def __init__(self, parent, id):
from sas.sascalc.pr.invertor import help
wx.Dialog.__init__(self, parent, id, size=(250, 120))
self.SetTitle("P(r) distribution")
vbox = wx.BoxSizer(wx.VERTICAL)
label_npts = wx.StaticText(self, -1, "Number of points")
self.npts_ctl = PrTextCtrl(self, -1, size=(100, 20))
pars_sizer = wx.GridBagSizer(5, 5)
iy = 0
pars_sizer.Add(label_npts, (iy, 0), (1, 1), wx.LEFT, 15)
pars_sizer.Add(self.npts_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
vbox.Add(pars_sizer, 0, wx.ALL | wx.EXPAND, 15)
static_line = wx.StaticLine(self, -1)
vbox.Add(static_line, 0, wx.EXPAND, 0)
button_ok = wx.Button(self, wx.ID_OK, "OK")
self.Bind(wx.EVT_BUTTON, self._checkValues, button_ok)
button_cancel = wx.Button(self, wx.ID_CANCEL, "Cancel")
sizer_button = wx.BoxSizer(wx.HORIZONTAL)
sizer_button.Add((20, 20), 1, wx.EXPAND | wx.ADJUST_MINSIZE, 0)
sizer_button.Add(button_ok, 0, wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE,
10)
sizer_button.Add(button_cancel, 0,
wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 10)
vbox.Add(sizer_button, 0, wx.EXPAND | wx.BOTTOM | wx.TOP, 10)
self.SetSizer(vbox)
self.SetAutoLayout(True)
self.Layout()
self.Centre()
def __init__(self, pr_state, nfunc, *args, **kwds):
"""
Initialization. The parameters added to Dialog are:
:param pr_state: sas.pr.invertor.Invertor object
:param nfunc: Number of terms in the expansion
"""
kwds["style"] = wx.RESIZE_BORDER | wx.DEFAULT_DIALOG_STYLE
wx.Dialog.__init__(self, *args, **kwds)
# Initialize Results object
self.results = Results()
self.pr_state = pr_state
self._default_min = 0.9 * self.pr_state.d_max
self._default_max = 1.1 * self.pr_state.d_max
self.nfunc = nfunc
# Control for number of points
self.npts_ctl = PrTextCtrl(self,
-1,
style=wx.TE_PROCESS_ENTER,
size=(60, 20))
# Control for the minimum value of D_max
self.dmin_ctl = PrTextCtrl(self,
-1,
style=wx.TE_PROCESS_ENTER,
size=(60, 20))
# Control for the maximum value of D_max
self.dmax_ctl = PrTextCtrl(self,
-1,
style=wx.TE_PROCESS_ENTER,
size=(60, 20))
# Output selection box for the y axis
self.output_box = None
# Create the plot object
self.plotpanel = OutputPlot(self._default_min,
self._default_max,
self,
-1,
style=wx.RAISED_BORDER)
# Create the layout of the dialog
self.__do_layout()
self.Fit()
# Calculate exploration results
self._recalc()
# Graph the default output curve
self._plot_output()
class ExploreDialog(wx.Dialog):
"""
The explorer dialog box. This dialog is meant to be
invoked by the InversionControl class.
"""
def __init__(self, pr_state, nfunc, *args, **kwds):
"""
Initialization. The parameters added to Dialog are:
:param pr_state: sas.pr.invertor.Invertor object
:param nfunc: Number of terms in the expansion
"""
kwds["style"] = wx.RESIZE_BORDER | wx.DEFAULT_DIALOG_STYLE
wx.Dialog.__init__(self, *args, **kwds)
# Initialize Results object
self.results = Results()
self.pr_state = pr_state
self._default_min = 0.9 * self.pr_state.d_max
self._default_max = 1.1 * self.pr_state.d_max
self.nfunc = nfunc
# Control for number of points
self.npts_ctl = PrTextCtrl(self,
-1,
style=wx.TE_PROCESS_ENTER,
size=(60, 20))
# Control for the minimum value of D_max
self.dmin_ctl = PrTextCtrl(self,
-1,
style=wx.TE_PROCESS_ENTER,
size=(60, 20))
# Control for the maximum value of D_max
self.dmax_ctl = PrTextCtrl(self,
-1,
style=wx.TE_PROCESS_ENTER,
size=(60, 20))
# Output selection box for the y axis
self.output_box = None
# Create the plot object
self.plotpanel = OutputPlot(self._default_min,
self._default_max,
self,
-1,
style=wx.RAISED_BORDER)
# Create the layout of the dialog
self.__do_layout()
self.Fit()
# Calculate exploration results
self._recalc()
# Graph the default output curve
self._plot_output()
class Event(object):
"""
Class that holds the content of the form
"""
## Number of points to be plotted
npts = 0
## Minimum value of D_max
dmin = 0
## Maximum value of D_max
dmax = 0
def _get_values(self, event=None):
"""
Invoked when the user changes a value of the form.
Check that the values are of the right type.
:return: ExploreDialog.Event object if the content is good,
None otherwise
"""
# Flag to make sure that all values are good
flag = True
# Empty ExploreDialog.Event content
content_event = self.Event()
# Read each text control and make sure the type is valid
# Let the user know if a type is invalid by changing the
# background color of the control.
try:
content_event.npts = int(self.npts_ctl.GetValue())
self.npts_ctl.SetBackgroundColour(wx.WHITE)
self.npts_ctl.Refresh()
except:
flag = False
self.npts_ctl.SetBackgroundColour("pink")
self.npts_ctl.Refresh()
try:
content_event.dmin = float(self.dmin_ctl.GetValue())
self.dmin_ctl.SetBackgroundColour(wx.WHITE)
self.dmin_ctl.Refresh()
except:
flag = False
self.dmin_ctl.SetBackgroundColour("pink")
self.dmin_ctl.Refresh()
try:
content_event.dmax = float(self.dmax_ctl.GetValue())
self.dmax_ctl.SetBackgroundColour(wx.WHITE)
self.dmax_ctl.Refresh()
except:
flag = False
self.dmax_ctl.SetBackgroundColour("pink")
self.dmax_ctl.Refresh()
# If the content of the form is valid, return the content,
# otherwise return None
if flag:
if event is not None:
event.Skip(True)
return content_event
else:
return None
def _plot_output(self, event=None):
"""
Invoked when a new output type is selected for plotting,
or when a new computation is finished.
"""
# Get the output type selection
output_type = self.output_box.GetString(self.output_box.GetSelection())
# If the selected output type is part of the results ojbect,
# display the results.
# Note: by design, the output type should always be part of the
# results object.
if self.results.outputs.has_key(output_type):
self.plotpanel.plot.x = self.results.d_max
self.plotpanel.plot.y = self.results.outputs[output_type][2]
self.plotpanel.plot.name = '_nolegend_'
y_label = "\\rm{%s}" % self.results.outputs[output_type][0]
self.plotpanel.graph.yaxis(y_label,
self.results.outputs[output_type][1])
# Redraw
self.plotpanel.graph.render(self.plotpanel)
self.plotpanel.subplot.figure.canvas.draw_idle()
else:
msg = "ExploreDialog: the Results object's dictionary "
msg += "does not contain "
msg += "the [%s] output type. This must be indicative of "
msg += "a change in the " % str(output_type)
msg += "ExploreDialog code."
logging.error(msg)
def __do_layout(self):
"""
Do the layout of the dialog
"""
# Dialog box properties
self.SetTitle("D_max Explorer")
self.SetSize((600, 595))
sizer_main = wx.BoxSizer(wx.VERTICAL)
sizer_button = wx.BoxSizer(wx.HORIZONTAL)
sizer_params = wx.GridBagSizer(5, 5)
iy = 0
ix = 0
label_npts = wx.StaticText(self, -1, "Npts")
sizer_params.Add(label_npts, (iy, ix), (1, 1),
wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
ix += 1
sizer_params.Add(self.npts_ctl, (iy, ix), (1, 1),
wx.EXPAND | wx.ADJUST_MINSIZE, 0)
self.npts_ctl.SetValue("%g" % DEFAULT_NPTS)
ix += 1
label_dmin = wx.StaticText(self, -1, "Min Distance [A]")
sizer_params.Add(label_dmin, (iy, ix), (1, 1),
wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
ix += 1
sizer_params.Add(self.dmin_ctl, (iy, ix), (1, 1),
wx.EXPAND | wx.ADJUST_MINSIZE, 0)
self.dmin_ctl.SetValue(str(self._default_min))
ix += 1
label_dmax = wx.StaticText(self, -1, "Max Distance [A]")
sizer_params.Add(label_dmax, (iy, ix), (1, 1),
wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
ix += 1
sizer_params.Add(self.dmax_ctl, (iy, ix), (1, 1),
wx.EXPAND | wx.ADJUST_MINSIZE, 0)
self.dmax_ctl.SetValue(str(self._default_max))
# Ouput selection box
selection_msg = wx.StaticText(self, -1, "Select a dependent variable:")
self.output_box = wx.ComboBox(self, -1, style=wx.CB_READONLY)
for item in self.results.outputs.keys():
self.output_box.Append(item, "")
self.output_box.SetStringSelection(DEFAULT_OUTPUT)
output_sizer = wx.GridBagSizer(5, 5)
output_sizer.Add(selection_msg, (0, 0), (1, 1),
wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 10)
output_sizer.Add(self.output_box, (0, 1), (1, 2),
wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 10)
wx.EVT_COMBOBOX(self.output_box, -1, self._plot_output)
sizer_main.Add(output_sizer, 0, wx.EXPAND | wx.ALL, 10)
sizer_main.Add(self.plotpanel, 0, wx.EXPAND | wx.ALL, 10)
sizer_main.SetItemMinSize(self.plotpanel, 400, 400)
sizer_main.Add(sizer_params, 0, wx.EXPAND | wx.ALL, 10)
static_line_3 = wx.StaticLine(self, -1)
sizer_main.Add(static_line_3, 0, wx.EXPAND, 0)
# Bottom area with the close button
sizer_button.Add((20, 20), 1, wx.EXPAND | wx.ADJUST_MINSIZE, 0)
button_OK = wx.Button(self, wx.ID_OK, "Close")
sizer_button.Add(button_OK, 0, wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE,
10)
sizer_main.Add(sizer_button, 0, wx.EXPAND | wx.BOTTOM | wx.TOP, 10)
self.SetAutoLayout(True)
self.SetSizer(sizer_main)
self.Layout()
self.Centre()
# Bind the Enter key to recalculation
self.Bind(wx.EVT_TEXT_ENTER, self._recalc)
def set_plot_unfocus(self):
"""
Not implemented
"""
pass
def send_focus_to_datapanel(self, name):
"""
The GUI manager sometimes calls this method
TODO: refactor this
"""
pass
def _recalc(self, event=None):
"""
Invoked when the user changed a value on the form.
Process the form and compute the output to be plottted.
"""
# Get the content of the form
content = self._get_values()
# If the content of the form is invalid, return and do nothing
if content is None:
return
# Results object to store the computation outputs.
results = Results()
# Loop over d_max values
for i in range(content.npts):
temp = (content.dmax - content.dmin) / (content.npts - 1.0)
d = content.dmin + i * temp
self.pr_state.d_max = d
try:
out, cov = self.pr_state.invert(self.nfunc)
# Store results
iq0 = self.pr_state.iq0(out)
rg = self.pr_state.rg(out)
pos = self.pr_state.get_positive(out)
pos_err = self.pr_state.get_pos_err(out, cov)
osc = self.pr_state.oscillations(out)
results.d_max.append(self.pr_state.d_max)
results.bck.append(self.pr_state.background)
results.chi2.append(self.pr_state.chi2)
results.iq0.append(iq0)
results.rg.append(rg)
results.pos.append(pos)
results.pos_err.append(pos_err)
results.osc.append(osc)
except:
# This inversion failed, skip this D_max value
msg = "ExploreDialog: inversion failed "
msg += "for D_max=%s\n%s" % (str(d), sys.exc_value)
logging.error(msg)
self.results = results
# Plot the selected output
self._plot_output()
def _do_layout(self):
vbox = wx.GridBagSizer(0, 0)
iy_vb = 0
# ----- I(q) data -----
databox = wx.StaticBox(self, -1, "I(q) data source")
boxsizer1 = wx.StaticBoxSizer(databox, wx.VERTICAL)
boxsizer1.SetMinSize((self._default_width, 50))
pars_sizer = wx.GridBagSizer(5, 5)
iy = 0
self.file_radio = wx.StaticText(self, -1, "Name:")
pars_sizer.Add(self.file_radio, (iy, 0), (1, 1),
wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
self.plot_data = DataFileTextCtrl(self, -1, size=(260, 20))
pars_sizer.Add(self.plot_data, (iy, 1), (1, 1),
wx.EXPAND | wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 15)
self.bck_chk = wx.CheckBox(self, -1, "Estimate background level")
hint_msg = "Check box to let the fit estimate "
hint_msg += "the constant background level."
self.bck_chk.SetToolTipString(hint_msg)
self.bck_chk.Bind(wx.EVT_CHECKBOX, self._on_pars_changed)
iy += 1
pars_sizer.Add(self.bck_chk, (iy, 0), (1, 2),
wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
boxsizer1.Add(pars_sizer, 0, wx.EXPAND)
vbox.Add(boxsizer1, (iy_vb, 0), (1, 1),
wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE | wx.TOP,
5)
# ----- Add slit parameters -----
if True:
sbox = wx.StaticBox(self, -1, "Slit parameters")
sboxsizer = wx.StaticBoxSizer(sbox, wx.VERTICAL)
sboxsizer.SetMinSize((self._default_width, 20))
sizer_slit = wx.GridBagSizer(5, 5)
label_sheight = wx.StaticText(self, -1, "Height", size=(40, 20))
label_swidth = wx.StaticText(self, -1, "Width", size=(40, 20))
label_sunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
self.sheight_ctl = PrTextCtrl(self,
-1,
style=wx.TE_PROCESS_ENTER,
size=(60, 20))
self.swidth_ctl = PrTextCtrl(self,
-1,
style=wx.TE_PROCESS_ENTER,
size=(60, 20))
hint_msg = "Enter slit height in units of Q or leave blank."
self.sheight_ctl.SetToolTipString(hint_msg)
hint_msg = "Enter slit width in units of Q or leave blank."
self.swidth_ctl.SetToolTipString(hint_msg)
iy = 0
sizer_slit.Add(label_sheight, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND,
5)
sizer_slit.Add(self.sheight_ctl, (iy, 1), (1, 1),
wx.LEFT | wx.EXPAND, 5)
sizer_slit.Add(label_swidth, (iy, 2), (1, 1), wx.LEFT | wx.EXPAND,
5)
sizer_slit.Add(self.swidth_ctl, (iy, 3), (1, 1),
wx.LEFT | wx.EXPAND, 5)
sizer_slit.Add(label_sunits2, (iy, 4), (1, 1), wx.LEFT | wx.EXPAND,
5)
sboxsizer.Add(sizer_slit, wx.TOP, 15)
iy_vb += 1
vbox.Add(sboxsizer, (iy_vb, 0), (1, 1),
wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE, 5)
# ----- Q range -----
qbox = wx.StaticBox(self, -1, "Q range")
qboxsizer = wx.StaticBoxSizer(qbox, wx.VERTICAL)
qboxsizer.SetMinSize((self._default_width, 20))
sizer_q = wx.GridBagSizer(5, 5)
label_qmin = wx.StaticText(self, -1, "Q min", size=(40, 20))
label_qmax = wx.StaticText(self, -1, "Q max", size=(40, 20))
label_qunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
self.qmin_ctl = PrTextCtrl(self,
-1,
style=wx.TE_PROCESS_ENTER,
size=(60, 20))
self.qmax_ctl = PrTextCtrl(self,
-1,
style=wx.TE_PROCESS_ENTER,
size=(60, 20))
hint_msg = "Select a lower bound for Q or leave blank."
self.qmin_ctl.SetToolTipString(hint_msg)
hint_msg = "Select an upper bound for Q or leave blank."
self.qmax_ctl.SetToolTipString(hint_msg)
self.qmin_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
self.qmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
iy = 0
sizer_q.Add(label_qmin, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 5)
sizer_q.Add(self.qmin_ctl, (iy, 1), (1, 1), wx.LEFT | wx.EXPAND, 5)
sizer_q.Add(label_qmax, (iy, 2), (1, 1), wx.LEFT | wx.EXPAND, 5)
sizer_q.Add(self.qmax_ctl, (iy, 3), (1, 1), wx.LEFT | wx.EXPAND, 5)
sizer_q.Add(label_qunits2, (iy, 4), (1, 1), wx.LEFT | wx.EXPAND, 5)
qboxsizer.Add(sizer_q, wx.TOP, 15)
iy_vb += 1
vbox.Add(qboxsizer, (iy_vb, 0), (1, 1),
wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE, 5)
# ----- Parameters -----
parsbox = wx.StaticBox(self, -1, "Parameters")
boxsizer2 = wx.StaticBoxSizer(parsbox, wx.VERTICAL)
boxsizer2.SetMinSize((self._default_width, 50))
explanation = "P(r) is found by fitting a set of base functions"
explanation += " to I(Q). The minimization involves"
explanation += " a regularization term to ensure a smooth P(r)."
explanation += " The regularization constant gives the size of that "
explanation += "term. The suggested value is the value above which the"
explanation += " output P(r) will have only one peak."
label_explain = wx.StaticText(self, -1, explanation, size=(280, 90))
boxsizer2.Add(label_explain, wx.LEFT | wx.BOTTOM, 5)
label_nfunc = wx.StaticText(self, -1, "Number of terms")
label_nfunc.SetMinSize((120, 20))
label_alpha = wx.StaticText(self, -1, "Regularization constant")
label_dmax = wx.StaticText(self, -1, "Max distance [A]")
self.label_sugg = wx.StaticText(self, -1, "Suggested value")
self.nfunc_ctl = PrTextCtrl(self,
-1,
style=wx.TE_PROCESS_ENTER,
size=(60, 20))
self.nfunc_ctl.SetToolTipString("Number of terms in the expansion.")
self.alpha_ctl = PrTextCtrl(self,
-1,
style=wx.TE_PROCESS_ENTER,
size=(60, 20))
hint_msg = "Control parameter for the size of the regularization term."
self.alpha_ctl.SetToolTipString(hint_msg)
self.dmax_ctl = PrTextCtrl(self,
-1,
style=wx.TE_PROCESS_ENTER,
size=(60, 20))
hint_msg = "Maximum distance between any two points in the system."
self.dmax_ctl.SetToolTipString(hint_msg)
wx_id = wx.NewId()
self.alpha_estimate_ctl = wx.Button(self, wx_id, "")
self.Bind(wx.EVT_BUTTON, self._on_accept_alpha, id=wx_id)
self.alpha_estimate_ctl.Enable(False)
self.alpha_estimate_ctl.SetToolTipString("Waiting for estimate...")
wx_id = wx.NewId()
self.nterms_estimate_ctl = wx.Button(self, wx_id, "")
#self.nterms_estimate_ctl.Hide()
self.Bind(wx.EVT_BUTTON, self._on_accept_nterms, id=wx_id)
self.nterms_estimate_ctl.Enable(False)
self.nterms_estimate_ctl.SetToolTipString("Waiting for estimate...")
self.nfunc_ctl.Bind(wx.EVT_TEXT, self._read_pars)
self.alpha_ctl.Bind(wx.EVT_TEXT, self._read_pars)
self.dmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
# Distance explorator
wx_id = wx.NewId()
self.distance_explorator_ctl = wx.Button(self, wx_id, "Explore")
self.Bind(wx.EVT_BUTTON, self._on_explore, id=wx_id)
sizer_params = wx.GridBagSizer(5, 5)
iy = 0
sizer_params.Add(self.label_sugg, (iy, 2), (1, 1), wx.LEFT, 15)
iy += 1
sizer_params.Add(label_nfunc, (iy, 0), (1, 1), wx.LEFT, 15)
sizer_params.Add(self.nfunc_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
sizer_params.Add(self.nterms_estimate_ctl, (iy, 2), (1, 1), wx.LEFT,
15)
iy += 1
sizer_params.Add(label_alpha, (iy, 0), (1, 1), wx.LEFT, 15)
sizer_params.Add(self.alpha_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
sizer_params.Add(self.alpha_estimate_ctl, (iy, 2), (1, 1), wx.LEFT, 15)
iy += 1
sizer_params.Add(label_dmax, (iy, 0), (1, 1), wx.LEFT, 15)
sizer_params.Add(self.dmax_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
sizer_params.Add(self.distance_explorator_ctl, (iy, 2), (1, 1),
wx.LEFT, 15)
boxsizer2.Add(sizer_params, 0)
iy_vb += 1
vbox.Add(boxsizer2, (iy_vb, 0), (1, 1),
wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE, 5)
# ----- Results -----
resbox = wx.StaticBox(self, -1, "Outputs")
ressizer = wx.StaticBoxSizer(resbox, wx.VERTICAL)
ressizer.SetMinSize((self._default_width, 50))
label_rg = wx.StaticText(self, -1, "Rg")
label_rg_unit = wx.StaticText(self, -1, "[A]")
label_iq0 = wx.StaticText(self, -1, "I(Q=0)")
label_iq0_unit = wx.StaticText(self, -1, "[A^(-1)]")
label_bck = wx.StaticText(self, -1, "Background")
label_bck_unit = wx.StaticText(self, -1, "[A^(-1)]")
self.rg_ctl = OutputTextCtrl(self, -1, size=(60, 20))
hint_msg = "Radius of gyration for the computed P(r)."
self.rg_ctl.SetToolTipString(hint_msg)
self.iq0_ctl = OutputTextCtrl(self, -1, size=(60, 20))
hint_msg = "Scattering intensity at Q=0 for the computed P(r)."
self.iq0_ctl.SetToolTipString(hint_msg)
self.bck_ctl = OutputTextCtrl(self, -1, size=(60, 20))
self.bck_ctl.SetToolTipString(
"Value of estimated constant background.")
label_time = wx.StaticText(self, -1, "Computation time")
label_time_unit = wx.StaticText(self, -1, "secs")
label_time.SetMinSize((120, 20))
label_chi2 = wx.StaticText(self, -1, "Chi2/dof")
label_osc = wx.StaticText(self, -1, "Oscillations")
label_pos = wx.StaticText(self, -1, "Positive fraction")
label_pos_err = wx.StaticText(self, -1, "1-sigma positive fraction")
self.time_ctl = OutputTextCtrl(self, -1, size=(60, 20))
hint_msg = "Computation time for the last inversion, in seconds."
self.time_ctl.SetToolTipString(hint_msg)
self.chi2_ctl = OutputTextCtrl(self, -1, size=(60, 20))
self.chi2_ctl.SetToolTipString("Chi^2 over degrees of freedom.")
# Oscillation parameter
self.osc_ctl = OutputTextCtrl(self, -1, size=(60, 20))
hint_msg = "Oscillation parameter. P(r) for a sphere has an "
hint_msg += " oscillation parameter of 1.1."
self.osc_ctl.SetToolTipString(hint_msg)
# Positive fraction figure of merit
self.pos_ctl = OutputTextCtrl(self, -1, size=(60, 20))
hint_msg = "Fraction of P(r) that is positive. "
hint_msg += "Theoretically, P(r) is defined positive."
self.pos_ctl.SetToolTipString(hint_msg)
# 1-simga positive fraction figure of merit
self.pos_err_ctl = OutputTextCtrl(self, -1, size=(60, 20))
message = "Fraction of P(r) that is at least 1 standard deviation"
message += " greater than zero.\n"
message += "This figure of merit tells you about the size of the "
message += "P(r) errors.\n"
message += "If it is close to 1 and the other figures of merit are bad,"
message += " consider changing the maximum distance."
self.pos_err_ctl.SetToolTipString(message)
sizer_res = wx.GridBagSizer(5, 5)
iy = 0
sizer_res.Add(label_rg, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
sizer_res.Add(self.rg_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
sizer_res.Add(label_rg_unit, (iy, 2), (1, 1), wx.RIGHT | wx.EXPAND, 15)
iy += 1
sizer_res.Add(label_iq0, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
sizer_res.Add(self.iq0_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
sizer_res.Add(label_iq0_unit, (iy, 2), (1, 1), wx.RIGHT | wx.EXPAND,
15)
iy += 1
sizer_res.Add(label_bck, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
sizer_res.Add(self.bck_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
sizer_res.Add(label_bck_unit, (iy, 2), (1, 1), wx.RIGHT | wx.EXPAND,
15)
iy += 1
sizer_res.Add(label_time, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
sizer_res.Add(self.time_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
sizer_res.Add(label_time_unit, (iy, 2), (1, 1), wx.RIGHT | wx.EXPAND,
15)
iy += 1
sizer_res.Add(label_chi2, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
sizer_res.Add(self.chi2_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
iy += 1
sizer_res.Add(label_osc, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
sizer_res.Add(self.osc_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
iy += 1
sizer_res.Add(label_pos, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
sizer_res.Add(self.pos_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
iy += 1
sizer_res.Add(label_pos_err, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
sizer_res.Add(self.pos_err_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND,
15)
ressizer.Add(sizer_res, 0)
iy_vb += 1
vbox.Add(ressizer, (iy_vb, 0), (1, 1),
wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE, 5)
# ----- Buttons -----
wx_id = wx.NewId()
button_ok = wx.Button(self, wx_id, "Compute")
button_ok.SetToolTipString("Perform P(r) inversion.")
self.Bind(wx.EVT_BUTTON, self._on_invert, id=wx_id)
self.button_help = wx.Button(self, -1, "HELP")
self.button_help.SetToolTipString("Get help on P(r) inversion.")
self.button_help.Bind(wx.EVT_BUTTON, self.on_help)
self._set_reset_flag(True)
self._set_save_flag(True)
sizer_button = wx.BoxSizer(wx.HORIZONTAL)
sizer_button.Add((20, 20), 1, wx.EXPAND | wx.ADJUST_MINSIZE, 0)
sizer_button.Add(button_ok, 0, wx.LEFT | wx.ADJUST_MINSIZE, 10)
sizer_button.Add(self.button_help, 0, wx.LEFT | wx.ADJUST_MINSIZE, 10)
iy_vb += 1
vbox.Add(sizer_button, (iy_vb, 0), (1, 1),
wx.EXPAND | wx.BOTTOM | wx.TOP | wx.RIGHT, 10)
self.Bind(wx.EVT_TEXT_ENTER, self._on_invert)
self.SetSizer(vbox)
class InversionControl(ScrolledPanel, PanelBase):
"""
"""
window_name = 'pr_control'
window_caption = "P(r) control panel"
CENTER_PANE = True
# Figure of merit parameters [default]
## Oscillation parameters (sin function = 1.1)
oscillation_max = 1.5
def __init__(self, parent, id=-1, plots=None, **kwargs):
"""
"""
ScrolledPanel.__init__(self, parent, id=id, **kwargs)
PanelBase.__init__(self, parent)
self.SetupScrolling()
#Set window's font size
self.SetWindowVariant(variant=FONT_VARIANT)
self._set_analysis(False)
self.plots = plots
self.radio_buttons = {}
self.parent = parent.parent
## Data file TextCtrl
self.data_file = None
self.plot_data = None
self.nfunc_ctl = None
self.alpha_ctl = None
self.dmax_ctl = None
self.time_ctl = None
self.chi2_ctl = None
self.osc_ctl = None
self.file_radio = None
self.plot_radio = None
self.label_sugg = None
self.qmin_ctl = None
self.qmax_ctl = None
self.swidth_ctl = None
self.sheight_ctl = None
self.rg_ctl = None
self.iq0_ctl = None
self.bck_chk = None
self.bck_ctl = None
# TextCtrl for fraction of positive P(r)
self.pos_ctl = None
# TextCtrl for fraction of 1 sigma positive P(r)
self.pos_err_ctl = None
## Estimates
self.alpha_estimate_ctl = None
self.nterms_estimate_ctl = None
## D_max distance explorator
self.distance_explorator_ctl = None
## Data manager
self._manager = None
## Default file location for save
self._default_save_location = os.getcwd()
if self.parent is not None:
self._default_save_location = \
self.parent._default_save_location
# Default width
self._default_width = 350
self._do_layout()
def __setattr__(self, name, value):
"""
Allow direct hooks to text boxes
"""
if name == 'nfunc':
self.nfunc_ctl.SetValue(str(int(value)))
elif name == 'd_max':
self.dmax_ctl.SetValue(str(value))
elif name == 'alpha':
self.alpha_ctl.SetValue(str(value))
elif name == 'chi2':
self.chi2_ctl.SetValue("%-5.2g" % value)
elif name == 'bck':
self.bck_ctl.SetValue("%-5.2g" % value)
elif name == 'q_min':
self.qmin_ctl.SetValue("%-5.2g" % value)
elif name == 'q_max':
self.qmax_ctl.SetValue("%-5.2g" % value)
elif name == 'elapsed':
self.time_ctl.SetValue("%-5.2g" % value)
elif name == 'rg':
self.rg_ctl.SetValue("%-5.2g" % value)
elif name == 'iq0':
self.iq0_ctl.SetValue("%-5.2g" % value)
elif name == 'oscillation':
self.osc_ctl.SetValue("%-5.2g" % value)
elif name == 'slit_width':
self.swidth_ctl.SetValue("%-5.2g" % value)
elif name == 'slit_height':
self.sheight_ctl.SetValue("%-5.2g" % value)
elif name == 'positive':
self.pos_ctl.SetValue("%-5.2g" % value)
elif name == 'pos_err':
self.pos_err_ctl.SetValue("%-5.2g" % value)
elif name == 'alpha_estimate':
self.alpha_estimate_ctl.SetToolTipString("Click to accept value.")
self.alpha_estimate_ctl.Enable(True)
self.alpha_estimate_ctl.SetLabel("%-3.1g" % value)
#self.alpha_estimate_ctl.Show()
#self.label_sugg.Show()
elif name == 'nterms_estimate':
self.nterms_estimate_ctl.SetToolTipString("Click to accept value.")
self.nterms_estimate_ctl.Enable(True)
self.nterms_estimate_ctl.SetLabel("%-g" % value)
elif name == 'plotname':
self.plot_data.SetValue(str(value))
self._on_pars_changed(None)
elif name == 'datafile':
self.plot_data.SetValue(str(value))
self._on_pars_changed(None)
else:
wx.Panel.__setattr__(self, name, value)
def __getattr__(self, name):
"""
Allow direct hooks to text boxes
"""
if name == 'nfunc':
try:
return int(self.nfunc_ctl.GetValue())
except:
return -1
elif name == 'd_max':
try:
return self.dmax_ctl.GetValue()
except:
return -1.0
elif name == 'alpha':
try:
return self.alpha_ctl.GetValue()
except:
return -1.0
elif name == 'chi2':
try:
return float(self.chi2_ctl.GetValue())
except:
return None
elif name == 'bck':
try:
return float(self.bck_ctl.GetValue())
except:
return None
elif name == 'q_min':
try:
return float(self.qmin_ctl.GetValue())
except:
return 0.0
elif name == 'q_max':
try:
return float(self.qmax_ctl.GetValue())
except:
return 0.0
elif name == 'elapsed':
try:
return float(self.time_ctl.GetValue())
except:
return None
elif name == 'rg':
try:
return float(self.rg_ctl.GetValue())
except:
return None
elif name == 'iq0':
try:
return float(self.iq0_ctl.GetValue())
except:
return None
elif name == 'oscillation':
try:
return float(self.osc_ctl.GetValue())
except:
return None
elif name == 'slit_width':
try:
return float(self.swidth_ctl.GetValue())
except:
return None
elif name == 'slit_height':
try:
return float(self.sheight_ctl.GetValue())
except:
return None
elif name == 'pos':
try:
return float(self.pos_ctl.GetValue())
except:
return None
elif name == 'pos_err':
try:
return float(self.pos_err_ctl.GetValue())
except:
return None
elif name == 'alpha_estimate':
try:
return float(self.alpha_estimate_ctl.GetLabel())
except:
return None
elif name == 'nterms_estimate':
try:
return int(self.nterms_estimate_ctl.GetLabel())
except:
return None
elif name == 'plotname':
return self.plot_data.GetValue()
elif name == 'datafile':
return self.plot_data.GetValue()
else:
return wx.Panel.__getattribute__(self, name)
def save_project(self, doc=None):
"""
return an xml node containing state of the panel
that guiframe can write to file
"""
data = self.get_data()
state = self.get_state()
if data is not None:
new_doc = self._manager.state_reader.write_toXML(data, state)
if new_doc is not None:
if doc is not None and hasattr(doc, "firstChild"):
child = new_doc.getElementsByTagName("SASentry")
for item in child:
doc.firstChild.appendChild(item)
else:
doc = new_doc
return doc
def on_save(self, evt=None):
"""
Method used to create a memento of the current state
:return: state object
"""
# Ask the user the location of the file to write to.
path = None
if self.parent is not None:
self._default_save_location = self.parent._default_save_location
dlg = wx.FileDialog(self, "Choose a file", self._default_save_location,
self.window_caption, "*.prv", wx.SAVE)
if dlg.ShowModal() == wx.ID_OK:
path = dlg.GetPath()
self._default_save_location = os.path.dirname(path)
if self.parent is not None:
self.parent._default_save_location = self._default_save_location
else:
return None
dlg.Destroy()
state = self.get_state()
# MAC always needs the extension for saving
extens = ".prv"
# Make sure the ext included in the file name
fName = os.path.splitext(path)[0] + extens
self._manager.save_data(filepath=fName, prstate=state)
return state
def get_data(self):
"""
"""
return self._manager.get_data()
def get_state(self):
"""
Get the current state
: return: state object
"""
# Construct the state object
state = InversionState()
# Read the panel's parameters
flag, alpha, dmax, nfunc, qmin, \
qmax, height, width = self._read_pars()
state.nfunc = nfunc
state.d_max = dmax
state.alpha = alpha
state.qmin = qmin
state.qmax = qmax
state.width = width
state.height = height
# Data file
state.file = self.plot_data.GetValue()
# Background evaluation checkbox
state.estimate_bck = self.bck_chk.IsChecked()
# Estimates
state.nterms_estimate = self.nterms_estimate
state.alpha_estimate = self.alpha_estimate
# Read the output values
state.chi2 = self.chi2
state.elapsed = self.elapsed
state.osc = self.oscillation
state.pos = self.pos
state.pos_err = self.pos_err
state.rg = self.rg
state.iq0 = self.iq0
state.bck = self.bck
return state
def set_state(self, state):
"""
Set the state of the panel and inversion problem to
the state passed as a parameter.
Execute the inversion immediately after filling the
controls.
:param state: InversionState object
"""
if state.nfunc is not None:
self.nfunc = state.nfunc
if state.d_max is not None:
self.d_max = state.d_max
if state.alpha is not None:
self.alpha = state.alpha
if state.qmin is not None:
self.q_min = state.qmin
if state.qmax is not None:
self.q_max = state.qmax
if state.width is not None:
self.slit_width = state.width
if state.height is not None:
self.slit_height = state.height
# Data file
self.plot_data.SetValue(str(state.file))
# Background evaluation checkbox
self.bck_chk.SetValue(state.estimate_bck)
# Estimates
if state.nterms_estimate is not None:
self.nterms_estimate = state.nterms_estimate
if state.alpha_estimate is not None:
self.alpha_estimate = state.alpha_estimate
# Read the output values
if state.chi2 is not None:
self.chi2 = state.chi2
if state.elapsed is not None:
self.elapsed = state.elapsed
if state.osc is not None:
self.oscillation = state.osc
if state.pos is not None:
self.positive = state.pos
if state.pos_err is not None:
self.pos_err = state.pos_err
if state.rg is not None:
self.rg = state.rg
if state.iq0 is not None:
self.iq0 = state.iq0
if state.bck is not None:
self.bck = state.bck
# We have the data available for serialization
self._set_analysis(True)
# Perform inversion
self._on_invert(None)
def set_manager(self, manager):
self._manager = manager
if manager is not None:
self._set_analysis(False)
def _do_layout(self):
vbox = wx.GridBagSizer(0, 0)
iy_vb = 0
# ----- I(q) data -----
databox = wx.StaticBox(self, -1, "I(q) data source")
boxsizer1 = wx.StaticBoxSizer(databox, wx.VERTICAL)
boxsizer1.SetMinSize((self._default_width, 50))
pars_sizer = wx.GridBagSizer(5, 5)
iy = 0
self.file_radio = wx.StaticText(self, -1, "Name:")
pars_sizer.Add(self.file_radio, (iy, 0), (1, 1),
wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
self.plot_data = DataFileTextCtrl(self, -1, size=(260, 20))
pars_sizer.Add(self.plot_data, (iy, 1), (1, 1),
wx.EXPAND | wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 15)
self.bck_chk = wx.CheckBox(self, -1, "Estimate background level")
hint_msg = "Check box to let the fit estimate "
hint_msg += "the constant background level."
self.bck_chk.SetToolTipString(hint_msg)
self.bck_chk.Bind(wx.EVT_CHECKBOX, self._on_pars_changed)
iy += 1
pars_sizer.Add(self.bck_chk, (iy, 0), (1, 2),
wx.LEFT | wx.EXPAND | wx.ADJUST_MINSIZE, 15)
boxsizer1.Add(pars_sizer, 0, wx.EXPAND)
vbox.Add(boxsizer1, (iy_vb, 0), (1, 1),
wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE | wx.TOP,
5)
# ----- Add slit parameters -----
if True:
sbox = wx.StaticBox(self, -1, "Slit parameters")
sboxsizer = wx.StaticBoxSizer(sbox, wx.VERTICAL)
sboxsizer.SetMinSize((self._default_width, 20))
sizer_slit = wx.GridBagSizer(5, 5)
label_sheight = wx.StaticText(self, -1, "Height", size=(40, 20))
label_swidth = wx.StaticText(self, -1, "Width", size=(40, 20))
label_sunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
self.sheight_ctl = PrTextCtrl(self,
-1,
style=wx.TE_PROCESS_ENTER,
size=(60, 20))
self.swidth_ctl = PrTextCtrl(self,
-1,
style=wx.TE_PROCESS_ENTER,
size=(60, 20))
hint_msg = "Enter slit height in units of Q or leave blank."
self.sheight_ctl.SetToolTipString(hint_msg)
hint_msg = "Enter slit width in units of Q or leave blank."
self.swidth_ctl.SetToolTipString(hint_msg)
iy = 0
sizer_slit.Add(label_sheight, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND,
5)
sizer_slit.Add(self.sheight_ctl, (iy, 1), (1, 1),
wx.LEFT | wx.EXPAND, 5)
sizer_slit.Add(label_swidth, (iy, 2), (1, 1), wx.LEFT | wx.EXPAND,
5)
sizer_slit.Add(self.swidth_ctl, (iy, 3), (1, 1),
wx.LEFT | wx.EXPAND, 5)
sizer_slit.Add(label_sunits2, (iy, 4), (1, 1), wx.LEFT | wx.EXPAND,
5)
sboxsizer.Add(sizer_slit, wx.TOP, 15)
iy_vb += 1
vbox.Add(sboxsizer, (iy_vb, 0), (1, 1),
wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE, 5)
# ----- Q range -----
qbox = wx.StaticBox(self, -1, "Q range")
qboxsizer = wx.StaticBoxSizer(qbox, wx.VERTICAL)
qboxsizer.SetMinSize((self._default_width, 20))
sizer_q = wx.GridBagSizer(5, 5)
label_qmin = wx.StaticText(self, -1, "Q min", size=(40, 20))
label_qmax = wx.StaticText(self, -1, "Q max", size=(40, 20))
label_qunits2 = wx.StaticText(self, -1, "[A^(-1)]", size=(55, 20))
self.qmin_ctl = PrTextCtrl(self,
-1,
style=wx.TE_PROCESS_ENTER,
size=(60, 20))
self.qmax_ctl = PrTextCtrl(self,
-1,
style=wx.TE_PROCESS_ENTER,
size=(60, 20))
hint_msg = "Select a lower bound for Q or leave blank."
self.qmin_ctl.SetToolTipString(hint_msg)
hint_msg = "Select an upper bound for Q or leave blank."
self.qmax_ctl.SetToolTipString(hint_msg)
self.qmin_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
self.qmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
iy = 0
sizer_q.Add(label_qmin, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 5)
sizer_q.Add(self.qmin_ctl, (iy, 1), (1, 1), wx.LEFT | wx.EXPAND, 5)
sizer_q.Add(label_qmax, (iy, 2), (1, 1), wx.LEFT | wx.EXPAND, 5)
sizer_q.Add(self.qmax_ctl, (iy, 3), (1, 1), wx.LEFT | wx.EXPAND, 5)
sizer_q.Add(label_qunits2, (iy, 4), (1, 1), wx.LEFT | wx.EXPAND, 5)
qboxsizer.Add(sizer_q, wx.TOP, 15)
iy_vb += 1
vbox.Add(qboxsizer, (iy_vb, 0), (1, 1),
wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE, 5)
# ----- Parameters -----
parsbox = wx.StaticBox(self, -1, "Parameters")
boxsizer2 = wx.StaticBoxSizer(parsbox, wx.VERTICAL)
boxsizer2.SetMinSize((self._default_width, 50))
explanation = "P(r) is found by fitting a set of base functions"
explanation += " to I(Q). The minimization involves"
explanation += " a regularization term to ensure a smooth P(r)."
explanation += " The regularization constant gives the size of that "
explanation += "term. The suggested value is the value above which the"
explanation += " output P(r) will have only one peak."
label_explain = wx.StaticText(self, -1, explanation, size=(280, 90))
boxsizer2.Add(label_explain, wx.LEFT | wx.BOTTOM, 5)
label_nfunc = wx.StaticText(self, -1, "Number of terms")
label_nfunc.SetMinSize((120, 20))
label_alpha = wx.StaticText(self, -1, "Regularization constant")
label_dmax = wx.StaticText(self, -1, "Max distance [A]")
self.label_sugg = wx.StaticText(self, -1, "Suggested value")
self.nfunc_ctl = PrTextCtrl(self,
-1,
style=wx.TE_PROCESS_ENTER,
size=(60, 20))
self.nfunc_ctl.SetToolTipString("Number of terms in the expansion.")
self.alpha_ctl = PrTextCtrl(self,
-1,
style=wx.TE_PROCESS_ENTER,
size=(60, 20))
hint_msg = "Control parameter for the size of the regularization term."
self.alpha_ctl.SetToolTipString(hint_msg)
self.dmax_ctl = PrTextCtrl(self,
-1,
style=wx.TE_PROCESS_ENTER,
size=(60, 20))
hint_msg = "Maximum distance between any two points in the system."
self.dmax_ctl.SetToolTipString(hint_msg)
wx_id = wx.NewId()
self.alpha_estimate_ctl = wx.Button(self, wx_id, "")
self.Bind(wx.EVT_BUTTON, self._on_accept_alpha, id=wx_id)
self.alpha_estimate_ctl.Enable(False)
self.alpha_estimate_ctl.SetToolTipString("Waiting for estimate...")
wx_id = wx.NewId()
self.nterms_estimate_ctl = wx.Button(self, wx_id, "")
#self.nterms_estimate_ctl.Hide()
self.Bind(wx.EVT_BUTTON, self._on_accept_nterms, id=wx_id)
self.nterms_estimate_ctl.Enable(False)
self.nterms_estimate_ctl.SetToolTipString("Waiting for estimate...")
self.nfunc_ctl.Bind(wx.EVT_TEXT, self._read_pars)
self.alpha_ctl.Bind(wx.EVT_TEXT, self._read_pars)
self.dmax_ctl.Bind(wx.EVT_TEXT, self._on_pars_changed)
# Distance explorator
wx_id = wx.NewId()
self.distance_explorator_ctl = wx.Button(self, wx_id, "Explore")
self.Bind(wx.EVT_BUTTON, self._on_explore, id=wx_id)
sizer_params = wx.GridBagSizer(5, 5)
iy = 0
sizer_params.Add(self.label_sugg, (iy, 2), (1, 1), wx.LEFT, 15)
iy += 1
sizer_params.Add(label_nfunc, (iy, 0), (1, 1), wx.LEFT, 15)
sizer_params.Add(self.nfunc_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
sizer_params.Add(self.nterms_estimate_ctl, (iy, 2), (1, 1), wx.LEFT,
15)
iy += 1
sizer_params.Add(label_alpha, (iy, 0), (1, 1), wx.LEFT, 15)
sizer_params.Add(self.alpha_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
sizer_params.Add(self.alpha_estimate_ctl, (iy, 2), (1, 1), wx.LEFT, 15)
iy += 1
sizer_params.Add(label_dmax, (iy, 0), (1, 1), wx.LEFT, 15)
sizer_params.Add(self.dmax_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
sizer_params.Add(self.distance_explorator_ctl, (iy, 2), (1, 1),
wx.LEFT, 15)
boxsizer2.Add(sizer_params, 0)
iy_vb += 1
vbox.Add(boxsizer2, (iy_vb, 0), (1, 1),
wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE, 5)
# ----- Results -----
resbox = wx.StaticBox(self, -1, "Outputs")
ressizer = wx.StaticBoxSizer(resbox, wx.VERTICAL)
ressizer.SetMinSize((self._default_width, 50))
label_rg = wx.StaticText(self, -1, "Rg")
label_rg_unit = wx.StaticText(self, -1, "[A]")
label_iq0 = wx.StaticText(self, -1, "I(Q=0)")
label_iq0_unit = wx.StaticText(self, -1, "[A^(-1)]")
label_bck = wx.StaticText(self, -1, "Background")
label_bck_unit = wx.StaticText(self, -1, "[A^(-1)]")
self.rg_ctl = OutputTextCtrl(self, -1, size=(60, 20))
hint_msg = "Radius of gyration for the computed P(r)."
self.rg_ctl.SetToolTipString(hint_msg)
self.iq0_ctl = OutputTextCtrl(self, -1, size=(60, 20))
hint_msg = "Scattering intensity at Q=0 for the computed P(r)."
self.iq0_ctl.SetToolTipString(hint_msg)
self.bck_ctl = OutputTextCtrl(self, -1, size=(60, 20))
self.bck_ctl.SetToolTipString(
"Value of estimated constant background.")
label_time = wx.StaticText(self, -1, "Computation time")
label_time_unit = wx.StaticText(self, -1, "secs")
label_time.SetMinSize((120, 20))
label_chi2 = wx.StaticText(self, -1, "Chi2/dof")
label_osc = wx.StaticText(self, -1, "Oscillations")
label_pos = wx.StaticText(self, -1, "Positive fraction")
label_pos_err = wx.StaticText(self, -1, "1-sigma positive fraction")
self.time_ctl = OutputTextCtrl(self, -1, size=(60, 20))
hint_msg = "Computation time for the last inversion, in seconds."
self.time_ctl.SetToolTipString(hint_msg)
self.chi2_ctl = OutputTextCtrl(self, -1, size=(60, 20))
self.chi2_ctl.SetToolTipString("Chi^2 over degrees of freedom.")
# Oscillation parameter
self.osc_ctl = OutputTextCtrl(self, -1, size=(60, 20))
hint_msg = "Oscillation parameter. P(r) for a sphere has an "
hint_msg += " oscillation parameter of 1.1."
self.osc_ctl.SetToolTipString(hint_msg)
# Positive fraction figure of merit
self.pos_ctl = OutputTextCtrl(self, -1, size=(60, 20))
hint_msg = "Fraction of P(r) that is positive. "
hint_msg += "Theoretically, P(r) is defined positive."
self.pos_ctl.SetToolTipString(hint_msg)
# 1-simga positive fraction figure of merit
self.pos_err_ctl = OutputTextCtrl(self, -1, size=(60, 20))
message = "Fraction of P(r) that is at least 1 standard deviation"
message += " greater than zero.\n"
message += "This figure of merit tells you about the size of the "
message += "P(r) errors.\n"
message += "If it is close to 1 and the other figures of merit are bad,"
message += " consider changing the maximum distance."
self.pos_err_ctl.SetToolTipString(message)
sizer_res = wx.GridBagSizer(5, 5)
iy = 0
sizer_res.Add(label_rg, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
sizer_res.Add(self.rg_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
sizer_res.Add(label_rg_unit, (iy, 2), (1, 1), wx.RIGHT | wx.EXPAND, 15)
iy += 1
sizer_res.Add(label_iq0, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
sizer_res.Add(self.iq0_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
sizer_res.Add(label_iq0_unit, (iy, 2), (1, 1), wx.RIGHT | wx.EXPAND,
15)
iy += 1
sizer_res.Add(label_bck, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
sizer_res.Add(self.bck_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
sizer_res.Add(label_bck_unit, (iy, 2), (1, 1), wx.RIGHT | wx.EXPAND,
15)
iy += 1
sizer_res.Add(label_time, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
sizer_res.Add(self.time_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
sizer_res.Add(label_time_unit, (iy, 2), (1, 1), wx.RIGHT | wx.EXPAND,
15)
iy += 1
sizer_res.Add(label_chi2, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
sizer_res.Add(self.chi2_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
iy += 1
sizer_res.Add(label_osc, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
sizer_res.Add(self.osc_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
iy += 1
sizer_res.Add(label_pos, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
sizer_res.Add(self.pos_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND, 15)
iy += 1
sizer_res.Add(label_pos_err, (iy, 0), (1, 1), wx.LEFT | wx.EXPAND, 15)
sizer_res.Add(self.pos_err_ctl, (iy, 1), (1, 1), wx.RIGHT | wx.EXPAND,
15)
ressizer.Add(sizer_res, 0)
iy_vb += 1
vbox.Add(ressizer, (iy_vb, 0), (1, 1),
wx.LEFT | wx.RIGHT | wx.EXPAND | wx.ADJUST_MINSIZE, 5)
# ----- Buttons -----
wx_id = wx.NewId()
button_ok = wx.Button(self, wx_id, "Compute")
button_ok.SetToolTipString("Perform P(r) inversion.")
self.Bind(wx.EVT_BUTTON, self._on_invert, id=wx_id)
self.button_help = wx.Button(self, -1, "HELP")
self.button_help.SetToolTipString("Get help on P(r) inversion.")
self.button_help.Bind(wx.EVT_BUTTON, self.on_help)
self._set_reset_flag(True)
self._set_save_flag(True)
sizer_button = wx.BoxSizer(wx.HORIZONTAL)
sizer_button.Add((20, 20), 1, wx.EXPAND | wx.ADJUST_MINSIZE, 0)
sizer_button.Add(button_ok, 0, wx.LEFT | wx.ADJUST_MINSIZE, 10)
sizer_button.Add(self.button_help, 0, wx.LEFT | wx.ADJUST_MINSIZE, 10)
iy_vb += 1
vbox.Add(sizer_button, (iy_vb, 0), (1, 1),
wx.EXPAND | wx.BOTTOM | wx.TOP | wx.RIGHT, 10)
self.Bind(wx.EVT_TEXT_ENTER, self._on_invert)
self.SetSizer(vbox)
def _on_accept_alpha(self, evt):
"""
User has accepted the estimated alpha,
set it as part of the input parameters
"""
try:
alpha = self.alpha_estimate_ctl.GetLabel()
# Check that we have a number
float(alpha)
self.alpha_ctl.SetValue(alpha)
except ValueError:
logger.error(
"InversionControl._on_accept_alpha got a value that was not a number: %s"
% alpha)
except:
# No estimate or bad estimate, either do nothing
logger.error("InversionControl._on_accept_alpha: %s" %
sys.exc_value)
def _on_accept_nterms(self, evt):
"""
User has accepted the estimated number of terms,
set it as part of the input parameters
"""
try:
nterms = self.nterms_estimate_ctl.GetLabel()
# Check that we have a number
float(nterms)
self.nfunc_ctl.SetValue(nterms)
except ValueError:
logger.error(
"InversionControl._on_accept_nterms got a value that was not a number: %s"
% nterms)
except:
# No estimate or bad estimate, either do nothing
logger.error("InversionControl._on_accept_nterms: %s" %
sys.exc_value)
def clear_panel(self):
"""
"""
self.plot_data.SetValue("")
self.on_reset(event=None)
def on_reset(self, event=None):
"""
Resets inversion parameters
"""
self.nfunc = self._manager.DEFAULT_NFUNC
self.d_max = self._manager.DEFAULT_DMAX
self.alpha = self._manager.DEFAULT_ALPHA
self.qmin_ctl.SetValue("")
self.qmax_ctl.SetValue("")
self.time_ctl.SetValue("")
self.rg_ctl.SetValue("")
self.iq0_ctl.SetValue("")
self.bck_ctl.SetValue("")
self.chi2_ctl.SetValue("")
self.osc_ctl.SetValue("")
self.pos_ctl.SetValue("")
self.pos_err_ctl.SetValue("")
self.alpha_estimate_ctl.Enable(False)
self.alpha_estimate_ctl.SetLabel("")
self.nterms_estimate_ctl.Enable(False)
self.nterms_estimate_ctl.SetLabel("")
self._set_analysis(False)
self._on_pars_changed()
def _on_pars_changed(self, evt=None):
"""
Called when an input parameter has changed
We will estimate the alpha parameter behind the
scenes.
"""
flag, alpha, dmax, nfunc, qmin, qmax, height, width = self._read_pars()
has_bck = self.bck_chk.IsChecked()
# If the pars are valid, estimate alpha
if flag:
self.nterms_estimate_ctl.Enable(False)
self.alpha_estimate_ctl.Enable(False)
dataset = self.plot_data.GetValue()
if dataset is not None and dataset.strip() != "":
self._manager.estimate_plot_inversion(alpha=alpha,
nfunc=nfunc,
d_max=dmax,
q_min=qmin,
q_max=qmax,
bck=has_bck,
height=height,
width=width)
def _read_pars(self, evt=None):
"""
"""
alpha = 0
nfunc = 5
dmax = 120
qmin = 0
qmax = 0
height = 0
width = 0
flag = True
# Read slit height
try:
height_str = self.sheight_ctl.GetValue()
if len(height_str.lstrip().rstrip()) == 0:
height = 0
else:
height = float(height_str)
self.sheight_ctl.SetBackgroundColour(wx.WHITE)
self.sheight_ctl.Refresh()
except:
flag = False
self.sheight_ctl.SetBackgroundColour("pink")
self.sheight_ctl.Refresh()
# Read slit width
try:
width_str = self.swidth_ctl.GetValue()
if len(width_str.lstrip().rstrip()) == 0:
width = 0
else:
width = float(width_str)
self.swidth_ctl.SetBackgroundColour(wx.WHITE)
self.swidth_ctl.Refresh()
except:
flag = False
self.swidth_ctl.SetBackgroundColour("pink")
self.swidth_ctl.Refresh()
# Read alpha
try:
alpha = float(self.alpha_ctl.GetValue())
self.alpha_ctl.SetBackgroundColour(wx.WHITE)
self.alpha_ctl.Refresh()
except:
flag = False
self.alpha_ctl.SetBackgroundColour("pink")
self.alpha_ctl.Refresh()
# Read d_max
try:
dmax = float(self.dmax_ctl.GetValue())
self.dmax_ctl.SetBackgroundColour(wx.WHITE)
self.dmax_ctl.Refresh()
except:
flag = False
self.dmax_ctl.SetBackgroundColour("pink")
self.dmax_ctl.Refresh()
# Read nfunc
try:
nfunc = int(self.nfunc_ctl.GetValue())
npts = self._manager.get_npts()
if npts > 0 and nfunc > npts:
message = "Number of function terms should be smaller "
message += "than the number of points"
wx.PostEvent(self._manager.parent, StatusEvent(status=message))
raise ValueError, message
self.nfunc_ctl.SetBackgroundColour(wx.WHITE)
self.nfunc_ctl.Refresh()
except:
flag = False
self.nfunc_ctl.SetBackgroundColour("pink")
self.nfunc_ctl.Refresh()
# Read qmin
try:
qmin_str = self.qmin_ctl.GetValue()
if len(qmin_str.lstrip().rstrip()) == 0:
qmin = None
else:
qmin = float(qmin_str)
self.qmin_ctl.SetBackgroundColour(wx.WHITE)
self.qmin_ctl.Refresh()
except:
flag = False
self.qmin_ctl.SetBackgroundColour("pink")
self.qmin_ctl.Refresh()
# Read qmax
try:
qmax_str = self.qmax_ctl.GetValue()
if len(qmax_str.lstrip().rstrip()) == 0:
qmax = None
else:
qmax = float(qmax_str)
self.qmax_ctl.SetBackgroundColour(wx.WHITE)
self.qmax_ctl.Refresh()
except:
flag = False
self.qmax_ctl.SetBackgroundColour("pink")
self.qmax_ctl.Refresh()
return flag, alpha, dmax, nfunc, qmin, qmax, height, width
def _on_explore(self, evt):
"""
Invoke the d_max exploration dialog
"""
from explore_dialog import ExploreDialog
if self._manager._last_pr is not None:
pr = self._manager._create_plot_pr()
dialog = ExploreDialog(pr, 10, None, -1, "")
dialog.Show()
else:
message = "No data to analyze. Please load a data set to proceed."
wx.PostEvent(self._manager.parent, StatusEvent(status=message))
def _on_invert(self, evt):
"""
Perform inversion
:param silent: when True, there will be no output for the user
"""
# Get the data from the form
# Push it to the manager
flag, alpha, dmax, nfunc, qmin, qmax, height, width = self._read_pars()
has_bck = self.bck_chk.IsChecked()
if flag:
dataset = self.plot_data.GetValue()
if dataset is None or len(dataset.strip()) == 0:
message = "No data to invert. Select a data set before"
message += " proceeding with P(r) inversion."
wx.PostEvent(self._manager.parent, StatusEvent(status=message))
else:
self._manager.setup_plot_inversion(alpha=alpha,
nfunc=nfunc,
d_max=dmax,
q_min=qmin,
q_max=qmax,
bck=has_bck,
height=height,
width=width)
else:
message = "The P(r) form contains invalid values: "
message += "please submit it again."
wx.PostEvent(self.parent, StatusEvent(status=message))
def _change_file(self, evt=None, filepath=None, data=None):
"""
Choose a new input file for I(q)
"""
if self._manager is not None:
self.plot_data.SetValue(str(data.name))
try:
self._manager.show_data(data=data, reset=True)
self._on_pars_changed(None)
self._on_invert(None)
self._set_analysis(True)
except:
msg = "InversionControl._change_file: %s" % sys.exc_value
logger.error(msg)
def on_help(self, event):
"""
Bring up the P(r) Documentation whenever
the HELP button is clicked.
Calls DocumentationWindow with the path of the location within the
documentation tree (after /doc/ ....". Note that when using old
versions of Wx (before 2.9) and thus not the release version of
installers, the help comes up at the top level of the file as
webbrowser does not pass anything past the # to the browser when it is
running "file:///...."
:param evt: Triggers on clicking the help button
"""
_TreeLocation = "user/sasgui/perspectives/pr/pr_help.html"
_doc_viewer = DocumentationWindow(self, -1, _TreeLocation, "",
"P(r) Help")
class PrDistDialog(wx.Dialog):
"""
Property dialog to let the user change the number
of points on the P(r) plot.
"""
def __init__(self, parent, id):
from sas.sascalc.pr.invertor import help
wx.Dialog.__init__(self, parent, id, size=(250, 120))
self.SetTitle("P(r) distribution")
vbox = wx.BoxSizer(wx.VERTICAL)
label_npts = wx.StaticText(self, -1, "Number of points")
self.npts_ctl = PrTextCtrl(self, -1, size=(100, 20))
pars_sizer = wx.GridBagSizer(5, 5)
iy = 0
pars_sizer.Add(label_npts, (iy, 0), (1, 1), wx.LEFT, 15)
pars_sizer.Add(self.npts_ctl, (iy, 1), (1, 1), wx.RIGHT, 0)
vbox.Add(pars_sizer, 0, wx.ALL | wx.EXPAND, 15)
static_line = wx.StaticLine(self, -1)
vbox.Add(static_line, 0, wx.EXPAND, 0)
button_ok = wx.Button(self, wx.ID_OK, "OK")
self.Bind(wx.EVT_BUTTON, self._checkValues, button_ok)
button_cancel = wx.Button(self, wx.ID_CANCEL, "Cancel")
sizer_button = wx.BoxSizer(wx.HORIZONTAL)
sizer_button.Add((20, 20), 1, wx.EXPAND | wx.ADJUST_MINSIZE, 0)
sizer_button.Add(button_ok, 0, wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE,
10)
sizer_button.Add(button_cancel, 0,
wx.LEFT | wx.RIGHT | wx.ADJUST_MINSIZE, 10)
vbox.Add(sizer_button, 0, wx.EXPAND | wx.BOTTOM | wx.TOP, 10)
self.SetSizer(vbox)
self.SetAutoLayout(True)
self.Layout()
self.Centre()
def _checkValues(self, event):
"""
Check the dialog content.
"""
flag = True
try:
int(self.npts_ctl.GetValue())
self.npts_ctl.SetBackgroundColour(wx.WHITE)
self.npts_ctl.Refresh()
except:
flag = False
self.npts_ctl.SetBackgroundColour("pink")
self.npts_ctl.Refresh()
if flag:
event.Skip(True)
def get_content(self):
"""
Return the content of the dialog.
At this point the values have already been
checked.
"""
value = int(self.npts_ctl.GetValue())
return value
def set_content(self, npts):
"""
Initialize the content of the dialog.
"""
self.npts_ctl.SetValue("%i" % npts)