add_fs(min_val=0.1,
max_val=10,
increment=0.1,
digits=6,
label="d-min",
value=O.work_params.d_min)
add_fs(min_val=-1,
max_val=1,
increment=0.01,
digits=6,
label="Ewald proximity",
value=O.work_params.ewald_proximity)
add_fs(min_val=1,
max_val=500,
increment=50,
digits=2,
label="Detector distance",
value=O.work_params.detector.distance)
def add_sp(label, value):
sp = wx.SpinCtrl(parent=O, id=-1, min=1, max=100, initial=value)
sp.Bind(event=wx.EVT_SPINCTRL, handler=O.OnSpin),
h_sizer = wx.BoxSizer(orient=wx.HORIZONTAL)
h_sizer.Add(item=sp)
label = wx.StaticText(parent=O, id=-1, label=label)
h_sizer.Add(item=label, flag=wx.LEFT, border=5)
v_sizer.Add(item=h_sizer)
v_sizer.AddSpacer(3)
add_sp(label="Point spread", value=O.work_params.point_spread)
add_fs(min_val=0,
max_val=100,
increment=1,
digits=1,
label="Gaussian falloff scale",
value=O.work_params.gaussian_falloff_scale)
ucp = O.work_params.unit_cell.parameters()
for variable_name, value in zip(["a", "b", "c"], ucp[:3]):
add_slider(variable_name, (value, min(10, round(
value - 0.5, 0)), max(100, round(value + 5, -1))))
for variable_name, value in zip(["alpha", "beta", "gamma"], ucp[3:]):
add_slider(variable_name, (value, min(60, round(
value - 5, -1)), max(105, round(value + 5, -1))))
O.detector_surface = detector_surface(parent=O,
work_params=O.work_params)
topsizer = wx.BoxSizer(orient=wx.HORIZONTAL)
topsizer.Add(item=O.detector_surface, proportion=1, flag=wx.EXPAND)
topsizer.Add(item=v_sizer, flag=wx.ALL, border=10)
O.SetSizer(topsizer)
topsizer.Layout()
def dihe(sites):
return normalize_angle(
scitbx.math.dihedral_angle(sites=sites, deg=True),
deg=True)