density_panel.py @ 14e1ff0

ESS_GUIESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_opencl

Last change on this file since 14e1ff0 was fa81e94, checked in by Piotr Rozyczko <rozyczko@…>, 7 years ago
Initial commit of the P(r) inversion perspective. Code merged from Jeff Krzywon's ESS_GUI_Pr branch. Also, minor 2to3 mods to sascalc/sasgui to enble error free setup.
Property mode set to `100755`
File size: 16.0 KB

Line
1	"""
2	This module provide GUI for the mass density calculator
3
4	"""
5	import wx
6	import sys
7	from sas.sasgui.guiframe.panel_base import PanelBase
8	from wx.lib.scrolledpanel import ScrolledPanel
9	from sas.sasgui.guiframe.utils import check_float
10	from sas.sasgui.guiframe.events import StatusEvent
11	from periodictable import formula as Formula
12	from sas.sasgui.perspectives.calculator import calculator_widgets as widget
13	from sas.sasgui.guiframe.documentation_window import DocumentationWindow
14
15	AVOGADRO = 6.02214129e23
16	_INPUTS = ['Mass Density', 'Molar Volume']
17	_UNITS = ['g/cm^(3) ', 'cm^(3)/mol ']
18	#Density panel size
19	if sys.platform.count("win32") > 0:
20	PANEL_TOP = 0
21	_STATICBOX_WIDTH = 410
22	_BOX_WIDTH = 200
23	PANEL_SIZE = 440
24	FONT_VARIANT = 0
25	else:
26	PANEL_TOP = 60
27	_STATICBOX_WIDTH = 430
28	_BOX_WIDTH = 200
29	PANEL_SIZE = 460
30	FONT_VARIANT = 1
31
32	class DensityPanel(ScrolledPanel, PanelBase):
33	"""
34	Provides the mass density calculator GUI.
35	"""
36	## Internal nickname for the window, used by the AUI manager
37	window_name = "Mass Density Calculator"
38	## Name to appear on the window title bar
39	window_caption = "Mass Density Calculator"
40	## Flag to tell the AUI manager to put this panel in the center pane
41	CENTER_PANE = True
42
43	def __init__(self, parent, base=None, args, *kwds):
44	"""
45	"""
46	ScrolledPanel.__init__(self, parent, args, *kwds)
47	PanelBase.__init__(self)
48	self.SetupScrolling()
49	#Font size
50	self.SetWindowVariant(variant=FONT_VARIANT)
51	# Object that receive status event
52	self.base = base
53	self.parent = parent
54	# chemeical formula, string
55	self.compound = ''
56	# value of the density/volume, float
57	self.input = None
58	# text controls
59	self.compound_ctl = None
60	self.input_ctl = None
61	self.molar_mass_ctl = None
62	self.output_ctl = None
63	self.ctr_color = self.GetBackgroundColour()
64	# button
65	self.button_calculate = None
66	# list
67	self._input_list = _INPUTS
68	self._input = self._input_list[1]
69	self._output = self._input_list[0]
70	self._unit_list = _UNITS
71	#Draw the panel
72	self._do_layout()
73	self.SetAutoLayout(True)
74	self.Layout()
75
76	def _do_layout(self):
77	"""
78	Draw window content
79	"""
80	# units
81	unit_density = self._unit_list[0]
82	unit_volume = self._unit_list[1]
83
84	# sizers
85	sizer_input = wx.GridBagSizer(5, 5)
86	sizer_output = wx.GridBagSizer(5, 5)
87	sizer_button = wx.BoxSizer(wx.HORIZONTAL)
88	self.sizer1 = wx.BoxSizer(wx.HORIZONTAL)
89	self.sizer2 = wx.BoxSizer(wx.HORIZONTAL)
90	sizer3 = wx.BoxSizer(wx.HORIZONTAL)
91	vbox = wx.BoxSizer(wx.VERTICAL)
92
93	# inputs
94	inputbox = wx.StaticBox(self, -1, "Inputs")
95	boxsizer1 = wx.StaticBoxSizer(inputbox, wx.VERTICAL)
96	boxsizer1.SetMinSize((_STATICBOX_WIDTH, -1))
97	compound_txt = wx.StaticText(self, -1, 'Molecular Formula ')
98	self.compound_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, -1))
99	self.compound_eg1 = wx.StaticText(self, -1, ' e.g., H2O')
100	self.compound_eg2 = wx.StaticText(self, -1, 'e.g., D2O')
101	self.input_cb = wx.ComboBox(self, -1, style=wx.CB_READONLY)
102	wx.EVT_COMBOBOX(self.input_cb, -1, self.on_select_input)
103	hint_input_name_txt = 'Mass or volume.'
104	self.input_cb.SetToolTipString(hint_input_name_txt)
105	unit_density1 = " " + unit_density
106	self.input_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, -1))
107	self.unit_input_density = wx.StaticText(self, -1, unit_density1)
108	self.unit_input_volume = wx.StaticText(self, -1, unit_volume)
109	iy = 0
110	ix = 0
111	sizer_input.Add(compound_txt, (iy, ix), (1, 1),
112	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
113	ix += 1
114	sizer_input.Add(self.compound_ctl, (iy, ix), (1, 1),
115	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
116	ix += 1
117	sizer_input.Add(self.compound_eg1, (iy, ix), (1, 1),
118	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
119
120	ix += 1
121	sizer_input.Add(self.compound_eg2, (iy, ix), (1, 1),
122	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
123	self.compound_eg1.Show(False)
124	iy += 1
125	ix = 0
126	sizer_input.Add(self.input_cb, (iy, ix), (1, 1),
127	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
128	ix += 1
129	sizer_input.Add(self.input_ctl, (iy, ix), (1, 1),
130	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
131	ix += 1
132	sizer_input.Add(self.unit_input_density, (iy, ix), (1, 1),
133	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
134	ix += 1
135	self.unit_input_density.Show(False)
136	sizer_input.Add(self.unit_input_volume, (iy, ix), (1, 1),
137	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
138	boxsizer1.Add(sizer_input)
139	self.sizer1.Add(boxsizer1, 0, wx.EXPAND \| wx.ALL, 10)
140
141	# outputs
142	outputbox = wx.StaticBox(self, -1, "Outputs")
143	boxsizer2 = wx.StaticBoxSizer(outputbox, wx.VERTICAL)
144	boxsizer2.SetMinSize((_STATICBOX_WIDTH, -1))
145
146	molar_mass_txt = wx.StaticText(self, -1, 'Molar Mass ')
147	self.molar_mass_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, -1))
148	self.molar_mass_ctl.SetEditable(False)
149	self.molar_mass_ctl.SetBackgroundColour(self.ctr_color)
150	self.molar_mass_unit1 = wx.StaticText(self, -1, ' g/mol')
151	self.molar_mass_unit2 = wx.StaticText(self, -1, 'g/mol')
152
153	self.output_cb = wx.ComboBox(self, -1, style=wx.CB_READONLY)
154	wx.EVT_COMBOBOX(self.output_cb, -1, self.on_select_output)
155	hint_output_name_txt = 'Mass or volume.'
156	self.output_cb.SetToolTipString(hint_output_name_txt)
157	list = []
158	for item in self._input_list:
159	name = str(item)
160	list.append(name)
161	list.sort()
162	for idx in range(len(list)):
163	self.input_cb.Append(list[idx], idx)
164	self.output_cb.Append(list[idx], idx)
165	self.input_cb.SetStringSelection("Molar Volume")
166	self.output_cb.SetStringSelection("Mass Density")
167	unit_volume = " " + unit_volume
168	self.output_ctl = wx.TextCtrl(self, -1, size=(_BOX_WIDTH, -1))
169	self.output_ctl.SetEditable(False)
170	self.output_ctl.SetBackgroundColour(self.ctr_color)
171	self.unit_output_density = wx.StaticText(self, -1, unit_density)
172	self.unit_output_volume = wx.StaticText(self, -1, unit_volume)
173	iy = 0
174	ix = 0
175	sizer_output.Add(molar_mass_txt, (iy, ix), (1, 1),
176	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
177	ix += 1
178	sizer_output.Add(self.molar_mass_ctl, (iy, ix), (1, 1),
179	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
180	ix += 1
181	sizer_output.Add(self.molar_mass_unit1, (iy, ix), (1, 1),
182	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
183	ix += 1
184	sizer_output.Add(self.molar_mass_unit2, (iy, ix), (1, 1),
185	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
186	self.molar_mass_unit1.Show(False)
187	iy += 1
188	ix = 0
189	sizer_output.Add(self.output_cb, (iy, ix), (1, 1),
190	wx.LEFT \| wx.EXPAND \| wx.ADJUST_MINSIZE, 15)
191	ix += 1
192	sizer_output.Add(self.output_ctl, (iy, ix), (1, 1),
193	wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
194	ix += 1
195	sizer_output.Add(self.unit_output_volume,
196	(iy, ix), (1, 1), wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
197	ix += 1
198	sizer_output.Add(self.unit_output_density,
199	(iy, ix), (1, 1), wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
200
201	self.unit_output_volume.Show(False)
202	boxsizer2.Add(sizer_output)
203	self.sizer2.Add(boxsizer2, 0, wx.EXPAND \| wx.ALL, 10)
204
205	# buttons
206	id = wx.NewId()
207	self.button_calculate = wx.Button(self, id, "Calculate")
208	self.button_calculate.SetToolTipString("Calculate.")
209	self.Bind(wx.EVT_BUTTON, self.calculate, id=id)
210
211	id = wx.NewId()
212	self.button_help = wx.Button(self, id, "HELP")
213	self.button_help.SetToolTipString("Help for density calculator.")
214	self.Bind(wx.EVT_BUTTON, self.on_help, id=id)
215
216	self.button_close = wx.Button(self, wx.ID_CANCEL, 'Close')
217	self.button_close.Bind(wx.EVT_BUTTON, self.on_close)
218	self.button_close.SetToolTipString("Close this window.")
219
220	sizer_button.Add((100, 20), 1, wx.EXPAND \| wx.ADJUST_MINSIZE, 0)
221	sizer_button.Add(self.button_calculate, 0,
222	wx.RIGHT \| wx.ADJUST_MINSIZE, 20)
223	sizer_button.Add(self.button_help, 0,
224	wx.RIGHT \| wx.ADJUST_MINSIZE, 20)
225	sizer_button.Add(self.button_close, 0,
226	wx.RIGHT \| wx.ADJUST_MINSIZE, 20)
227	sizer3.Add(sizer_button)
228
229	# layout
230	vbox.Add(self.sizer1)
231	vbox.Add(self.sizer2)
232	vbox.Add(sizer3)
233	vbox.Fit(self)
234	self.SetSizer(vbox)
235
236	def on_select_input(self, event):
237	"""
238	On selection of input combobox,
239	update units and output combobox
240	"""
241	if event is None:
242	return
243	event.Skip()
244
245	combo = event.GetEventObject()
246	self._input = combo.GetValue()
247	for name in self._input_list:
248	if self._input != name:
249	self._output = name
250	break
251
252	self.set_values()
253
254	def on_select_output(self, event):
255	"""
256	On selection of output combobox,
257	update units and input combobox
258	"""
259	if event is None:
260	return
261	event.Skip()
262
263	combo = event.GetEventObject()
264	self._output = combo.GetValue()
265	for name in self._input_list:
266	if self._output != name:
267	self._input = name
268	break
269
270	self.set_values()
271
272	def set_values(self):
273	"""
274	Sets units and combobox values
275	"""
276	input, output = self.get_input()
277	if input is None:
278	return
279	# input
280	self.input_cb.SetValue(str(input))
281	# output
282	self.output_cb.SetValue(str(output))
283	# unit
284	if self._input_list.index(input) == 0:
285	self.molar_mass_unit1.Show(True)
286	self.molar_mass_unit2.Show(False)
287	self.compound_eg1.Show(True)
288	self.compound_eg2.Show(False)
289	self.unit_input_density.Show(True)
290	self.unit_output_volume.Show(True)
291	self.unit_input_volume.Show(False)
292	self.unit_output_density.Show(False)
293	else:
294	self.molar_mass_unit1.Show(False)
295	self.molar_mass_unit2.Show(True)
296	self.compound_eg1.Show(False)
297	self.compound_eg2.Show(True)
298	self.unit_input_volume.Show(True)
299	self.unit_output_density.Show(True)
300	self.unit_input_density.Show(False)
301	self.unit_output_volume.Show(False)
302	# layout
303	self.clear_outputs()
304	self.sizer1.Layout()
305	self.sizer2.Layout()
306
307	def get_input(self):
308	"""
309	Return the current input and output combobox values
310	"""
311	return self._input, self._output
312
313	def check_inputs(self):
314	"""
315	Check validity user inputs
316	"""
317	flag = True
318	msg = ""
319	if check_float(self.input_ctl):
320	self.input = float(self.input_ctl.GetValue())
321	else:
322	flag = False
323	input_type = str(self.input_cb.GetValue())
324	msg += "Error for %s value :expect float" % input_type
325
326	self.compound = self.compound_ctl.GetValue().lstrip().rstrip()
327	if self.compound != "":
328	try :
329	Formula(self.compound)
330	self.compound_ctl.SetBackgroundColour(wx.WHITE)
331	self.compound_ctl.Refresh()
332	except:
333	self.compound_ctl.SetBackgroundColour("pink")
334	self.compound_ctl.Refresh()
335	flag = False
336	msg += "Enter correct formula"
337	else:
338	self.compound_ctl.SetBackgroundColour("pink")
339	self.compound_ctl.Refresh()
340	flag = False
341	msg += "Enter Formula"
342	return flag, msg
343
344
345	def calculate(self, event):
346	"""
347	Calculate the mass Density/molar Volume of the molecules
348	"""
349	self.clear_outputs()
350	try:
351	#Check validity user inputs
352	flag, msg = self.check_inputs()
353	if self.base is not None and msg.lstrip().rstrip() != "":
354	msg = "Density/Volume Calculator: %s" % str(msg)
355	wx.PostEvent(self.base, StatusEvent(status=msg))
356	if not flag:
357	return
358	#get ready to compute
359	mol_formula = Formula(self.compound)
360	molar_mass = float(mol_formula.molecular_mass) * AVOGADRO
361	output = self._format_number(molar_mass / self.input)
362	self.molar_mass_ctl.SetValue(str(self._format_number(molar_mass)))
363	self.output_ctl.SetValue(str(output))
364	except:
365	if self.base is not None:
366	msg = "Density/Volume Calculator: %s" % (sys.exc_info()[1])
367	wx.PostEvent(self.base, StatusEvent(status=msg))
368	if event is not None:
369	event.Skip()
370
371	def on_help(self, event):
372	"""
373	Bring up the density/volume calculator Documentation whenever
374	the HELP button is clicked.
375
376	Calls DocumentationWindow with the path of the location within the
377	documentation tree (after /doc/ ....". Note that when using old
378	versions of Wx (before 2.9) and thus not the release version of
379	installers, the help comes up at the top level of the file as
380	webbrowser does not pass anything past the # to the browser when it is
381	running "file:///...."
382
383	:param evt: Triggers on clicking the help button
384	"""
385
386	_TreeLocation = "user/sasgui/perspectives/calculator/"
387	_TreeLocation += "density_calculator_help.html"
388	_doc_viewer = DocumentationWindow(self, -1, _TreeLocation, "",
389	"Density/Volume Calculator Help")
390
391	def on_close(self, event):
392	"""
393	close the window containing this panel
394	"""
395	self.parent.Close()
396
397	def clear_outputs(self):
398	"""
399	Clear the outputs textctrl
400	"""
401	self.molar_mass_ctl.SetValue("")
402	self.output_ctl.SetValue("")
403
404	def _format_number(self, value=None):
405	"""
406	Return a float in a standardized, human-readable formatted string
407	"""
408	try:
409	value = float(value)
410	except:
411	output = ''
412	return output
413
414	output = "%-12.5f" % value
415	return output.lstrip().rstrip()
416
417	class DensityWindow(widget.CHILD_FRAME):
418	"""
419	"""
420	def __init__(self, parent=None, title="Density/Volume Calculator",
421	base=None, manager=None,
422	size=(PANEL_SIZE * 1.05, PANEL_SIZE / 1.55), args, *kwds):
423	"""
424	"""
425	kwds['title'] = title
426	kwds['size'] = size
427	widget.CHILD_FRAME.__init__(self, parent, args, *kwds)
428	"""
429	"""
430	self.manager = manager
431	self.panel = DensityPanel(self, base=base)
432	self.Bind(wx.EVT_CLOSE, self.on_close)
433	self.SetPosition((wx.LEFT, PANEL_TOP))
434	self.Show(True)
435
436	def on_close(self, event):
437	"""
438	On close event
439	"""
440	if self.manager is not None:
441	self.manager.cal_md_frame = None
442	self.Destroy()
443
444
445	class ViewApp(wx.App):
446	"""
447	"""
448	def OnInit(self):
449	"""
450	"""
451	widget.CHILD_FRAME = wx.Frame
452	frame = DensityWindow(None, title="Density/Volume Calculator")
453	frame.Show(True)
454	self.SetTopWindow(frame)
455	return True
456
457
458	if __name__ == "__main__":
459	app = ViewApp(0)
460	app.MainLoop()

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source: sasview/src/sas/sasgui/perspectives/calculator/density_panel.py @ 14e1ff0

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