sld_panel.py @ d84a90c

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 d84a90c was 25a2ee3, checked in by Gervaise Alina <gervyh@…>, 15 years ago
working on documentation
Property mode set to `100644`
File size: 15.1 KB

Line
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
149	neutron_abs_txt = wx.StaticText(self, -1, 'Neutron Abs. Xs')
150	self.neutron_abs_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
151	self.neutron_abs_ctl.SetEditable(False)
152	self.neutron_abs_ctl.SetToolTipString("Neutron Abs. Xs")
153	neutron_abs_units_txt = wx.StaticText(self, -1, unit_cm1)
154
155	neutron_length_txt = wx.StaticText(self, -1, 'Neutron 1/e length')
156	self.neutron_length_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH,-1))
157	self.neutron_length_ctl.SetEditable(False)
158	self.neutron_length_ctl.SetToolTipString("Neutron 1/e length")
159	neutron_length_units_txt = wx.StaticText(self, -1, unit_cm)
160
161	iy = 0
162	ix = 0
163	sizer_output.Add(neutron_sld_txt,(iy, ix),(1,1),
164	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
165	ix += 1
166	sizer_output.Add(self.neutron_sld_reel_ctl,(iy, ix),(1,1),
167	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
168	ix += 1
169	sizer_output.Add(wx.StaticText(self, -1, i_complex)
170	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
171	ix +=1
172	sizer_output.Add(self.neutron_sld_im_ctl
173	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
174	ix +=1
175	sizer_output.Add(neutron_sld_units_txt
176	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
177	iy += 1
178	ix = 0
179	sizer_output.Add(cu_ka_sld_txt,(iy, ix),(1,1),
180	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
181	ix +=1
182	sizer_output.Add(self.cu_ka_sld_reel_ctl,(iy, ix),(1,1),
183	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
184	ix +=1
185	sizer_output.Add(wx.StaticText(self, -1, i_complex)
186	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
187	ix += 1
188	sizer_output.Add(self.cu_ka_sld_im_ctl
189	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
190	ix += 1
191	sizer_output.Add(cu_ka_sld_units_txt
192	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
193	iy += 1
194	ix = 0
195	sizer_output.Add(mo_ka_sld_txt,(iy, ix),(1,1),
196	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
197	ix +=1
198	sizer_output.Add(self.mo_ka_sld_reel_ctl,(iy, ix),(1,1),
199	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
200	ix +=1
201	sizer_output.Add(wx.StaticText(self, -1, i_complex)
202	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
203	ix += 1
204	sizer_output.Add(self.mo_ka_sld_im_ctl
205	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
206	ix +=1
207	sizer_output.Add(mo_ka_sld_units_txt
208	,(iy, ix),(1,1),wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
209	iy += 1
210	ix = 0
211	sizer_output.Add(neutron_inc_txt,(iy, ix),(1,1),
212	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
213	ix += 1
214	sizer_output.Add(self.neutron_inc_ctl,(iy, ix),(1,1),
215	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
216	ix += 2
217	sizer_output.Add(neutron_inc_units_txt,(iy, ix),(1,1),
218	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
219	iy += 1
220	ix = 0
221	sizer_output.Add(neutron_abs_txt, (iy, ix), (1,1),
222	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
223	ix += 1
224	sizer_output.Add(self.neutron_abs_ctl, (iy, ix), (1,1),
225	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
226	ix +=2
227	sizer_output.Add(neutron_abs_units_txt, (iy, ix), (1,1),
228	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
229	iy += 1
230	ix = 0
231	sizer_output.Add(neutron_length_txt, (iy, ix), (1,1),
232	wx.LEFT\|wx.EXPAND\|wx.ADJUST_MINSIZE, 15)
233	ix +=1
234	sizer_output.Add(self.neutron_length_ctl, (iy, ix), (1,1),
235	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
236	ix += 2
237	sizer_output.Add(neutron_length_units_txt, (iy, ix), (1,1),
238	wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
239	boxsizer2.Add( sizer_output )
240	sizer2.Add(boxsizer2,0, wx.EXPAND\|wx.ALL, 10)
241	#-----Button sizer------------
242
243	id = wx.NewId()
244	button_calculate = wx.Button(self, id, "Calculate")
245	button_calculate.SetToolTipString("Calculate SLD.")
246	self.Bind(wx.EVT_BUTTON, self.calculateSld, id = id)
247
248	sizer_button.Add((250, 20), 1, wx.EXPAND\|wx.ADJUST_MINSIZE, 0)
249	sizer_button.Add(button_calculate, 0, wx.RIGHT\|wx.ADJUST_MINSIZE,20)
250	sizer3.Add(sizer_button)
251	#---------layout----------------
252	vbox = wx.BoxSizer(wx.VERTICAL)
253	vbox.Add(sizer1)
254	vbox.Add(sizer2)
255	vbox.Add(sizer3)
256	vbox.Fit(self)
257	self.SetSizer(vbox)
258
259
260	def check_inputs(self):
261	"""Check validity user inputs"""
262	flag = True
263
264	if check_float(self.density_ctl):
265	self.density = float(self.density_ctl.GetValue())
266	else:
267	flag = False
268	raise ValueError,"Error for Density value :expect float"
269
270	self.wavelength = self.wavelength_ctl.GetValue()
271	if self.wavelength.lstrip().rstrip() == "":
272	self.wavelength = self.calculator.wavelength
273	else:
274	if check_float(self.wavelength_ctl):
275	self.wavelength = float(self.wavelength)
276	else:
277	flag = False
278	raise ValueError,"Error for wavelenth value :expect float"
279
280	self.formulata_text = self.compound_ctl.GetValue().lstrip().rstrip()
281	if self.formulata_text != "":
282	self.compound_ctl.SetBackgroundColour(wx.WHITE)
283	self.compound_ctl.Refresh()
284	else:
285	self.compound_ctl.SetBackgroundColour("pink")
286	self.compound_ctl.Refresh()
287	flag = False
288	raise ValueError, "Enter a formula"
289	return flag
290
291	def calculateSld(self, event):
292	"""
293	Calculate the neutron scattering density length of a molecule
294	"""
295	try:
296	#Check validity user inputs
297	if self.check_inputs():
298	#get ready to compute
299	try:
300	self.calculator.set_value(self.formulata_text,
301	self.density, self.wavelength)
302	except:
303	if self.base is not None:
304	msg = "SLD Calculator: %s" %(sys.exc_value)
305	wx.PostEvent(self.base, StatusEvent(status=msg))
306	else:
307	raise
308	return
309
310	# Compute the Cu SLD
311	Cu_reel, Cu_im = self.calculator.calculate_xray_sld( "Cu")
312	self.cu_ka_sld_reel_ctl.SetValue(format_number(Cu_reel *_SCALE))
313	self.cu_ka_sld_im_ctl.SetValue(format_number(Cu_im * _SCALE))
314
315	# Compute the Mo SLD
316	Mo_reel, Mo_im = self.calculator.calculate_xray_sld( "Mo")
317	self.mo_ka_sld_reel_ctl.SetValue(format_number(Mo_reel *_SCALE))
318	self.mo_ka_sld_im_ctl.SetValue(format_number(Mo_im * _SCALE))
319
320	sld_real, sld_im, inc = self.calculator.calculate_neutron_sld()
321	length = self.calculator.calculate_length()
322	# Neutron SLD
323	#need to be compute by element package
324	absorp = 1.0
325	length = 1.0
326	self.neutron_sld_reel_ctl.SetValue(format_number(sld_real * _SCALE))
327	self.neutron_sld_im_ctl.SetValue(format_number(sld_im * _SCALE))
328	self.neutron_inc_ctl.SetValue(format_number(inc))
329	self.neutron_abs_ctl.SetValue(format_number(absorp))
330	# Neutron length
331	self.neutron_length_ctl.SetValue(format_number(length))
332	# display wavelength
333	self.wavelength_ctl.SetValue(str(self.wavelength))
334	except:
335	if self.base is not None:
336	msg = "SLD Calculator: %s"%(sys.exc_value)
337	wx.PostEvent(self.base, StatusEvent(status=msg))
338	else:
339	raise
340	return
341
342
343
344
345
346
347
348
349
350	class SldWindow(wx.Frame):
351	def __init__(self, parent=None, id=1, title="SLD Calculator",base=None):
352	wx.Frame.__init__(self, parent, id, title, size=( PANEL_SIZE, PANEL_SIZE))
353
354	self.panel = SldPanel(self, base=base)
355	self.Centre()
356	self.Show(True)
357
358	class ViewApp(wx.App):
359	def OnInit(self):
360	frame = SldWindow(None, -1, 'SLD Calculator')
361	frame.Show(True)
362	self.SetTopWindow(frame)
363
364	return True
365
366
367	if __name__ == "__main__":
368	app = ViewApp(0)
369	app.MainLoop()

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source: sasview/calculatorview/perspectives/calculator/sld_panel.py @ d84a90c

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