sld_panel.py @ 0b12abb5

ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalccostrafo411magnetic_scattrelease-4.1.1release-4.1.2release-4.2.2release_4.0.1ticket-1009ticket-1094-headlessticket-1242-2d-resolutionticket-1243ticket-1249ticket885unittest-saveload

Last change on this file since 0b12abb5 was edb3a5d0, checked in by Gervaise Alina <gervyh@…>, 15 years ago
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1	"""
2	This module provide GUI for the neutron scattering length density calculator
3	@author: Gervaise B. Alina
4	"""
5
6	import wx
7	import sys
8
9	from sans.guiframe.utils import format_number, check_float
10	from sans.guicomm.events import StatusEvent
11	from sans.calculator.sld_calculator import SldCalculator
12
13	_BOX_WIDTH = 76
14	_STATICBOX_WIDTH = 350
15	_SCALE = 1e-6
16
17	#SLD panel size
18	if sys.platform.count("win32")>0:
19	_STATICBOX_WIDTH = 350
20	PANEL_SIZE = 400
21	FONT_VARIANT = 0
22	else:
23	_STATICBOX_WIDTH = 380
24	PANEL_SIZE = 430
25	FONT_VARIANT = 1
26
27	class SldPanel(wx.Panel):
28	"""
29	Provides the SLD calculator GUI.
30	"""
31	## Internal nickname for the window, used by the AUI manager
32	window_name = "SLD Calculator"
33	## Name to appear on the window title bar
34	window_caption = "SLD Calculator"
35	## Flag to tell the AUI manager to put this panel in the center pane
36	CENTER_PANE = True
37	def __init__(self, parent,base=None, id = -1):
38	wx.Panel.__init__(self, parent, id = id)
39	#Font size
40	self.SetWindowVariant(variant=FONT_VARIANT)
41
42	# Object that receive status event
43	self.base = base
44	self.calculator = SldCalculator()
45	self.wavelength = self.calculator.wavelength
46
47	self._do_layout()
48	self.SetAutoLayout(True)
49	self.Layout()
50
51
52	def _do_layout(self):
53	"""
54	Draw window content
55	"""
56	unit_a = '[A]'
57	unit_density = '[g/cm^(3)]'
58	unit_sld = '[1/A^(2)]'
59	unit_cm1 ='[1/cm]'
60	unit_cm ='[cm]'
61	sizer_input = wx.GridBagSizer(5,5)
62	sizer_output = wx.GridBagSizer(5,5)
63	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
64	sizer1 = wx.BoxSizer(wx.HORIZONTAL)
65	sizer2 = wx.BoxSizer(wx.HORIZONTAL)
66	sizer3 = wx.BoxSizer(wx.HORIZONTAL)
67	#---------inputs----------------
68	inputbox = wx.StaticBox(self, -1, "Input")
69	boxsizer1 = wx.StaticBoxSizer(inputbox, wx.VERTICAL)
70	boxsizer1.SetMinSize((_STATICBOX_WIDTH,-1))
71
72	compound_txt = wx.StaticText(self, -1, 'Compound ')
73	self.compound_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
74	density_txt = wx.StaticText(self, -1, 'Density ')
75	self.density_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
76	unit_density_txt = wx.StaticText(self, -1, unit_density)
77	wavelength_txt = wx.StaticText(self, -1, 'Wavelength ')
78	self.wavelength_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
79	self.wavelength_ctl.SetValue(str(self.wavelength))
80	unit_a_txt = wx.StaticText(self, -1, unit_a)
81	iy = 0
82	ix = 0
83	sizer_input.Add(compound_txt,(iy, ix),(1,1),\
84	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
85	ix +=1
86	sizer_input.Add(self.compound_ctl,(iy, ix),(1,1),\
87	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
88	iy += 1
89	ix = 0
90	sizer_input.Add(density_txt,(iy, ix),(1,1),\
91	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
92	ix += 1
93	sizer_input.Add(self.density_ctl, (iy, ix), (1,1),\
94	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
95	ix +=1
96	sizer_input.Add(unit_density_txt,(iy, ix),(1,1),\
97	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
98	iy += 1
99	ix = 0
100	sizer_input.Add(wavelength_txt, (iy, ix),(1,1),\
101	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
102	ix += 1
103	sizer_input.Add(self.wavelength_ctl,(iy, ix),(1,1),\
104	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
105	ix += 1
106	sizer_input.Add(unit_a_txt,(iy, ix),(1,1),\
107	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
108	boxsizer1.Add( sizer_input )
109	sizer1.Add(boxsizer1,0, wx.EXPAND \| wx.ALL, 10)
110	#---------Outputs sizer--------
111	outputbox = wx.StaticBox(self, -1, "Output")
112	boxsizer2 = wx.StaticBoxSizer(outputbox, wx.VERTICAL)
113	boxsizer2.SetMinSize((_STATICBOX_WIDTH,-1))
114
115	i_complex = '+ i'
116	neutron_sld_txt = wx.StaticText(self, -1, 'Neutron SLD')
117	self.neutron_sld_reel_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
118	self.neutron_sld_reel_ctl.SetEditable(False)
119	self.neutron_sld_reel_ctl.SetToolTipString("Neutron SLD real.")
120	self.neutron_sld_im_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
121	self.neutron_sld_im_ctl.SetEditable(False)
122	self.neutron_sld_im_ctl.SetToolTipString("Neutron SLD imaginary.")
123	neutron_sld_units_txt = wx.StaticText(self, -1, unit_sld)
124
125	cu_ka_sld_txt = wx.StaticText(self, -1, 'Cu Ka SLD')
126	self.cu_ka_sld_reel_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
127	self.cu_ka_sld_reel_ctl.SetEditable(False)
128	self.cu_ka_sld_reel_ctl.SetToolTipString("Cu Ka SLD real.")
129	self.cu_ka_sld_im_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
130	self.cu_ka_sld_im_ctl.SetEditable(False)
131	self.cu_ka_sld_im_ctl.SetToolTipString("Cu Ka SLD imaginary.")
132	cu_ka_sld_units_txt = wx.StaticText(self, -1, unit_sld)
133
134	mo_ka_sld_txt = wx.StaticText(self, -1, 'Mo Ka SLD')
135	self.mo_ka_sld_reel_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
136	self.mo_ka_sld_reel_ctl.SetEditable(False)
137	self.mo_ka_sld_reel_ctl.SetToolTipString("Mo Ka SLD real.")
138	self.mo_ka_sld_im_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
139	self.mo_ka_sld_im_ctl.SetEditable(False)
140	self.mo_ka_sld_im_ctl.SetToolTipString("Mo Ka SLD imaginary.")
141	mo_ka_sld_units_txt = wx.StaticText(self, -1, unit_sld)
142
143	neutron_inc_txt = wx.StaticText(self, -1, 'Neutron Inc. Xs')
144	self.neutron_inc_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
145	self.neutron_inc_ctl.SetEditable(False)
146	self.neutron_inc_ctl.SetToolTipString("Neutron Inc. Xs")
147	neutron_inc_units_txt = wx.StaticText(self, -1, unit_cm1)
148	neutron_inc_txt.Hide()
149	self.neutron_inc_ctl.Hide()
150	neutron_inc_units_txt.Hide()
151	neutron_abs_txt = wx.StaticText(self, -1, 'Neutron Abs. Xs')
152	self.neutron_abs_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
153	self.neutron_abs_ctl.SetEditable(False)
154	self.neutron_abs_ctl.SetToolTipString("Neutron Abs. Xs")
155	neutron_abs_units_txt = wx.StaticText(self, -1, unit_cm1)
156	neutron_abs_txt.Hide()
157	self.neutron_abs_ctl.Hide()
158	neutron_abs_units_txt.Hide()
159	neutron_length_txt = wx.StaticText(self, -1, 'Neutron 1/e length')
160	self.neutron_length_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
161	self.neutron_length_ctl.SetEditable(False)
162	self.neutron_length_ctl.SetToolTipString("Neutron 1/e length")
163	neutron_length_units_txt = wx.StaticText(self, -1, unit_cm)
164	neutron_length_txt.Hide()
165	self.neutron_length_ctl.Hide()
166	neutron_length_units_txt.Hide()
167	iy = 0
168	ix = 0
169	sizer_output.Add(neutron_sld_txt,(iy, ix),(1,1),
170	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
171	ix += 1
172	sizer_output.Add(self.neutron_sld_reel_ctl,(iy, ix),(1,1),
173	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
174	ix += 1
175	sizer_output.Add(wx.StaticText(self, -1, i_complex)
176	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
177	ix +=1
178	sizer_output.Add(self.neutron_sld_im_ctl
179	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
180	ix +=1
181	sizer_output.Add(neutron_sld_units_txt
182	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
183	iy += 1
184	ix = 0
185	sizer_output.Add(cu_ka_sld_txt,(iy, ix),(1,1),
186	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
187	ix +=1
188	sizer_output.Add(self.cu_ka_sld_reel_ctl,(iy, ix),(1,1),
189	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
190	ix +=1
191	sizer_output.Add(wx.StaticText(self, -1, i_complex)
192	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
193	ix += 1
194	sizer_output.Add(self.cu_ka_sld_im_ctl
195	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
196	ix += 1
197	sizer_output.Add(cu_ka_sld_units_txt
198	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
199	iy += 1
200	ix = 0
201	sizer_output.Add(mo_ka_sld_txt,(iy, ix),(1,1),
202	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
203	ix +=1
204	sizer_output.Add(self.mo_ka_sld_reel_ctl,(iy, ix),(1,1),
205	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
206	ix +=1
207	sizer_output.Add(wx.StaticText(self, -1, i_complex)
208	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
209	ix += 1
210	sizer_output.Add(self.mo_ka_sld_im_ctl
211	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
212	ix +=1
213	sizer_output.Add(mo_ka_sld_units_txt
214	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
215	iy += 1
216	ix = 0
217	sizer_output.Add(neutron_inc_txt,(iy, ix),(1,1),
218	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
219	ix += 1
220	sizer_output.Add(self.neutron_inc_ctl,(iy, ix),(1,1),
221	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
222	ix += 2
223	sizer_output.Add(neutron_inc_units_txt,(iy, ix),(1,1),
224	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
225	iy += 1
226	ix = 0
227	sizer_output.Add(neutron_abs_txt, (iy, ix), (1,1),
228	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
229	ix += 1
230	sizer_output.Add(self.neutron_abs_ctl, (iy, ix), (1,1),
231	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
232	ix +=2
233	sizer_output.Add(neutron_abs_units_txt, (iy, ix), (1,1),
234	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
235	iy += 1
236	ix = 0
237	sizer_output.Add(neutron_length_txt, (iy, ix), (1,1),
238	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
239	ix +=1
240	sizer_output.Add(self.neutron_length_ctl, (iy, ix), (1,1),
241	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
242	ix += 2
243	sizer_output.Add(neutron_length_units_txt, (iy, ix), (1,1),
244	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
245	boxsizer2.Add( sizer_output )
246	sizer2.Add(boxsizer2,0, wx.EXPAND\|wx.ALL, 10)
247	#-----Button sizer------------
248
249	id = wx.NewId()
250	button_calculate = wx.Button(self, id, "Calculate")
251	button_calculate.SetToolTipString("Calculate SLD.")
252	self.Bind(wx.EVT_BUTTON, self.calculateSld, id = id)
253
254	sizer_button.Add((250, 20), 1, wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
255	sizer_button.Add(button_calculate, 0, wx.RIGHT\|wx.ADJUST_MINSIZE,20)
256	sizer3.Add(sizer_button)
257	#---------layout----------------
258	vbox = wx.BoxSizer(wx.VERTICAL)
259	vbox.Add(sizer1)
260	vbox.Add(sizer2)
261	vbox.Add(sizer3)
262	vbox.Fit(self)
263	self.SetSizer(vbox)
264
265
266	def check_inputs(self):
267	"""Check validity user inputs"""
268	flag = True
269
270	if check_float(self.density_ctl):
271	self.density = float(self.density_ctl.GetValue())
272	else:
273	flag = False
274	raise ValueError,"Error for Density value :expect float"
275
276	self.wavelength = self.wavelength_ctl.GetValue()
277	if self.wavelength.lstrip().rstrip() == "":
278	self.wavelength = self.calculator.wavelength
279	else:
280	if check_float(self.wavelength_ctl):
281	self.wavelength = float(self.wavelength)
282	else:
283	flag = False
284	raise ValueError,"Error for wavelenth value :expect float"
285
286	self.formulata_text = self.compound_ctl.GetValue().lstrip().rstrip()
287	if self.formulata_text != "":
288	self.compound_ctl.SetBackgroundColour(wx.WHITE)
289	self.compound_ctl.Refresh()
290	else:
291	self.compound_ctl.SetBackgroundColour("pink")
292	self.compound_ctl.Refresh()
293	flag = False
294	raise ValueError, "Enter a formula"
295	return flag
296
297	def calculateSld(self, event):
298	"""
299	Calculate the neutron scattering density length of a molecule
300	"""
301	try:
302	#Check validity user inputs
303	if self.check_inputs():
304	#get ready to compute
305	try:
306	self.calculator.set_value(self.formulata_text,
307	self.density, self.wavelength)
308	except:
309	if self.base is not None:
310	msg = "SLD Calculator: %s" %(sys.exc_value)
311	wx.PostEvent(self.base, StatusEvent(status=msg))
312	else:
313	raise
314	return
315
316	# Compute the Cu SLD
317	Cu_reel, Cu_im = self.calculator.calculate_xray_sld( "Cu")
318	self.cu_ka_sld_reel_ctl.SetValue(format_number(Cu_reel *_SCALE))
319	self.cu_ka_sld_im_ctl.SetValue(format_number(Cu_im * _SCALE))
320
321	# Compute the Mo SLD
322	Mo_reel, Mo_im = self.calculator.calculate_xray_sld( "Mo")
323	self.mo_ka_sld_reel_ctl.SetValue(format_number(Mo_reel *_SCALE))
324	self.mo_ka_sld_im_ctl.SetValue(format_number(Mo_im * _SCALE))
325
326	sld_real, sld_im, inc = self.calculator.calculate_neutron_sld()
327	length = self.calculator.calculate_length()
328	# Neutron SLD
329	#need to be compute by element package
330	absorp = 1.0
331	length = 1.0
332	self.neutron_sld_reel_ctl.SetValue(format_number(sld_real * _SCALE))
333	self.neutron_sld_im_ctl.SetValue(format_number(sld_im * _SCALE))
334	self.neutron_inc_ctl.SetValue(format_number(inc))
335	self.neutron_abs_ctl.SetValue(format_number(absorp))
336	# Neutron length
337	self.neutron_length_ctl.SetValue(format_number(length))
338	# display wavelength
339	self.wavelength_ctl.SetValue(str(self.wavelength))
340	except:
341	if self.base is not None:
342	msg = "SLD Calculator: %s"%(sys.exc_value)
343	wx.PostEvent(self.base, StatusEvent(status=msg))
344	else:
345	raise
346	return
347
348
349
350
351
352
353
354
355
356	class SldWindow(wx.Frame):
357	def __init__(self, parent=None, id=1, title="SLD Calculator",base=None):
358	wx.Frame.__init__(self, parent, id, title, size=( PANEL_SIZE, PANEL_SIZE))
359
360	self.panel = SldPanel(self, base=base)
361	self.Centre()
362	self.Show(True)
363
364	class ViewApp(wx.App):
365	def OnInit(self):
366	frame = SldWindow(None, -1, 'SLD Calculator')
367	frame.Show(True)
368	self.SetTopWindow(frame)
369
370	return True
371
372
373	if __name__ == "__main__":
374	app = ViewApp(0)
375	app.MainLoop()

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source: sasview/calculatorview/perspectives/calculator/sld_panel.py @ 0b12abb5

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