def on_read_initial_file(self):
a = P4Rm()
b = ReadFile()
if (os.path.exists(a.PathDict['DW_file']) and
os.path.exists(a.PathDict['Strain_file']) and
os.path.exists(a.PathDict['XRD_file'])) is True:
try:
"""READING DW FILE"""
b.read_dw_file(a.PathDict['DW_file'])
"""READING Strain FILE"""
b.read_strain_file(a.PathDict['Strain_file'])
"""READING XRD FILE"""
b.read_xrd_file(a.PathDict['XRD_file'])
self.on_calc_from_xrd()
P4Rm.ParamDictbackup['dwp'] = a.ParamDict['dwp']
P4Rm.ParamDictbackup['sp'] = a.ParamDict['sp']
P4Rm.ParamDict['sp_abrupt'] = a.ParamDict['sp']
P4Rm.ParamDict['dwp_abrupt'] = a.ParamDict['dwp']
P4Rm.ParamDict['sp_smooth'] = a.ParamDict['sp']
P4Rm.ParamDict['dwp_smooth'] = a.ParamDict['dwp']
except TypeError:
logger.log(logging.WARNING, "!Please check your input file!")
else:
return True
else:
msg_ = "Please, check that the input files really exists"
dlg = GMD.GenericMessageDialog(None, msg_,
"Attention", agwStyle=wx.OK |
wx.ICON_INFORMATION)
dlg.ShowModal()
return False
def calc_XRD(self, paths):
"""
Loading and extracting of XRD data file with no default extension,
but needed a two columns format file
"""
b = ReadFile()
P4Rm.DefaultDict['XRD_folder'] = os.path.split(paths[0])[0]
P4Rm.PathDict['XRD_file'] = paths[0]
self.on_update_config_file('XRD_folder')
try:
"""READING XRD FILE"""
b.read_xrd_file(paths[0])
self.on_calc_from_xrd()
pub.sendMessage(pubsub_Draw_XRD, b=1)
except TypeError:
logger.log(logging.WARNING, "!Please check your input file!")
def calc_XRD(self, paths):
"""
Loading and extracting of XRD data file with no default extension,
but needed a two columns format file
"""
b = ReadFile()
P4Rm.DefaultDict['XRD_folder'] = os.path.split(paths[0])[0]
P4Rm.PathDict['XRD_file'] = paths[0]
self.on_update_config_file('XRD_folder')
try:
"""READING XRD FILE"""
b.read_xrd_file(paths[0])
self.on_calc_from_xrd()
pub.sendMessage(pubsub_Draw_XRD, b=1)
except TypeError:
logger.log(logging.WARNING, "!Please check your input file!")
def on_load_project(self, paths):
a = P4Rm()
b = ReadFile()
b.on_read_init_parameters(paths, p4R.ExperimentFile)
datafromini = b.read_result_value()
self.on_reset_deformation_multiplication()
self.on_init_dictionnaries()
P4Rm.ProjectFileData = datafromini[5:]
i = 0
for k in p4R.Exp_file_all_section:
if k in p4R.Exp_read_only:
P4Rm.AllDataDict[k] = float(datafromini[i])
else:
P4Rm.AllDataDict[k] = datafromini[i]
i += 1
i = 0
for name in ['Compound_name', 'substrate_name', 'DW_file',
'Strain_file', 'XRD_file']:
P4Rm.PathDict[name] = datafromini[i]
i += 1
P4Rm.DefaultDict['project_folder'] = os.path.split(paths)[0]
P4Rm.PathDict['path2ini'] = os.path.split(paths)[0]
P4Rm.PathDict['path2inicomplete'] = paths
P4Rm.PathDict['namefromini'] = os.path.splitext(
os.path.basename(paths))[0]
self.on_update_config_file('project_folder')
if a.ProjectFileData == []:
msg_ = ("Please, pay attention to your input files," +
"there are some mistakes in the data")
dlg = GMD.GenericMessageDialog(None, msg_, "Attention",
agwStyle=wx.OK |
wx.ICON_INFORMATION)
dlg.ShowModal()
else:
P4Rm.PathDict['project_name'] = os.path.splitext(
os.path.basename(paths))[0]
success = self.on_read_initial_file()
if success:
self.on_load_and_read_data()
def on_read_initial_file(self):
a = P4Rm()
b = ReadFile()
if (os.path.exists(a.PathDict['DW_file']) and
os.path.exists(a.PathDict['Strain_file']) and
os.path.exists(a.PathDict['XRD_file'])) is True:
try:
"""READING DW FILE"""
b.read_dw_file(a.PathDict['DW_file'])
"""READING Strain FILE"""
b.read_strain_file(a.PathDict['Strain_file'])
"""READING XRD FILE"""
b.read_xrd_file(a.PathDict['XRD_file'])
self.on_calc_from_xrd()
P4Rm.ParamDictbackup['dwp'] = a.ParamDict['dwp']
P4Rm.ParamDictbackup['sp'] = a.ParamDict['sp']
P4Rm.ParamDict['sp_abrupt'] = a.ParamDict['sp']
P4Rm.ParamDict['dwp_abrupt'] = a.ParamDict['dwp']
P4Rm.ParamDict['sp_smooth'] = a.ParamDict['sp']
P4Rm.ParamDict['dwp_smooth'] = a.ParamDict['dwp']
except TypeError:
logger.log(logging.WARNING, "!Please check your input file!")
else:
return True
else:
msg_ = "Please, check that the input files really exists"
dlg = GMD.GenericMessageDialog(None, msg_,
"Attention", agwStyle=wx.OK |
wx.ICON_INFORMATION)
dlg.ShowModal()
return False
def on_load_project(self, paths):
a = P4Rm()
b = ReadFile()
b.on_read_init_parameters(paths, p4R.ExperimentFile)
datafromini = b.read_result_value()
self.on_reset_deformation_multiplication()
self.on_init_dictionnaries()
P4Rm.ProjectFileData = datafromini[5:]
i = 0
for k in p4R.Exp_file_all_section:
if k in p4R.Exp_read_only:
P4Rm.AllDataDict[k] = float(datafromini[i])
else:
P4Rm.AllDataDict[k] = datafromini[i]
i += 1
i = 0
for name in ['Compound_name', 'substrate_name', 'DW_file',
'Strain_file', 'XRD_file']:
P4Rm.PathDict[name] = datafromini[i]
i += 1
P4Rm.DefaultDict['project_folder'] = os.path.split(paths)[0]
P4Rm.PathDict['path2ini'] = os.path.split(paths)[0]
P4Rm.PathDict['path2inicomplete'] = paths
P4Rm.PathDict['namefromini'] = os.path.splitext(
os.path.basename(paths))[0]
self.on_update_config_file('project_folder')
if a.ProjectFileData == []:
msg_ = ("Please, pay attention to your input files," +
"there are some mistakes in the data")
dlg = GMD.GenericMessageDialog(None, msg_, "Attention",
agwStyle=wx.OK |
wx.ICON_INFORMATION)
dlg.ShowModal()
else:
P4Rm.PathDict['project_name'] = os.path.splitext(
os.path.basename(paths))[0]
success = self.on_read_initial_file()
if success:
self.on_load_and_read_data()
def calc_DW(self, paths=None, choice=None):
"""
Reading and calcul DW coefficient
"""
if paths:
P4Rm.DefaultDict['DW_folder'] = os.path.split(paths[0])[0]
self.on_update_config_file('DW_folder')
a = P4Rm()
b = ReadFile()
c = SaveFile4Diff()
spline_DW = a.spline_DW
if choice == 0:
data = b.read_dw_xy_file(paths[0])
if spline_DW == 2:
t = data[0].max()
P4Rm.ParamDict['t_l'] = t/a.AllDataDict['number_slices']
P4Rm.ParamDict['z'] = (arange(a.AllDataDict['number_slices'] +
1) * a.ParamDict['t_l'])
P4Rm.ParamDict['depth'] = t - a.ParamDict['z']
else:
t = a.AllDataDict['damaged_depth']
P4Rm.ParamDict['dwp'] = fit_input_DW(data,
a.AllDataDict['dw_basis_func'],
a.AllDataDict['damaged_depth'],
spline_DW)
else:
t = a.AllDataDict['damaged_depth']
P4Rm.ParamDictbackup['dwp'] = a.ParamDict['dwp']
P4Rm.ParamDict['dw_basis'] = float(a.AllDataDict['strain_basis_func'])
P4Rm.ParamDict['DW_i'] = f_strain(a.ParamDict['z'],
a.ParamDict['dwp'],
t, spline_DW)
self.on_shifted_dwp_curves(t)
P4Rm.from_calc_DW = 1
self.draw_curves()
if choice == 0:
c.save_deformation('DW_file', 'DW', a.ParamDict['dwp'])
def calc_DW(self, paths=None, choice=None):
"""
Reading and calcul DW coefficient
"""
if paths:
P4Rm.DefaultDict['DW_folder'] = os.path.split(paths[0])[0]
self.on_update_config_file('DW_folder')
a = P4Rm()
b = ReadFile()
c = SaveFile4Diff()
spline_DW = a.spline_DW
if choice == 0:
data = b.read_dw_xy_file(paths[0])
if spline_DW == 2:
t = data[0].max()
P4Rm.ParamDict['t_l'] = t/a.AllDataDict['number_slices']
P4Rm.ParamDict['z'] = (arange(a.AllDataDict['number_slices'] +
1) * a.ParamDict['t_l'])
P4Rm.ParamDict['depth'] = t - a.ParamDict['z']
else:
t = a.AllDataDict['damaged_depth']
P4Rm.ParamDict['dwp'] = fit_input_DW(data,
a.AllDataDict['dw_basis_func'],
a.AllDataDict['damaged_depth'],
spline_DW)
else:
t = a.AllDataDict['damaged_depth']
P4Rm.ParamDictbackup['dwp'] = a.ParamDict['dwp']
P4Rm.ParamDict['dw_basis'] = float(a.AllDataDict['strain_basis_func'])
P4Rm.ParamDict['DW_i'] = f_strain(a.ParamDict['z'],
a.ParamDict['dwp'],
t, spline_DW)
self.on_shifted_dwp_curves(t)
P4Rm.from_calc_DW = 1
self.draw_curves()
if choice == 0:
c.save_deformation('DW_file', 'DW', a.ParamDict['dwp'])
def __init__(self, parent):
pos = wx.DefaultPosition
screen_size = wx.GetDisplaySize()
if screen_size[1] <= 1000:
size = (1000, 900)
else:
size = (1180, 1035)
no_resize = wx.DEFAULT_FRAME_STYLE
wx.Frame.__init__(self, None, wx.ID_ANY, p4R.Application_name,
pos, size, style=no_resize)
wx.Frame.CenterOnScreen(self)
self.Bind(wx.EVT_CLOSE, self.on_close)
# self.Bind(wx.EVT_SIZE, self.on_size)
self.locale = wx.Locale(wx.LANGUAGE_ENGLISH)
self.sb = wx.StatusBar(self, -1)
self.sb.SetFieldsCount(3)
self.SetStatusBar(self.sb)
self.SetStatusWidths([-4, -1, -1])
self.SetIcon(prog_icon.GetIcon())
self.m_menubar = wx.MenuBar()
self.NewP_ID = wx.ID_NEW
self.LoadP_ID = wx.NewId()
self.Load_XRD_ID = wx.NewId()
self.Load_Strain_ID = wx.NewId()
self.Load_DW_ID = wx.NewId()
self.Export_data_ID = wx.NewId()
self.Save_ID = wx.NewId()
self.SaveP_ID = wx.NewId()
self.log_ID = wx.NewId()
self.paramoption_ID = wx.NewId()
self.spdwpvalues_ID = wx.NewId()
self.fitreport_ID = wx.NewId()
self.colorwindow_ID = wx.NewId()
self.Update = wx.NewId()
self.Reloadini = wx.NewId()
self.About = wx.NewId()
self.Exit = wx.NewId()
"""File menu"""
self.m_menufile = wx.Menu()
self.m_menunewproject = wx.MenuItem(self.m_menufile, self.NewP_ID,
u"New Project" + u"\t" + u"Ctrl+N",
u"Begin a new project",
wx.ITEM_NORMAL)
self.m_menunewproject.SetBitmap(NewP24.GetBitmap())
self.m_menuload = wx.MenuItem(self.m_menufile, self.LoadP_ID,
u"Load Project" + u"\t" + u"Ctrl+O",
u"Load .ini file", wx.ITEM_NORMAL)
self.m_menuload.SetBitmap(LoadP24.GetBitmap())
self.m_menuloadXRD = wx.MenuItem(self.m_menufile, self.Load_XRD_ID,
u"Import XRD data" + u"\t" + u"Alt-O",
u"Import XRD data file",
wx.ITEM_NORMAL)
self.m_menuloadStrain = wx.MenuItem(self.m_menufile,
self.Load_Strain_ID,
u"Import Strain", wx.EmptyString,
wx.ITEM_NORMAL)
self.m_menuloadDW = wx.MenuItem(self.m_menufile, self.Load_DW_ID,
u"Import DW", wx.EmptyString,
wx.ITEM_NORMAL)
self.m_menuexportData = wx.MenuItem(self.m_menufile,
self.Export_data_ID,
u"Export Strain - DW - XRD fit",
wx.EmptyString, wx.ITEM_NORMAL)
self.m_menusave = wx.MenuItem(self.m_menufile, self.Save_ID, u"Save" +
u"\t" + u"Ctrl+S", wx.EmptyString,
wx.ITEM_NORMAL)
self.m_menusave.SetBitmap(saveP24.GetBitmap())
self.m_menusaveas = wx.MenuItem(self.m_menufile, self.SaveP_ID,
u"Save As" + u"\t" + u"Ctrl-Shift+S",
wx.EmptyString, wx.ITEM_NORMAL)
self.m_menusaveas.SetBitmap(saveasP24.GetBitmap())
self.m_menuexit = wx.MenuItem(self.m_menufile, self.Exit, u"Exit" +
u"\t" + u"Alt-X", wx.EmptyString,
wx.ITEM_NORMAL)
self.m_menuexit.SetBitmap(shutdown24.GetBitmap())
self.m_menubar.Append(self.m_menufile, u"&File")
"""Option menu"""
self.m_menuoptions = wx.Menu()
self.m_menubar.Append(self.m_menuoptions, u"O&ptions")
self.m_menulog = wx.MenuItem(self.m_menuoptions, self.log_ID,
u"Log file", u"Open log file",
wx.ITEM_NORMAL)
self.m_menulog.SetBitmap(logP32.GetBitmap())
text_ = u"Open Color and style graph window"
self.m_menucolor = wx.MenuItem(self.m_menuoptions, self.colorwindow_ID,
u"Graph Style", text_,
wx.ITEM_NORMAL)
self.HideShowDatabase = wx.NewId()
self.m_menuhide_show_database = wx.MenuItem(self.m_menufile,
self.HideShowDatabase,
u"Use Database",
wx.EmptyString,
wx.ITEM_CHECK)
"""Fit menu"""
self.m_menufit = wx.Menu()
self.m_menubar.Append(self.m_menufit, u"F&it")
self.m_menu_fit = wx.MenuItem(self.m_menufit, self.paramoption_ID,
u"Fitting options",
u"Open Parameters window",
wx.ITEM_NORMAL)
self.m_menu_strain_dw = wx.MenuItem(self.m_menufit,
self.spdwpvalues_ID,
(u"Strain and DW Values" +
u"\t" + u"Ctrl+G"),
u"Open Strain & DW Values window",
wx.ITEM_NORMAL)
self.m_menu_report_fit = wx.MenuItem(self.m_menufit, self.fitreport_ID,
(u"Fitting report" +
u"\t" + u"Ctrl+R"),
u"Open Lmfit report window",
wx.ITEM_NORMAL)
"""About menu"""
self.m_menuhelp = wx.Menu()
self.m_menuabout = wx.MenuItem(self.m_menuhelp, self.About, u"About." +
u"\t" + u"Alt-L", wx.EmptyString,
wx.ITEM_NORMAL)
self.m_menuabout.SetBitmap(About_icon_24.GetBitmap())
self.m_menubar.Append(self.m_menuhelp, u"&Help")
if 'phoenix' in wx.PlatformInfo:
self.m_menufile.Append(self.m_menunewproject)
self.m_menufile.Append(self.m_menuload)
self.m_menufile.AppendSeparator()
self.m_menufile.Append(self.m_menuloadXRD)
self.m_menufile.Append(self.m_menuloadStrain)
self.m_menufile.Append(self.m_menuloadDW)
self.m_menufile.AppendSeparator()
self.m_menufile.Append(self.m_menuexportData)
self.m_menufile.AppendSeparator()
self.m_menufile.Append(self.m_menusave)
self.m_menufile.Append(self.m_menusaveas)
self.m_menufile.Append(self.m_menuexit)
self.m_menuoptions.Append(self.m_menulog)
self.m_menuoptions.Append(self.m_menuhide_show_database)
self.m_menuoptions.Append(self.m_menucolor)
self.m_menufit.Append(self.m_menu_fit)
self.m_menufit.Append(self.m_menu_strain_dw)
self.m_menufit.Append(self.m_menu_report_fit)
self.m_menuhelp.Append(self.m_menuabout)
else:
self.m_menufile.AppendItem(self.m_menunewproject)
self.m_menufile.AppendItem(self.m_menuload)
self.m_menufile.AppendSeparator()
self.m_menufile.AppendItem(self.m_menuloadXRD)
self.m_menufile.AppendItem(self.m_menuloadStrain)
self.m_menufile.AppendItem(self.m_menuloadDW)
self.m_menufile.AppendSeparator()
self.m_menufile.AppendItem(self.m_menuexportData)
self.m_menufile.AppendSeparator()
self.m_menufile.AppendItem(self.m_menusave)
self.m_menufile.AppendItem(self.m_menusaveas)
self.m_menufile.AppendItem(self.m_menuexit)
self.m_menuoptions.AppendItem(self.m_menulog)
self.m_menuoptions.AppendItem(self.m_menuhide_show_database)
self.m_menuoptions.AppendItem(self.m_menucolor)
self.m_menufit.AppendItem(self.m_menu_fit)
self.m_menufit.AppendItem(self.m_menu_strain_dw)
self.m_menufit.AppendItem(self.m_menu_report_fit)
self.m_menuhelp.AppendItem(self.m_menuabout)
self.SetMenuBar(self.m_menubar)
self.Bind(wx.EVT_MENU, self.set_menu_all)
self.Bind(wx.EVT_MENU, self.on_close, id=self.Exit)
self.Bind(wx.EVT_MENU, self.on_about_box, id=self.About)
# ----------------------------------------------------------------------
# Definition of shortcut used in RaDMax:
# ctrl+U emulate the update button
# ctrl+I reload the last open project
self.accel_tbl = wx.AcceleratorTable([(wx.ACCEL_CTRL, ord('U'),
self.Update),
(wx.ACCEL_CTRL, ord('I'),
self.Reloadini)])
self.SetAcceleratorTable(self.accel_tbl)
self.frame_Fit_Param_window = None
self.frame_Fit_Report_window = None
self.frame_GSA_window = None
self.frame_color_window = None
self.frame_data_coef_window = None
self.Fit_Param_window_launch = 0
self.Fit_Report_window_launch = 0
self.GSA_window_launch = 0
self.color_window_launch = 0
self.data_coef_window_launch = 0
try:
import lmfit
vers = lmfit.__version__
if LooseVersion(vers) < LooseVersion("0.9.0"):
print("\nYou are using Lmfit version number %s" % vers)
print("To run, RaDMaX needs Lmfit version 0.9.0 or higher")
print("Please, install a new Lmfit version to be able" +
" to use it with RaDMaX")
print("Lmfit will not be used in this session\n")
P4Rm.lmfit_install = False
else:
print ("Lmfit: %s" % (lmfit.__version__))
P4Rm.lmfit_install = True
except ImportError:
print ("\nLmfit module is recommanded but not mandatory")
pub.subscribe(self.on_change_title,
pubsub_ChangeFrameTitle)
pub.subscribe(self.on_activate_import,
pubsub_Activate_Import)
pub.subscribe(self.on_display_option_window,
pubsub_Hide_Show_Option)
pub.subscribe(self.on_display_GSA_window,
pubsub_Hide_Show_GSA)
pub.subscribe(self.on_display_Color_window,
pubsub_Hide_Show_Color)
pub.subscribe(self.on_display_fit_report_window,
pubsub_Hide_Show_FitReport)
pub.subscribe(self.on_display_data_coef_window,
pubsub_Hide_Show_data_coef)
pub.subscribe(self.on_save,
pubsub_save_from_DB)
pub.subscribe(self.on_save_before_fit,
pubsub_save_project_before_fit)
pub.subscribe(self.on_add_damaged,
pubsub_add_damaged_before_fit)
from Read4Radmax import ReadFile
b = ReadFile()
b.on_read_init_parameters(os.path.join(p4R.current_dir,
p4R.filename + '.ini'),
p4R.RadmaxFile)
config_File_extraction = b.read_result_value()
i = 2
a = P4Rm()
for k, v in a.DefaultDict.items():
P4Rm.DefaultDict[k] = config_File_extraction[i]
i += 1
for k, v in p4R.FitParamDefault.items():
if k == 'maxfev':
P4Rm.DefaultDict[k] = int(float(a.DefaultDict[k]))
elif k in p4R.s_radmax_7:
P4Rm.DefaultDict[k] = a.DefaultDict[k]
elif k in p4R.s_radmax_8:
if a.DefaultDict[k] == 'True':
P4Rm.DefaultDict[k] = True
else:
P4Rm.DefaultDict[k] = False
else:
P4Rm.DefaultDict[k] = float(a.DefaultDict[k])
if os.listdir(p4R.structures_name):
P4Rm.crystal_list = sorted(list(os.listdir(p4R.structures_name)))
if a.DefaultDict['use_database']:
self.m_menuhide_show_database.Check(True)
else:
self.m_menuhide_show_database.Check(False)
load_random_voice = randint(0, 3)
Sound_Launcher(self, 2, load_random_voice)
MainPanel(self, self.sb)
self.Show()
