#!/usr/bin/env python # Copyright (c) 2014-2015, András Wacha # All rights reserved. # # This software including the files in this directory is provided under # the following license. # # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the following conditions # are met: # 1. Redistributions of source code must retain the above copyright # notice, this list of conditions and the following disclaimer. # 2. Redistributions in binary form must reproduce the above copyright # notice, this list of conditions and the following disclaimer in the # documentation and/or other materials provided with the distribution. # # THIS SOFTWARE IS PROVIDED BY THE AUTHOR ``AS IS'' AND # ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE # IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE # ARE DISCLAIMED. IN NO EVENT SHALL THE AUTHOR BE LIABLE # FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL # DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS # OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) # HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT # LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY # OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF # SUCH DAMAGE. import itertools import collections import sys _PY2 = sys.version_info.major == 2 if _PY2: import Tkinter as tkinter import ttk as _ttk tkinter.ttk = _ttk import tkFont as _tkFont tkinter.font = _tkFont import tkMessageBox as _tkMessageBox tkinter.messagebox = _tkMessageBox else: import tkinter import tkinter.ttk import tkinter.font import tkinter.messagebox import math import numpy as np import matplotlib.figure import threading import queue import time import warnings if _PY2: from backports import configparser else: import configparser import os import matplotlib matplotlib.use('TkAgg') matplotlib.rcParams['savefig.dpi'] = 600 import matplotlib.backends.backend_tkagg try: import pyperclip except ImportError: warnings.warn('Cannot import pyperclip, exporting to HTML won\'t work.') def all_possible_selections(set_): for r in range(1, len(set_) + 1): for c in sorted(set(itertools.combinations(set_, r))): yield c return class PinholeConfiguration(object): def __init__(self, L1, L2, D1, D2, ls, lbs, sd, mindist_l1=0, mindist_l2=0, sealringwidth=0, wavelength=0.15418): self.l1_elements = L1 self.l2_elements = L2 self.mindist_l1 = mindist_l1 self.mindist_l2 = mindist_l2 self.sealringwidth = sealringwidth self.r1 = D1 * 0.5e-3 self.r2 = D2 * 0.5e-3 self.ls = ls self.lbs = lbs self.sd = sd self.wavelength = wavelength def __copy__(self): return PinholeConfiguration( self.l1_elements, self.l2_elements, self.D1, self.D2, self. ls, self.lbs, self.sd, self.mindist_l1, self.mindist_l2, self.sealringwidth, self.wavelength) copy = __copy__ @property def l1(self): if isinstance(self.l1_elements, collections.Iterable): return float(sum(self.l1_elements) + self.sealringwidth * (1 + len(self.l1_elements)) + self.mindist_l1) else: return self.l1_elements @l1.setter def l1(self, value): self.l1_elements = value @property def l2(self): if isinstance(self.l2_elements, collections.Iterable): return float(sum(self.l2_elements) + self.sealringwidth * (1 + len(self.l2_elements)) + self.mindist_l2) else: return self.l2_elements @l2.setter def l2(self, value): self.l2_elements = value @property def D1(self): return 2000 * self.r1 @D1.setter def D1(self, value): self.r1 = value * 0.5e-3 @property def D2(self): return 2000 * self.r2 @D2.setter def D2(self, value): self.r2 = value * 0.5e-3 @property def D3(self): return 2000 * self.r3 @property def Dsample_direct(self): return 2 * self.rs_direct @property def Dsample_parasitic(self): return 2 * self.rs_parasitic Dsample = Dsample_direct @property def Dbs_parasitic(self): return 2 * self.rbs_parasitic @property def Dbs_direct(self): return 2 * self.rbs_direct Dbs = Dbs_parasitic @property def Ddet_parasitic(self): return 2 * self.rdet_parasitic @property def Ddet_direct(self): return 2 * self.rdet_direct Ddet = Ddet_parasitic @property def l3(self): return self.sd + self.ls @property def r3(self): return self.r2 + (self.r1 + self.r2) * self.l2 / self.l1 @property def rs_direct(self): return self.r2 + (self.r1 + self.r2) * (self.l2 + self.ls) / self.l1 @property def rs_parasitic(self): return self.r3 + (self.r2 + self.r3) * (self.ls / self.l2) rs = rs_direct @property def rbs_direct(self): return (self.r2 + (self.r1 + self.r2) * (self.l2 + self. l3 - self.lbs) / self.l1) @property def rbs_parasitic(self): return ((self.r2 + self.r3) * (self.l2 + self.l3 - self.lbs) / self.l2 - self.r2) rbs = rbs_parasitic @property def rdet_direct(self): return (self.r2 + (self.r1 + self.r2) * (self.l2 + self. l3) / self.l1) @property def rdet_parasitic(self): return ((self.r2 + self.r3) * (self.l2 + self.l3) / self.l2 - self.r2) rdet = rdet_parasitic @property def tantthmin(self): return (self.rbs / (self.sd - self.lbs)) @property def qmin(self): return (4 * math.pi * math.sin(0.5 * math.atan(self.tantthmin)) / self.wavelength) @property def dmax(self): return 2 * math.pi / self.qmin @property def intensity(self): return self.D1**2 * self.D2**2 / self.l1**2 / 64 * math.pi @property def alpha(self): return math.atan2((self.r2 + self.r1), self.l1) @property def dspheremax(self): return (5 / 3.)**0.5 * 2 * self.Rgmin @property def Rgmin(self): return 1 / self.qmin def __str__(self): return 'l1: %.2f mm; l2: %.2f mm; D1: %.0f um; D2: %.0f um;\ D3: %.0f um; I: %.2f; qmin: %.5f 1/nm' % (self.l1, self.l2, self.D1, self.D2, self.D3, self.intensity, self.qmin) @property def dominant_constraint(self): lambda1 = (self.ls + self.l2) / self.l1 lambda0 = (self.l2 / self.l1) rho = self.rs / self.rbs d_SsBS = ( (2 * lambda1 * (lambda1 + 1) - rho * (lambda0 + lambda1 + 2 * lambda0 * lambda1)) / (rho * (lambda0 + 2 * lambda1 + 2 * lambda0 * lambda1)) * self.l2 + self.lbs - self.ls) Discr = 4 * rho**2 * lambda0**2 + rho * \ (4 * lambda0**2 - 8 * lambda0 * lambda1) + \ (lambda0 + 2 * lambda1 + 2 * lambda0 * lambda1)**2 lam2plus = ((2 * lambda1 + lambda0 + 2 * lambda0 * lambda1 - 6 * rho * lambda0 - 4 * rho * lambda0**2 + Discr**0.5) / (8 * rho * lambda0 + 4 * rho * lambda0**2)) d_BSsSplus = lam2plus * self.l2 + self.lbs - self.ls if self.sd < d_SsBS: return 'sample' elif self.sd < d_BSsSplus: return 'beamstop' else: return 'neither' class ListboxWithScroll(tkinter.ttk.Frame): """This is a listbox with the following functionality: - working horizontal and vertical scrollbars - entry row at the top for adding new items - buttons on the right for adding, ordering, removing items """ def __init__(self, *args, **kwargs): tkinter.ttk.Frame.__init__(self, *args, **kwargs) self._entry = tkinter.ttk.Entry(master=self) self._entry.grid(row=0, column=0, columnspan=2, sticky=tkinter.NSEW) self._button_add = tkinter.ttk.Button( master=self, text='Add', command=self.do_add) self._button_add.grid(row=0, column=2, sticky=tkinter.NSEW) self._listbox = tkinter.Listbox( master=self, height=0, selectmode=tkinter.EXTENDED) self._listbox.grid(row=1, column=0, sticky=tkinter.NSEW) self._xscroll = tkinter.ttk.Scrollbar(master=self, orient=tkinter.HORIZONTAL, command=self._listbox.xview) self._xscroll.grid( row=2, column=0, sticky=tkinter.S + tkinter.E + tkinter.W) self._listbox['xscrollcommand'] = self._xscroll.set self._yscroll = tkinter.ttk.Scrollbar(master=self, orient=tkinter.VERTICAL, command=self._listbox.yview) self._yscroll.grid( row=1, column=1, sticky=tkinter.N + tkinter.S + tkinter.E) self._listbox['yscrollcommand'] = self._yscroll.set self._buttonbox = tkinter.ttk.Frame(master=self) self._buttonbox.grid(row=1, column=2, rowspan=2, sticky=tkinter.NSEW) self._buttons = {} for label, cmd in [('Remove', self.do_remove), ('Clear', self.do_clear), ('To top', self.do_movetotop), ('Up', self.do_moveup), ('Down', self.do_movedown), ('To bottom', self.do_movetobottom)]: self._buttons[label] = tkinter.ttk.Button( master=self._buttonbox, text=label, command=cmd) self._buttons[label].grid(sticky=tkinter.NW) self.grid_columnconfigure(0, weight=1) self.grid_rowconfigure(1, weight=1) def do_movetotop(self): try: idx = self.curselection()[0] except IndexError: return value = self.get(idx) self.delete(idx) self.insert(0, value) self.selection_set(0) def do_movetobottom(self): try: idx = self.curselection()[0] except IndexError: return value = self.get(idx) self.delete(idx) self.insert(tkinter.END, value) self.selection_set(tkinter.END) def do_moveup(self): try: idx = self.curselection()[0] except IndexError: return if idx == 0: return value = self.get(idx) self.delete(idx) self.insert(idx - 1, value) self.selection_set(idx - 1) def do_movedown(self): try: idx = self.curselection()[0] except IndexError: return value = self.get(idx) self.delete(idx) self.insert(idx + 1, value) self.selection_set(min(idx + 1, self.size() - 1)) def do_add(self): try: idx = self.curselection()[0] except IndexError: idx = tkinter.END self.insert(idx, self._entry.get()) def do_remove(self): try: while True: self.delete(self.curselection()[0]) except IndexError: pass def do_clear(self): self.delete(0, tkinter.END) def insert(self, *args, **kwargs): return self._listbox.insert(*args, **kwargs) def activate(self, *args, **kwargs): return self._listbox.activate(*args, **kwargs) def bbox(self, *args, **kwargs): return self._listbox.bbox(*args, **kwargs) def curselection(self): return self._listbox.curselection() def delete(self, *args, **kwargs): return self._listbox.delete(*args, **kwargs) def get(self, *args, **kwargs): return self._listbox.get(*args, **kwargs) def index(self, *args, **kwargs): return self._listbox.get(*args, **kwargs) def selection_set(self, *args, **kwargs): return self._listbox.selection_set(*args, **kwargs) def size(self): return self._listbox.size() class SearchFrame(tkinter.ttk.Frame): def __init__(self, appframe, *args, **kwargs): tkinter.ttk.Frame.__init__(self, *args, **kwargs) self._optimum = None self._appframe = appframe def execute(self): pass def get_optimum(self): return self._optimum def set_optimum(self, phconf): raise NotImplementedError def save_defaults(self): raise NotImplementedError class BruteForceSearchFrame(SearchFrame): def __init__(self, *args, **kwargs): SearchFrame.__init__(self, *args, **kwargs) f1 = tkinter.ttk.Frame(master=self) f1.pack(side=tkinter.LEFT, fill=tkinter.BOTH, expand=True) f1.grid_columnconfigure(1, weight=1) f1.grid_rowconfigure(0, weight=1) row = 0 lf = tkinter.ttk.LabelFrame(master=f1, text='Distance elements (mm):') lf.grid(row=row, column=0, columnspan=2, sticky=tkinter.NSEW) self._distelements = ListboxWithScroll(master=lf) self._distelements.grid(sticky=tkinter.NSEW) for i in [float(x.strip()) for x in CONFIG['L_elements'].split(',')]: self._distelements.insert(tkinter.END, i) lf.grid_columnconfigure(0, weight=1) lf.grid_rowconfigure(0, weight=1) row += 1 l = tkinter.ttk.Label(master=f1, text='Sealing ring width (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._sealringwidth = tkinter.Spinbox( master=f1, from_=0, to=50, increment=0.1) self._sealringwidth.delete(0, tkinter.END) self._sealringwidth.insert(0, CONFIG['sealring']) self._sealringwidth.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=f1, text='L1 without spacers (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._mindist_l1 = tkinter.Spinbox(master=f1) self._mindist_l1.delete(0, tkinter.END) self._mindist_l1.insert(0, CONFIG['L1_bare']) self._mindist_l1.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=f1, text='L2 without spacers (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._mindist_l2 = tkinter.Spinbox(master=f1) self._mindist_l2.delete(0, tkinter.END) self._mindist_l2.insert(0, CONFIG['L2_bare']) self._mindist_l2.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=f1, text='Det-beamstop dist. (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._lbs = tkinter.Spinbox(master=f1) self._lbs.delete(0, tkinter.END) self._lbs.insert(0, CONFIG['lbs']) self._lbs.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=f1, text='PH#3-sample dist. (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._ls = tkinter.Spinbox(master=f1) self._ls.delete(0, tkinter.END) self._ls.insert(0, CONFIG['ls']) self._ls.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=f1, text='Sample-det. dist. (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._sd = tkinter.Spinbox(master=f1) self._sd.delete(0, tkinter.END) self._sd.insert(0, CONFIG['SD']) self._sd.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=f1, text='Wavelength (nm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._wavelength = tkinter.Spinbox(master=f1) self._wavelength.delete(0, tkinter.END) self._wavelength.insert(0, CONFIG['wavelength']) self._wavelength.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 lf = tkinter.ttk.LabelFrame(master=f1, text='Search criteria:') lf.grid(row=row, column=0, columnspan=2, sticky=tkinter.NSEW) row_inner = 0 lf1 = tkinter.ttk.LabelFrame(master=lf, text='Sample diameter:') lf1.pack(side=tkinter.TOP, fill=tkinter.BOTH, expand=True) lf1.rowconfigure(0, weight=1) lf1.rowconfigure(1, weight=1) lf1.columnconfigure(1, weight=1) row_inner1 = 0 l = tkinter.ttk.Label(master=lf1, text='Minimum (mm):') l.grid(row=row_inner1, column=0, sticky=tkinter.NSEW) self._dsamplemin = tkinter.Spinbox( master=lf1, from_=0, to=1000, increment=0.1) self._dsamplemin.delete(0, tkinter.END) self._dsamplemin.insert(0, CONFIG['dsample_minimum']) self._dsamplemin.grid(row=row_inner1, column=1, sticky=tkinter.NSEW) row_inner1 += 1 l = tkinter.ttk.Label(master=lf1, text='Maximum (mm):') l.grid(row=row_inner1, column=0, sticky=tkinter.NSEW) self._dsamplemax = tkinter.Spinbox( master=lf1, from_=0, to=100, increment=0.1) self._dsamplemax.delete(0, tkinter.END) self._dsamplemax.insert(0, CONFIG['dsample_maximum']) self._dsamplemax.grid( row=row_inner1, column=1, sticky=tkinter.NSEW) row_inner += 1 lf1 = tkinter.ttk.LabelFrame(master=lf, text='Beamstop diameter:') lf1.pack(side=tkinter.TOP, fill=tkinter.BOTH, expand=True) lf1.grid_rowconfigure(0, weight=1) lf1.grid_rowconfigure(1, weight=1) lf1.grid_columnconfigure(1, weight=1) row_inner1 = 0 l = tkinter.ttk.Label(master=lf1, text='Minimum (mm):') l.grid(row=row_inner1, column=0, sticky=tkinter.NSEW) self._dbsmin = tkinter.Spinbox( master=lf1, from_=0, to=1000, increment=0.1) self._dbsmin.delete(0, tkinter.END) self._dbsmin.insert(0, CONFIG['dbs_minimum']) self._dbsmin.grid(row=row_inner1, column=1, sticky=tkinter.NSEW) row_inner1 += 1 l = tkinter.ttk.Label(master=lf1, text='Maximum (mm):') l.grid(row=row_inner1, column=0, sticky=tkinter.NSEW) self._dbsmax = tkinter.Spinbox( master=lf1, from_=0, to=100, increment=0.1) self._dbsmax.delete(0, tkinter.END) self._dbsmax.insert(0, CONFIG['dbs_maximum']) self._dbsmax.grid(row=row_inner1, column=1, sticky=tkinter.NSEW) f2 = tkinter.ttk.Frame(master=self) f2.pack(side=tkinter.LEFT, fill=tkinter.BOTH, expand=True) f2.grid_columnconfigure(0, weight=1) f2.grid_rowconfigure(0, weight=1) f2.grid_rowconfigure(1, weight=1) row = 0 lf = tkinter.ttk.LabelFrame(master=f2, text='PH#1 diameters (um):') lf.grid(row=row, column=0, sticky=tkinter.NSEW) self._PH1choices = ListboxWithScroll(master=lf) self._PH1choices.grid(sticky=tkinter.NSEW) for d in [float(x.strip()) for x in CONFIG['D1_choices'].split(',')]: self._PH1choices.insert(tkinter.END, d) lf.grid_columnconfigure(0, weight=1) lf.grid_rowconfigure(0, weight=1) row += 1 lf = tkinter.ttk.LabelFrame(master=f2, text='PH#2 diameters (um):') lf.grid(row=row, column=0, sticky=tkinter.NSEW) self._PH2choices = ListboxWithScroll(master=lf) self._PH2choices.grid(sticky=tkinter.NSEW) for d in [float(x.strip()) for x in CONFIG['D2_choices'].split(',')]: self._PH2choices.insert(tkinter.END, d) lf.grid_columnconfigure(0, weight=1) lf.grid_rowconfigure(0, weight=1) self.pack_propagate(True) def execute(self): dsamplemin = float(self._dsamplemin.get()) dsamplemax = float(self._dsamplemax.get()) dbsmin = float(self._dbsmin.get()) dbsmax = float(self._dbsmax.get()) dsample = 0.5 * (dsamplemin + dsamplemax) dbs = 0.5 * (dbsmin + dbsmax) dsampletolerance = abs(dsamplemax - dsamplemin) * 0.5 dbstolerance = abs(dbsmax - dbsmin) * 0.5 wavelength = float(self._wavelength.get()) criteria = [('Sample diameter', lambda pc:(abs(pc.Dsample - dsample) <= dsampletolerance)), ('Beamstop diameter', lambda pc:abs( pc.Dbs - dbs) <= dbstolerance), ] mindist_l1 = float(self._mindist_l1.get()) mindist_l2 = float(self._mindist_l2.get()) sealringwidth = float(self._sealringwidth.get()) found = [] criteria_failed = {critname: 0 for critname, critfunc in criteria} allpossiblesetups = 0 L_elements = [float(x) for x in self._distelements.get(0, tkinter.END)] sd = float(self._sd.get()) ls = float(self._ls.get()) pinholes_stage1 = [float(x) for x in self._PH1choices.get(0, tkinter.END)] pinholes_stage2 = [float(x) for x in self._PH2choices.get(0, tkinter.END)] lbs = float(self._lbs.get()) for c1 in all_possible_selections(L_elements): list2 = L_elements[:] for e in c1: list2.remove(e) for c2 in all_possible_selections(list2): c1 = tuple(sorted(c1)) c2 = tuple(sorted(c2)) if bool([f for f in found if f.l1_elements == c1 and f.l2_elements == c2]): continue for D1 in pinholes_stage1: for D2 in pinholes_stage2: pc = PinholeConfiguration(c1, c2, D1, D2, ls, lbs, sd, mindist_l1, mindist_l2, sealringwidth, wavelength) criteria_results = { critname: critfunc(pc) for critname, critfunc in criteria} for k in criteria_failed: criteria_failed[k] += int(not criteria_results[k]) if all(criteria_results.values()): found.append(pc) allpossiblesetups += 1 toplevel = tkinter.Toplevel(master=self) toplevel.wm_title('Results of brute-force search') f = BruteForceResultsFrame(appframe=self._appframe, master=toplevel) f.pack(side=tkinter.TOP, fill=tkinter.BOTH, expand=True) for pc in found: f.add(pc) f.redraw() self._optimum = next(reversed( sorted(found, key=lambda pc: pc.intensity))) def set_optimum(self, phconf): pass def save_defaults(self): CONFIG['dsample_minimum'] = self._dsamplemin.get() CONFIG['dsample_maximum'] = self._dsamplemax.get() CONFIG['dbs_minimum'] = self._dbsmin.get() CONFIG['dbs_maximum'] = self._dbsmax.get() CONFIG['L1_bare'] = self._mindist_l1.get() CONFIG['L2_bare'] = self._mindist_l2.get() CONFIG['sealring'] = self._sealringwidth.get() CONFIG['L_elements'] = ', '.join( str(x) for x in self._distelements.get(0, tkinter.END)) CONFIG['SD'] = self._sd.get() CONFIG['wavelength'] = self._wavelength.get() CONFIG['ls'] = self._ls.get() CONFIG['D1_choices'] = ', '.join( str(x) for x in self._PH1choices.get(0, tkinter.END)) CONFIG['D2_choices'] = ', '.join( str(x) for x in self._PH2choices.get(0, tkinter.END)) CONFIG['lbs'] = self._lbs.get() class BruteForceResultsFrame(tkinter.ttk.Frame): _columns = [('L1 (mm)', 'l1', 0), ('L2 (mm)', 'l2', 0), ('L1 parts', 'l1_elements', 0), ('L2 parts', 'l2_elements', 0), ('S-D dist (mm)', 'sd', 2), ('PH#1 (um)', 'D1', 0), ('PH#2 (um)', 'D2', 0), ('alpha (rad)', 'alpha', 5), ('Sample diam. (mm)', 'Dsample', 3), ('BS diam. (mm)', 'Dbs', 3), ('qmin (1/nm)', 'qmin', 5), ('dmax (nm)', 'dmax', 1), ('Max. sphere diam. (nm)', 'dspheremax', 1), ('PH#3 (um)', 'D3', 0), ('Intensity (um^4/mm^2)', 'intensity', 2), ('Dominant constraint', 'dominant_constraint', None), ] def __init__(self, appframe, *args, **kwargs): self._sortkey = 'intensity' self._sortdescending = True tkinter.ttk.Frame.__init__(self, *args, **kwargs) self._appframe = appframe self._treeview = tkinter.ttk.Treeview(master=self, selectmode=tkinter.EXTENDED, show=['headings'], displaycolumns='#all', columns=[c[1] for c in self._columns]) for heading, c, digits in self._columns: self._treeview.heading( c, text=heading, anchor=tkinter.CENTER, command=lambda c=c: self._heading_clicked(c)) self._treeview.column( c, anchor=tkinter.W, minwidth=10, width=10) self._treeview.grid(sticky=tkinter.NSEW) self._xscroll = tkinter.ttk.Scrollbar(master=self, orient=tkinter.HORIZONTAL, command=self._treeview.xview) self._xscroll.grid(row=1, column=0, sticky=tkinter.NSEW) self._yscroll = tkinter.ttk.Scrollbar(master=self, orient=tkinter.VERTICAL, command=self._treeview.yview) self._yscroll.grid(row=0, column=1, sticky=tkinter.NSEW) self._treeview['xscrollcommand'] = self._xscroll.set self._treeview['yscrollcommand'] = self._yscroll.set self._treeview.tag_configure('regularrow', font='TkTextFont') self.grid_rowconfigure(0, weight=1) self.grid_columnconfigure(0, weight=1) self._pinholeconfigs = [] self._formatted_strings = [] font = tkinter.font.Font(font='TkHeadingFont') self._columnwidths = { k: font.measure(self._treeview.heading(k, 'text')) for k in self._treeview['columns']} f = tkinter.ttk.Frame(master=self) f.grid(columnspan=2, sticky=tkinter.NSEW) b = tkinter.ttk.Button(master=f, text='Select all', command=self.select_all) b.pack(side=tkinter.LEFT) b = tkinter.ttk.Button(master=f, text='Deselect all', command=self.deselect_all) b.pack(side=tkinter.LEFT) b = tkinter.ttk.Button(master=f, text='Copy as HTML', command=self.copy_as_html) b.pack(side=tkinter.LEFT) b = tkinter.ttk.Button(master=f, text='Store selected as optimum', command=self.save_as_optimum) b.pack(side=tkinter.LEFT) b = tkinter.ttk.Button(master=f, text='Close window', command=lambda: ( self.winfo_toplevel().destroy())) b.pack(side=tkinter.LEFT) def select_all(self): self._treeview.selection_set(self._treeview.get_children()) def deselect_all(self): self._treeview.selection_remove(self._treeview.get_children()) def copy_as_html(self): txt = '\n \ \n \n' for col in self._treeview['columns']: print(col) txt += (' \n' % self._treeview.heading(col)['text']) txt += ' \n \n \n' for item in self._treeview.selection(): txt += ' \n' for v in self._treeview.item(item)['values']: txt += ' \n' % str(v) txt += ' \n' txt += ' \n
%s
%s
' pyperclip.copy(txt) def save_as_optimum(self): try: item = self._treeview.selection()[0] except IndexError: return self._appframe._optimum = self._pinholeconfigs[ self._treeview.index(item)] def add(self, pc): self._pinholeconfigs.append(pc) self._formatted_strings.append( [_format_text(getattr(pc, col), digs) for c, col, digs in self._columns]) self._columnwidths_changed=True def _recalculate_columnwidths(self): font = tkinter.font.Font(font='TkTextFont') for fs, col in zip( self._formatted_strings[-1], self._treeview['columns']): wid = font.measure(fs) if self._columnwidths[col] < wid: self._columnwidths[col] = wid def redraw(self): self._redraw_sorted() def _heading_clicked(self, columnid): if self._sortkey == columnid: self._sortdescending = not self._sortdescending else: self._sortkey = columnid self._sortdescending = False self._redraw_sorted() def _redraw_sorted(self): if hasattr(self, '_columnwidths_changed'): self._recalculate_columnwidths() del self._columnwidths_changed for item in self._treeview.get_children(): self._treeview.delete(item) pinholeconfigs_sorted = [] formatted_strings_sorted = [] for f, fs in sorted(zip(self._pinholeconfigs, self._formatted_strings), key=lambda pcfs: getattr( pcfs[0], self._sortkey) * (-1)**int(self._sortdescending)): self._treeview.insert('', tkinter.END, values=fs, tags=['regularrow']) pinholeconfigs_sorted.append(f) formatted_strings_sorted.append(fs) self._pinholeconfigs = pinholeconfigs_sorted self._formatted_strings = formatted_strings_sorted for col in self._treeview['columns']: self._treeview.column( col, width=self._columnwidths[col] + 5, #minwidth=self._columnwidths[col] + 5, stretch=False) def _format_text(value, digits): if digits is None: return str(value) try: text = ' + '.join('%%.%df' % digits % i for i in value) except TypeError: text = '%%.%df' % digits % value return text class FixedApertureSearchFrame(SearchFrame): def __init__(self, *args, **kwargs): SearchFrame.__init__(self, *args, **kwargs) frame = tkinter.ttk.Frame(master=self) frame.pack(side=tkinter.TOP, fill=tkinter.X, expand=False) lf = tkinter.ttk.LabelFrame(master=frame, text='Distances & apertures') lf.pack(side=tkinter.LEFT, fill=tkinter.BOTH, expand=True) lf.columnconfigure(1, weight=1) row = 0 l = tkinter.ttk.Label(master=lf, text='PH#1 aperture (um):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._d1 = tkinter.Spinbox(master=lf, from_=0, to=500000) self._d1.delete(0, tkinter.END) self._d1.insert(0, CONFIG['D1']) self._d1.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=lf, text='PH#2 aperture (um):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._d2 = tkinter.Spinbox(master=lf, from_=0, to=500000) self._d2.delete(0, tkinter.END) self._d2.insert(0, CONFIG['D2']) self._d2.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=lf, text='PH#3-sample distance (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._ls = tkinter.Spinbox(master=lf, from_=0, to=500000) self._ls.delete(0, tkinter.END) self._ls.insert(0, CONFIG['ls']) self._ls.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label( master=lf, text='Detector-beamstop distance (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._lbs = tkinter.Spinbox(master=lf, from_=0, to=500000) self._lbs.delete(0, tkinter.END) self._lbs.insert(0, CONFIG['lbs']) self._lbs.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 lf = tkinter.ttk.LabelFrame(master=frame, text='Criteria') lf.pack(side=tkinter.LEFT, fill=tkinter.BOTH, expand=True) lf.columnconfigure(1, weight=1) row = 0 l = tkinter.ttk.Label(master=lf, text='Sample diameter (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._dsample = tkinter.Spinbox(master=lf, from_=0, to=500000) self._dsample.delete(0, tkinter.END) self._dsample.insert(0, CONFIG['dsample']) self._dsample.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=lf, text='Beamstop diameter (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._dbs = tkinter.Spinbox(master=lf, from_=0, to=500000) self._dbs.delete(0, tkinter.END) self._dbs.insert(0, CONFIG['dbs']) self._dbs.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=lf, text='Sample-detector dist. (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._sd = tkinter.Spinbox(master=lf, from_=0, to=500000) self._sd.delete(0, tkinter.END) self._sd.insert(0, CONFIG['SD']) self._sd.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=lf, text='Wavelength (nm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._wavelength = tkinter.Spinbox(master=lf, from_=0, to=500000) self._wavelength.delete(0, tkinter.END) self._wavelength.insert(0, CONFIG['wavelength']) self._wavelength.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 self._figure = matplotlib.figure.Figure(figsize=(1, 1), dpi=100) self._canvas = matplotlib.backends.backend_tkagg.FigureCanvasTkAgg( self._figure, master=self, resize_callback=lambda event: ( (self._figure.set_figheight( event.height / self._figure.get_dpi()), self._figure.set_figwidth( event.width / self._figure.get_dpi())), self._canvas.draw_idle())) self._canvas.show() self._canvas.get_tk_widget().pack( side=tkinter.TOP, fill=tkinter.BOTH, expand=True) self._toolbar = \ matplotlib.backends.backend_tkagg.NavigationToolbar2TkAgg( self._canvas, self) self._toolbar.update() self._optimum = None def set_optimum(self, phconf): for entry, attr in [('d1', 'D1'), ('d2', 'D2'), ('ls', 'ls'), ('lbs', 'lbs'), ('sd', 'sd'), ('wavelength', 'wavelength')]: ent = getattr(self, '_' + entry) ent.delete(0, tkinter.END) ent.insert(0, str(getattr(phconf, attr))) self._optimum = phconf def execute(self): rs = 0.5 * float(self._dsample.get()) rbs = 0.5 * float(self._dbs.get()) r1 = 0.5e-3 * float(self._d1.get()) r2 = 0.5e-3 * float(self._d2.get()) ls = float(self._ls.get()) lbs = float(self._lbs.get()) sd = float(self._sd.get()) wavelength = float(self._wavelength.get()) if rs <= r2: raise ValueError('Pinhole #2 must be smaller than the sample') if rbs <= r2: raise ValueError('Pinhole #2 must be smaller than the beamstop') l3 = sd + ls l3prime = l3 - lbs if l3prime < 0: raise ValueError('The beamstop is before the sample') A = rbs - rs B = - (l3prime * r2 - ls * rbs + ls * r2 + l3prime * rs) C = - 2 * r2 * ls * l3prime l2opt = (-B + (B**2 - 4 * A * C)**0.5) / (2 * A) l1opt = (r1 + r2) * (l2opt + ls) / (rs - r2) self._optimum = PinholeConfiguration( l1opt, l2opt, r1 * 2000, r2 * 2000, ls, lbs, sd, 0, 0, 0, wavelength) l2min = 2 * r2 * l3prime / (rbs - r2) l2_ = np.linspace(l2min, 3 * self._optimum.l2, 100)[1:] l1_bs = ((r1 + r2) * (l2_ + l3prime) / (rbs - r2 * (1 + 2 * l3prime / l2_))) l1_sample = (l2_ + ls) * (r1 + r2) / (rs - r2) l1_min = min(l1_bs.min(), l1_sample.min()) l1_max = self._optimum.l1 * 2 l1_ = np.linspace(l1_min, l1_max, 100) intensity_ = 1e12 * r1**2 * r2**2 / \ np.outer(np.ones_like(l2_), l1_)**2 * np.pi / 4 self._figure.clear() ax = self._figure.add_subplot(1, 1, 1) img = ax.imshow(intensity_, aspect='auto', cmap=matplotlib.cm.gray_r, origin='lower', extent=(l1_.min(), l1_.max(), l2_.min(), l2_.max())) self._figure.colorbar(img) ax.set_xlabel('$l_1\, (\mathrm{mm})$') ax.set_ylabel('$l_2\, (\mathrm{mm})$') lims = ax.axis() ax.plot(l1_sample, l2_, 'b-', label='Sample') ax.plot(l1_bs, l2_, 'r-', label='Beamstop') ax.fill_betweenx(l2_, l1_sample, l1_.max(), color='b', alpha=0.2) ax.fill_betweenx(l2_, l1_bs, l1_.max(), color='r', alpha=0.2) ax.plot([self._optimum.l1], [self._optimum.l2], 'wo', markersize=10) text = u"""\ Optimum l1: %.2f mm Optimum l2: %.2f mm l1+l2: %.2f mm Intensity: %.2f um^4/mm^2 D3: %.2f um qmin: %.5f 1/nm dmax: %.2f nm""" % (self._optimum.l1, self._optimum.l2, self._optimum.l1 + self._optimum.l2, self._optimum.intensity, self._optimum.D3, self._optimum.qmin, self._optimum.dmax) ax.text(0.01, 0.97, text, transform=ax.transAxes, ha='left', va='top', alpha=1, bbox={'boxstyle': 'round', 'alpha': 0.3, 'color': 'white'}, fontsize='xx-small') ax.legend(loc='best', fontsize='xx-small') ax.axis(lims) self._figure.tight_layout() self._canvas.show() def save_defaults(self): CONFIG['dsample'] = self._dsample.get() CONFIG['dbs'] = self._dbs.get() CONFIG['D1'] = self._d1.get() CONFIG['D2'] = self._d2.get() CONFIG['ls'] = self._ls.get() CONFIG['lbs'] = self._lbs.get() CONFIG['SD'] = self._sd.get() CONFIG['wavelength'] = self._wavelength.get() class FixedDistanceSearchFrame(SearchFrame): def __init__(self, *args, **kwargs): SearchFrame.__init__(self, *args, **kwargs) frame = tkinter.ttk.Frame(master=self) frame.pack(side=tkinter.TOP, fill=tkinter.X, expand=False) lf = tkinter.ttk.LabelFrame(master=frame, text='Distances') lf.pack(side=tkinter.LEFT, fill=tkinter.BOTH, expand=True) lf.columnconfigure(1, weight=1) row = 0 l = tkinter.ttk.Label(master=lf, text='PH#1-PH#2 distance (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._l1 = tkinter.Spinbox(master=lf, from_=0, to=500000) self._l1.delete(0, tkinter.END) self._l1.insert(0, CONFIG['L1']) self._l1.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=lf, text='PH#2-PH#3 distance (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._l2 = tkinter.Spinbox(master=lf, from_=0, to=500000) self._l2.delete(0, tkinter.END) self._l2.insert(0, CONFIG['L2']) self._l2.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=lf, text='PH#3-sample distance (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._ls = tkinter.Spinbox(master=lf, from_=0, to=500000) self._ls.delete(0, tkinter.END) self._ls.insert(0, CONFIG['ls']) self._ls.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label( master=lf, text='Detector-beamstop distance (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._lbs = tkinter.Spinbox(master=lf, from_=0, to=500000) self._lbs.delete(0, tkinter.END) self._lbs.insert(0, CONFIG['lbs']) self._lbs.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 lf = tkinter.ttk.LabelFrame(master=frame, text='Criteria') lf.pack(side=tkinter.LEFT, fill=tkinter.BOTH, expand=True) lf.columnconfigure(1, weight=1) row = 0 l = tkinter.ttk.Label(master=lf, text='Sample diameter (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._dsample = tkinter.Spinbox(master=lf, from_=0, to=500000) self._dsample.delete(0, tkinter.END) self._dsample.insert(0, CONFIG['dsample']) self._dsample.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=lf, text='Beamstop diameter (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._dbs = tkinter.Spinbox(master=lf, from_=0, to=500000) self._dbs.delete(0, tkinter.END) self._dbs.insert(0, CONFIG['dbs']) self._dbs.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=lf, text='Sample-detector dist. (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._sd = tkinter.Spinbox(master=lf, from_=0, to=500000) self._sd.delete(0, tkinter.END) self._sd.insert(0, CONFIG['SD']) self._sd.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=lf, text='Wavelength (nm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._wavelength = tkinter.Spinbox(master=lf, from_=0, to=500000) self._wavelength.delete(0, tkinter.END) self._wavelength.insert(0, CONFIG['wavelength']) self._wavelength.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 self._figure = matplotlib.figure.Figure(figsize=(1, 1), dpi=100) self._canvas = matplotlib.backends.backend_tkagg.FigureCanvasTkAgg( self._figure, master=self, resize_callback=lambda event: ( (self._figure.set_figheight( event.height / self._figure.get_dpi()), self._figure.set_figwidth( event.width / self._figure.get_dpi())), self._canvas.draw_idle())) self._canvas.show() self._canvas.get_tk_widget().pack( side=tkinter.TOP, fill=tkinter.BOTH, expand=True) self._toolbar = \ matplotlib.backends.backend_tkagg.NavigationToolbar2TkAgg( self._canvas, self) self._toolbar.update() self._optimum = None def set_optimum(self, phconf): for entry, attr in [('l1', 'l1'), ('l2', 'l2'), ('ls', 'ls'), ('lbs', 'lbs'), ('sd', 'sd'), ('wavelength', 'wavelength')]: ent = getattr(self, '_' + entry) ent.delete(0, tkinter.END) ent.insert(0, str(getattr(phconf, attr))) self._optimum = phconf def execute(self): l1 = float(self._l1.get()) l2 = float(self._l2.get()) ls = float(self._ls.get()) lbs = float(self._lbs.get()) rs = float(self._dsample.get()) * 0.5 rbs = float(self._dbs.get()) * 0.5 wavelength = float(self._wavelength.get()) sd = float(self._sd.get()) lambda1 = (ls + l2) / l1 lambda0 = (l2 / l1) lambda2 = (ls + sd - lbs) / l2 if lambda2*l2 < 0: raise ValueError('The beamstop is before the sample') A_s = rs B_s = lambda1 C_s = 1 + lambda1 A_bs = rbs B_bs = lambda0 * (1 + lambda2) C_bs = (1 + lambda0) * (1 + lambda2) + lambda2 r2max_s = A_s / C_s * 0.5 r1max_s = A_s / B_s * 0.5 r2max_bs = A_bs / C_bs * 0.5 r1max_bs = A_bs / B_bs * 0.5 S_satisfies_BS = (r2max_s <= (A_bs - B_bs * r1max_s) / C_bs) BS_satisfies_S = (r2max_bs <= (A_s - B_s * r1max_bs) / C_s) if S_satisfies_BS: r1opt = r1max_s r2opt = r2max_s strictercriterion = 'sample-limited' elif BS_satisfies_S: r1opt = r1max_bs r2opt = r2max_bs strictercriterion = 'beamstop-limited' else: r1opt = ((rs * ((1 + lambda0) * (1 + lambda2) + lambda2) - rbs * (1 + lambda1)) / ((lambda1 - lambda0) * (1 + lambda2) + lambda1 * lambda2)) r2opt = ((rbs * lambda1 - rs * lambda0 * (1 + lambda2)) / ((lambda1 - lambda0) * (1 + lambda2) + lambda1 * lambda2)) strictercriterion = 'transitory case' self._optimum = PinholeConfiguration( l1, l2, 2000 * r1opt, 2000 * r2opt, ls, lbs, sd, 0, 0, 0, wavelength) r1max = max(r1max_s, r1max_bs) r2max = max(r2max_s, r2max_bs) rho = rs / rbs d_SsBS = ( (2 * lambda1 * (lambda1 + 1) - rho * (lambda0 + lambda1 + 2 * lambda0 * lambda1)) / (rho * (lambda0 + 2 * lambda1 + 2 * lambda0 * lambda1)) * l2 + lbs - ls) Discr = 4 * rho**2 * lambda0**2 + rho * \ (4 * lambda0**2 - 8 * lambda0 * lambda1) + \ (lambda0 + 2 * lambda1 + 2 * lambda0 * lambda1)**2 # lam2minus = ((2 * lambda1 + lambda0 + 2 * lambda0 * lambda1 - # 6 * rho * lambda0 - 4 * rho * lambda0**2 - Discr**0.5) / # (8 * rho * lambda0 + 4 * rho * lambda0**2)) lam2plus = ((2 * lambda1 + lambda0 + 2 * lambda0 * lambda1 - 6 * rho * lambda0 - 4 * rho * lambda0**2 + Discr**0.5) / (8 * rho * lambda0 + 4 * rho * lambda0**2)) # d_BSsSminus = lam2minus * l2 + lbs - ls d_BSsSplus = lam2plus * l2 + lbs - ls r1_ = np.linspace(0, r1max * 1.5, 100) R1 = r1_[np.newaxis, :] r2_ = np.linspace(0, r2max * 1.5, 200) R2 = r2_[:, np.newaxis] intensity_ = 1e12 * R1**2 * R2**2 / l1**2 * \ np.pi / 4. # D1^2*D2^2/l1^2, in um^4/mm^2 units self._figure.clear() ax = self._figure.add_subplot(1, 1, 1) img = ax.imshow(intensity_, aspect='auto', cmap=matplotlib.cm.gray_r, origin='lower', extent=(2000 * R1.min(), 2000 * R1.max(), 2000 * R2.min(), 2000 * R2.max())) self._figure.colorbar(img) ax.set_xlabel('$d_1\, (\mu\mathrm{m})$') ax.set_ylabel('$d_2\, (\mu\mathrm{m})$') lims = ax.axis() ax.plot(r1_ * 2000, 2000 * (A_s - r1_ * B_s) / C_s, 'b-', lw=2, label='Sample') ax.fill_between( r1_ * 2000, 2000 * (A_s - r1_ * B_s) / C_s, color='b', alpha=0.2) ax.plot(r1_ * 2000, 2000 * (A_bs - r1_ * B_bs) / C_bs, 'r-', lw=2, label='Beamstop') ax.fill_between( r1_ * 2000, 2000 * (A_bs - r1_ * B_bs) / C_bs, color='r', alpha=0.2) ax.plot([r1max_s * 2000], [r2max_s * 2000], 'bo', markersize=10) ax.plot([r1max_bs * 2000], [r2max_bs * 2000], 'ro', markersize=10) ax.plot([self._optimum.D1], [self._optimum.D2], 'wo', markersize=5) text = u"""\ Optimum D1: %.2f um Optimum D2: %.2f um Optimum D3: %.2f um Intensity: %.2f um^4/mm^2 Qmin: %.3f 1/nm Dmax: %.3f nm Sample-limited: SD<%.2f mm Beamstop-limited: SD>%.2f mm Current mode: %s""" % (self._optimum.D1, self._optimum.D2, self._optimum.D3, self._optimum.intensity, self._optimum.qmin, self._optimum.dmax, d_SsBS, d_BSsSplus, strictercriterion) ax.text(0.01, 0.97, text, transform=ax.transAxes, ha='left', va='top', alpha=1, bbox={'boxstyle': 'round', 'alpha': 0.3, 'color': 'white'}, fontsize='xx-small') ax.axis(lims) ax.legend(loc='lower right', fontsize='xx-small') self._figure.tight_layout() self._canvas.draw() def save_defaults(self): CONFIG['L1'] = self._l1.get() CONFIG['L2'] = self._l2.get() CONFIG['ls'] = self._ls.get() CONFIG['lbs'] = self._lbs.get() CONFIG['dsample'] = self._dsample.get() CONFIG['dbs'] = self._dbs.get() CONFIG['wavelength'] = self._wavelength.get() CONFIG['SD'] = self._sd.get() class CalculatorFrame(SearchFrame): def __init__(self, *args, **kwargs): SearchFrame.__init__(self, *args, **kwargs) f = tkinter.ttk.Frame(master=self) f.pack(side=tkinter.LEFT, fill=tkinter.Y, expand=False) self._entries = {} self._outputlabels = {} tkinter.ttk.Style().configure( 'leftjustified.TButton', anchor=tkinter.W) for row, name, label, initvalue, in zip( itertools.count(0), ['d1', 'd2', 'l1', 'intensity', 'l2', 'd3', 'ls', 'dsprime', 'ds', 'd', 'l3', 'ddetprime', 'ddet', 'wavelength', 'qmin', 'dmax', 'lbs', 'dbsprime', 'dbs'], ['PH#1 aperture (%s, um)', 'PH#2 aperture (%s, um)', 'PH#1-PH#2 distance (%s, mm)', 'Intensity factor (%s, um^4/mm^2)', 'PH#2-PH#3 distance (%s, mm)', 'PH#3 aperture (%s, um)', 'PH#3-Sample distance (%s, um)', 'Beam size at sample (%s, mm)', 'Extent of parasitic scattering at sample (%s, mm)', 'Sample-to-detector distance (%s, mm)', 'PH#3-Detector distance (%s, mm)', 'Beam size at detector (%s, mm)', 'Extent of parasitic scattering at detector (%s, mm)', 'Wavelength (%s, nm)', 'Lowest attainable q (%s, 1/mm)', 'Maximum lattice spacing (%s, mm)', 'Detector-Beamstop distance (%s, mm)', 'Beam size at beamstop (%s, mm)', 'Extent of parasitic scattering at beamstop (%s, mm)'], [CONFIG['D1'], CONFIG['D2'], CONFIG['L1'], None, CONFIG['L2'], None, CONFIG['ls'], None, None, CONFIG['SD'], None, None, None, CONFIG['wavelength'], None, None, CONFIG['lbs'], None, None]): if initvalue is not None: l = tkinter.ttk.Label(master=f, text=label % name + ':') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._entries[name] = tkinter.Spinbox( master=f, from_=0, to=500000) self._entries[name].delete(0, tkinter.END) self._entries[name].insert(0, str(initvalue)) self._entries[name].grid( row=row, column=1, sticky=tkinter.NSEW) else: b = tkinter.ttk.Button( master=f, text=label % name + ':', command=lambda n=name: self.do_calculate(n), style='leftjustified.TButton') b.grid(row=row, column=0, sticky=tkinter.NSEW) self._outputlabels[name] = tkinter.Label( master=f, text='--', anchor=tkinter.W) self._outputlabels[name].grid( row=row, column=1, sticky=tkinter.NSEW) f.columnconfigure(1, weight=1) def set_optimum(self, phconf): for entry, attr in [('d1', 'D1'), ('d2', 'D2'), ('l1', 'l1'), ('l2', 'l2'), ('ls', 'ls'), ('lbs', 'lbs'), ('d', 'sd'), ('wavelength', 'wavelength')]: self._entries[entry].delete(0, tkinter.END) self._entries[entry].insert(0, str(getattr(phconf, attr))) self._optimum = phconf self.after_idle(self.execute) def do_calculate(self, name): inputs = {} for n in self._entries: try: inputs[n] = float(self._entries[n].get()) except: inputs[n] = 0 phconf = PinholeConfiguration( inputs['l1'], inputs['l2'], inputs['d1'], inputs['d2'], inputs['ls'], inputs['lbs'], inputs['d'], 0, 0, 0, inputs['wavelength']) for nm in ['intensity', 'd3', 'dsprime', 'ds', 'l3', 'ddetprime', 'ddet', 'qmin', 'dmax', 'dbsprime', 'dbs']: if nm == 'intensity': result = phconf.intensity elif nm == 'd3': result = phconf.D3 elif nm == 'ds': result = phconf.Dsample_parasitic elif nm == 'dsprime': result = phconf.Dsample_direct elif nm == 'l3': result = phconf.l3 elif nm == 'ddet': result = phconf.Ddet_parasitic elif nm == 'ddetprime': result = phconf.Ddet_direct elif nm == 'qmin': result = phconf.qmin elif nm == 'dmax': result = phconf.dmax elif nm == 'dbsprime': result = phconf.Dbs_direct elif nm == 'dbs': result = phconf.Dbs_parasitic else: raise NotImplementedError(nm) # common parts inputs[nm] = result self._outputlabels[nm]['text'] = str(result) if name == nm: break self._optimum = phconf return result def execute(self): return self.do_calculate(None) def save_defaults(self): CONFIG['D1'] = self._entries['d1'].get() CONFIG['D2'] = self._entries['d2'].get() CONFIG['L1'] = self._entries['l1'].get() CONFIG['L2'] = self._entries['l2'].get() CONFIG['ls'] = self._entries['ls'].get() CONFIG['lbs'] = self._entries['lbs'].get() CONFIG['SD'] = self._entries['d'].get() CONFIG['wavelength'] = self._entries['wavelength'].get() class DeadlockException(Exception): pass class MonteCarloSearchFrame(SearchFrame): _printqueue_interval=100 # ms def __init__(self, *args, **kwargs): SearchFrame.__init__(self, *args, **kwargs) frame = tkinter.ttk.Frame(master=self) frame.pack(side=tkinter.TOP, fill=tkinter.X, expand=False) lf = tkinter.ttk.LabelFrame(master=frame, text='Parameters') lf.pack(side=tkinter.LEFT, fill=tkinter.BOTH, expand=True) lf.columnconfigure(1, weight=1) row = 0 l = tkinter.ttk.Label(master=lf, text='Sample-detector dist. (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._sd = tkinter.Spinbox(master=lf, from_=0, to=500000) self._sd.delete(0, tkinter.END) self._sd.insert(0, CONFIG['SD']) self._sd.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=lf, text='Wavelength (nm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._wavelength = tkinter.Spinbox(master=lf, from_=0, to=500000) self._wavelength.delete(0, tkinter.END) self._wavelength.insert(0, CONFIG['wavelength']) self._wavelength.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=lf, text='PH#3-sample distance (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._ls = tkinter.Spinbox(master=lf, from_=0, to=500000) self._ls.delete(0, tkinter.END) self._ls.insert(0, CONFIG['ls']) self._ls.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label( master=lf, text='Detector-beamstop distance (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._lbs = tkinter.Spinbox(master=lf, from_=0, to=500000) self._lbs.delete(0, tkinter.END) self._lbs.insert(0, CONFIG['lbs']) self._lbs.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 lf = tkinter.ttk.LabelFrame(master=frame, text='Constraints') lf.pack(side=tkinter.LEFT, fill=tkinter.BOTH, expand=True) lf.columnconfigure(1, weight=1) row = 0 l = tkinter.ttk.Label( master=lf, text='Maximum collimation length (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._l12 = tkinter.Spinbox(master=lf, from_=0, to=500000) self._l12.delete(0, tkinter.END) self._l12.insert(0, CONFIG['L12_max']) self._l12.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=lf, text='Maximum PH#1 aperture (um):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._D1max = tkinter.Spinbox(master=lf, from_=0, to=500000) self._D1max.delete(0, tkinter.END) self._D1max.insert(0, CONFIG['D1_max']) self._D1max.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=lf, text='Maximum PH#2 aperture (um):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._D2max = tkinter.Spinbox(master=lf, from_=0, to=500000) self._D2max.delete(0, tkinter.END) self._D2max.insert(0, CONFIG['D2_max']) self._D2max.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=lf, text='Maximum sample diameter (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._dsample = tkinter.Spinbox(master=lf, from_=0, to=500000) self._dsample.delete(0, tkinter.END) self._dsample.insert(0, CONFIG['dsample']) self._dsample.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label( master=lf, text='Maximum beamstop diameter (mm):') l.grid(row=row, column=0, sticky=tkinter.NSEW) self._dbs = tkinter.Spinbox(master=lf, from_=0, to=500000) self._dbs.delete(0, tkinter.END) self._dbs.insert(0, CONFIG['dbs']) self._dbs.grid(row=row, column=1, sticky=tkinter.NSEW) row += 1 lf = tkinter.ttk.LabelFrame(master=self, text='Monte Carlo parameters') lf.pack(side=tkinter.TOP, fill=tkinter.X, expand=False) lf.columnconfigure(1, weight=1) lf.columnconfigure(3, weight=1) row = 0 column = 0 l = tkinter.ttk.Label(master=lf, text='Monte Carlo steps per run:') l.grid(row=row, column=column, sticky=tkinter.NSEW) self._NMC = tkinter.Spinbox(master=lf, from_=0, to=5000000000) self._NMC.delete(0, tkinter.END) self._NMC.insert(0, CONFIG['MCsteps']) self._NMC.grid(row=row, column=column + 1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=lf, text='Monte Carlo runs:') l.grid(row=row, column=column, sticky=tkinter.NSEW) self._NMCiters = tkinter.Spinbox(master=lf, from_=0, to=5000000000) self._NMCiters.delete(0, tkinter.END) self._NMCiters.insert(0, CONFIG['MCruns']) self._NMCiters.grid(row=row, column=column + 1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=lf, text='Maximum retries for deadlock:') l.grid(row=row, column=column, sticky=tkinter.NSEW) self._Ndeadlock = tkinter.Spinbox(master=lf, from_=0, to=5000000000) self._Ndeadlock.delete(0, tkinter.END) self._Ndeadlock.insert(0, CONFIG['Ndeadlock']) self._Ndeadlock.grid(row=row, column=column + 1, sticky=tkinter.NSEW) row += 1 column = 2 row = 0 l = tkinter.ttk.Label( master=lf, text='Initial relative temperature (kbT):') l.grid(row=row, column=column, sticky=tkinter.NSEW) self._kbT = tkinter.Spinbox(master=lf, from_=0, to=5000000000) self._kbT.delete(0, tkinter.END) self._kbT.insert(0, CONFIG['kbT']) self._kbT.grid(row=row, column=column + 1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=lf, text='Relative stepsize:') l.grid(row=row, column=column, sticky=tkinter.NSEW) self._relstep = tkinter.Spinbox(master=lf, from_=0, to=1) self._relstep.delete(0, tkinter.END) self._relstep.insert(0, CONFIG['relstepsize']) self._relstep.grid(row=row, column=column + 1, sticky=tkinter.NSEW) row += 1 l = tkinter.ttk.Label(master=lf, text='Aimed acceptance ratio:') l.grid(row=row, column=column, sticky=tkinter.NSEW) self._acceptance = tkinter.Spinbox(master=lf, from_=0, to=1) self._acceptance.delete(0, tkinter.END) self._acceptance.insert(0, CONFIG['accratio']) self._acceptance.grid(row=row, column=column + 1, sticky=tkinter.NSEW) row += 1 lf = tkinter.ttk.LabelFrame(master=self, text='Results') lf.pack(side=tkinter.TOP, fill=tkinter.BOTH, expand=True) lf.rowconfigure(0, weight=1) lf.columnconfigure(0, weight=1) f = tkinter.ttk.Frame(master=lf) f.grid(sticky=tkinter.NSEW) f.rowconfigure(0, weight=1) f.columnconfigure(0, weight=1) self._text = tkinter.Text( master=f, width=30, height=15, state=tkinter.DISABLED) self._text.grid(row=0, column=0, sticky=tkinter.NSEW) hs = tkinter.ttk.Scrollbar( master=f, orient=tkinter.HORIZONTAL, command=self._text.xview) hs.grid(row=1, column=0, sticky=tkinter.NSEW) vs = tkinter.ttk.Scrollbar( master=f, orient=tkinter.VERTICAL, command=self._text.yview) vs.grid(row=0, column=1, sticky=tkinter.NSEW) self._text['xscrollcommand'] = hs.set self._text['yscrollcommand'] = vs.set self._text['state'] = tkinter.DISABLED self._queue = queue.Queue() self.after(self._printqueue_interval, self._queue_consumer) def _queue_consumer(self): self._text['state'] = tkinter.NORMAL while True: try: message = self._queue.get_nowait() self._text.insert(tkinter.END, message + '\n') except queue.Empty: self.after(self._printqueue_interval,self._queue_consumer) self._text['state']=tkinter.DISABLED self._text.see(tkinter.END) self._text.update_idletasks() return def _get_new_value(self, oldvalue, steprange, maxvalue, Ndeadlock): for k in range(Ndeadlock): if (not k % (Ndeadlock / 10)) and (k / (Ndeadlock / 10)) > 2: self.write( "Inner deadlock suspicion:", (k / (Ndeadlock / 10) + 1), '/10') newvalue = oldvalue + np.random.randn() * steprange if (newvalue > 0) and (newvalue <= maxvalue): return newvalue raise DeadlockException def write(self, *args, **kwargs): self._queue.put_nowait(' '.join(str(a) for a in args)) def _runMC(self, starting_state, l1_step, l2_step, r1_step, r2_step, l1max, l2max, r1max, r2max, NMC, Ndeadlock, Ninnerdeadlock, rbs, rs, L12, kbT): accepted = 0 optimum = starting_state.copy() state = starting_state.copy() intensity = state.intensity intensityopt = intensity for i in range(NMC): if (not i % (NMC / 10)): self.write(" Iteration #%d: Intensity: %f" % (i, intensity)) what = ['l1', 'l2', 'r1', 'r2'][i % 4] for j in range(Ndeadlock): if (not j % (Ndeadlock / 10)) and (j / (Ndeadlock / 10)) > 7: self.write( " Iteration #%d: deadlock suspicion: %d/10" % (i, j / (Ndeadlock / 10) + 1)) state1 = state.copy() try: if what == 'l1': state1.l1 = self._get_new_value(state1.l1, l1_step, l1max, Ninnerdeadlock) elif what == 'l2': state1.l2 = self._get_new_value(state1.l2, l2_step, l2max, Ninnerdeadlock) elif what == 'r1': state1.r1 = self._get_new_value(state1.r1, r1_step, r1max, Ninnerdeadlock) elif what == 'r2': state1.r2 = self._get_new_value(state1.r2, r2_step, r2max, Ninnerdeadlock) except DeadlockException: self.write(" Recovering from inner deadlock.") continue if ((state1.rbs <= rbs) and (state1.rs <= rs) and (state1.l1 + state1.l2 <= L12)): break if j >= Ndeadlock - 1: self.write(" Deadlock detected at iteration #%d" % i) continue intensity1 = state1.intensity if np.random.rand() < np.exp((intensity1 - intensity) / kbT): state = state1 intensity = intensity1 accepted += 1 if intensity > intensityopt: optimum = state intensityopt = intensity return optimum, state, accepted / float(NMC) def run_thread(self, state, L12, r1max, r2max, relstep, NMC, NMCiters, Ndeadlock, rbs, rs, kbT, acceptance): starttime = time.time() self.write('Monte Carlo simulation started.') self.write('Max. collimation length:', L12) self.write('Beamstop radius:', rbs) self.write('Sample radius:', rs) optimum = state.copy() for k in range(NMCiters): l2_step = l1_step = L12 * relstep r1_step = r1max * relstep r2_step = r2max * relstep optimum1, state, acc = self._runMC(state, l1_step, l2_step, r1_step, r2_step, L12, L12, r1max, r2max, NMC, Ndeadlock, Ndeadlock, rbs, rs, L12, kbT) if optimum1.intensity > optimum.intensity: optimum = optimum1 self.write( "After MC loop #%d/%d, acceptance ratio is: %.3f" % (k + 1, NMCiters, acc)) if acc < acceptance: kbT *= 2 else: kbT /= 2 self.write("New temperature: %s" % kbT) self.write("Optimum up to now: %s" % optimum) self.write('---------------') self.write('Found solution:') self.write('---------------') self.write('D1: %.2f um' % optimum.D1) self.write('D2: %.2f um' % optimum.D2) self.write('l1: %.2f mm' % optimum.l1) self.write('l2: %.2f mm' % optimum.l2) self.write('Ds: %.2f mm' % optimum.Dsample) self.write('Dbs: %.2f mm' % optimum.Dbs) self.write('Intensity: %.2f um^4/mm^2' % optimum.intensity) self.write('---------------') t = time.time() - starttime h = np.floor(t / 3600) m = np.floor((t - 3600 * h) / 60) s = np.floor((t - 3600 * h - 60 * m)) ms = (t - 3600 * h - 60 * m - s) self.write('Elapsed time: %02d:%02d:%02d.%d' % (h, m, s, ms)) del self._thread self._optimum = optimum def execute(self): if hasattr(self, '_thread'): tkinter.messagebox.showerror( 'Error', 'Monte Carlo thread is already running.') return L12 = float(self._l12.get()) rs = 0.5 * float(self._dsample.get()) rbs = 0.5 * float(self._dbs.get()) sd = float(self._sd.get()) ls = float(self._ls.get()) lbs = float(self._lbs.get()) r1max = float(self._D1max.get()) * 0.5e-3 r2max = float(self._D2max.get()) * 0.5e-3 NMC = int(self._NMC.get()) NMCiters = int(self._NMCiters.get()) Ndeadlock = int(self._Ndeadlock.get()) acceptance = float(self._acceptance.get()) relstep = float(self._relstep.get()) kbT = float(self._kbT.get()) # initialization while True: l1 = np.random.uniform(0, L12) state = PinholeConfiguration(l1, np.random.uniform(0, L12 - l1), 2000 * np.random.uniform(0, r1max), 2000 * np.random.uniform(0, r2max), ls, lbs, sd) if (state.rs < rs) and (state.rbs < rbs): break self._thread = threading.Thread(target=self.run_thread, name='MC_calculation', args=(state, L12, r1max, r2max, relstep, NMC, NMCiters, Ndeadlock, rbs, rs, kbT, acceptance), daemon=True) self._thread.start() def save_defaults(self): CONFIG['L12_max'] = self._l12.get() CONFIG['dsample'] = self._dsample.get() CONFIG['dbs'] = self._dbs.get() CONFIG['SD'] = self._sd.get() CONFIG['ls'] = self._ls.get() CONFIG['lbs'] = self._lbs.get() CONFIG['D1_max'] = self._D1max.get() CONFIG['D2_max'] = self._D2max.get() CONFIG['MCsteps'] = self._NMC.get() CONFIG['MCiters'] = self._NMCiters.get() CONFIG['Ndeadlock'] = self._Ndeadlock.get() CONFIG['accratio'] = self._acceptance.get() CONFIG['relstepsize'] = self._relstep.get() CONFIG['kbT'] = self._kbT.get() class MainWindowFrame(tkinter.ttk.Frame): def __init__(self, *args, **kwargs): tkinter.ttk.Frame.__init__(self, *args, **kwargs) self._notebook = tkinter.ttk.Notebook(master=self) self._notebook.pack(fill=tkinter.BOTH, expand=True) self._tabs = [] for tabframeclass, tabname in [(BruteForceSearchFrame, 'Brute-force'), (FixedApertureSearchFrame, 'Fixed aperture'), (FixedDistanceSearchFrame, 'Fixed distance'), (MonteCarloSearchFrame, 'Global Monte Carlo'), (CalculatorFrame, 'Calculator'), ]: self._tabs.append(tabframeclass(appframe=self, master=self._notebook)) self._notebook.add( self._tabs[-1], text=tabname, sticky=tkinter.NSEW) buttonframe = tkinter.ttk.Frame(master=self) buttonframe.pack(side=tkinter.BOTTOM, fill=tkinter.BOTH, expand=False) for buttontext, buttoncommand in [('Quit', self.do_quit), ('Execute', self.do_execute), ('Store optimum', self.do_store_optimum), ('Retrieve optimum', self.do_retrieve_optimum) ]: b = tkinter.ttk.Button(master=buttonframe, text=buttontext, command=buttoncommand) b.pack(side=tkinter.LEFT, fill=tkinter.BOTH, expand=True) self._optimum = None def do_quit(self): self.winfo_toplevel().destroy() def do_store_optimum(self): self._optimum = self._tabs[ self._notebook.index('current')].get_optimum() def do_retrieve_optimum(self): if self._optimum is None: return self._tabs[self._notebook.index('current')].set_optimum(self._optimum) def do_execute(self): try: self._tabs[self._notebook.index('current')].execute() self._tabs[self._notebook.index('current')].save_defaults() except ValueError as ve: tkinter.messagebox.showerror('Error',ve.args[0]) CONFIGroot = configparser.ConfigParser() CONFIGroot['CONFIG'] = {} CONFIG = CONFIGroot['CONFIG'] CONFIG['wavelength'] = '0.15418' CONFIG['SD'] = '520.0' CONFIG['ls'] = '130.0' CONFIG['lbs'] = '54.0' CONFIG['dsample'] = '0.8' CONFIG['dbs'] = '4.0' CONFIG['L_elements'] = '100, 100, 200, 200, 500, 800' CONFIG['D1_choices'] = '150, 300, 600, 1000, 1250' CONFIG['D2_choices'] = '150, 300, 400, 500, 1000' CONFIG['sealring'] = '4.0' CONFIG['L1_bare'] = '104.0' CONFIG['L2_bare'] = '104.0' CONFIG['dsample_minimum'] = '0.0' CONFIG['dsample_maximum'] = '0.9' CONFIG['dbs_minimum'] = '0.0' CONFIG['dbs_maximum'] = '4.0' CONFIG['D1'] = '500.0' CONFIG['D2'] = '200.0' CONFIG['L1'] = '500.0' CONFIG['L2'] = '800.0' CONFIG['L12_max'] = '3000.0' CONFIG['D1_max'] = '1000.0' CONFIG['D2_max'] = '1000.0' CONFIG['MCsteps'] = '10000' CONFIG['MCruns'] = '10' CONFIG['Ndeadlock'] = '10000' CONFIG['kbT'] = '500.0' CONFIG['relstepsize'] = '0.01' CONFIG['accratio'] = '0.5' CONFIGroot.read(os.path.expanduser('~/.SASCollOpt'), encoding='utf-8') root = tkinter.Tk() root.wm_title('SASCollOpt -- Optimum Collimation for Small-Angle Scattering') mwf = MainWindowFrame(master=root) mwf.pack(fill=tkinter.BOTH, expand=True) root.mainloop() with open(os.path.expanduser('~/.SASCollOpt'), 'wt', encoding='utf-8') as f: CONFIGroot.write(f)