/
collapsator.py
executable file
·483 lines (385 loc) · 18.9 KB
/
collapsator.py
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#!/usr/bin/env python3
import matplotlib
matplotlib.use("TkAgg")
from matplotlib.backends.backend_tkagg import FigureCanvasTkAgg, NavigationToolbar2TkAgg
from matplotlib.figure import Figure
import tkinter as tk
from tkinter import ttk
from tkinter.filedialog import askopenfilename
from tkinter import messagebox
from os.path import isfile
import matplotlib.pyplot as plt
from scipy.optimize import minimize
import numpy as np
def reescale (exp, sizes, loaded_data):
a = exp[0] # Y axis[2]
b = exp[1] # X axis
lamb = exp[2]
reescaled = []
#calculates the reescaled values
for i in range(len(sizes)):
reescaled.append([np.multiply(np.subtract(loaded_data[ i][0], lamb), pow(sizes[i], b)), np.multiply(loaded_data[i][1] ,pow(sizes[i],a)), sizes[i]])
return reescaled
def getLine(x,y):
#makes a linear fit of the two neighbouring points in the reference curve
slope = float(y[0] - y[1])/(x[0] - x[1])
intercept = y[0] - slope* x[0]
return np.poly1d([slope, intercept])
def distCurves(exp, sizes, loaded_data, xMin, xMax):
reescaled = reescale(exp, sizes, loaded_data)
yScaleFactor = np.power(max(sizes), exp[0])
residual = 0.0
#loops the reference curve over all curves
for spreaded in range(len(loaded_data)):
#loops over the remaining curves measuring the distance between them
for idx in [x for x in range(len(loaded_data)) if x != spreaded]:
#if xs[0].max > reescaled[spreaded][0].max():
# return 100000.0
#loops over the points of the current curve
for index in range(len(loaded_data[idx][0])):
if loaded_data[idx][0][index] >= xMin and loaded_data[idx][0][index] <= xMax :
#finds the places where the reference curve is bigger than the current curve
wheres = np.where(reescaled[spreaded][0] > reescaled[idx][0][index])
#checks if there are points in the reference curve that are bigger than the current curve
if wheres[0].size != 0:
if wheres[0][0] != 0:
#makes a linear fit of the two neighbouring points in the reference curve
y = reescaled[spreaded][1][wheres[0][0] -1 : wheres[0][0]+1]
x = reescaled[spreaded][0][wheres[0][0] -1 : wheres[0][0]+1]
linha = getLine(x, y)
residual += abs(reescaled[idx][1][index] - linha(reescaled[idx][0][index]))/yScaleFactor
#if there are no points in the reference curve smaller than the current point it simply takes the distancec to the 1st point in the reference curve
else:
residual += abs(reescaled[idx][1][index] - reescaled[spreaded][1][0])/yScaleFactor
#in this case the reference curve is allways smaller than the current curve.
else:
residual += abs(reescaled[idx][1][index] - reescaled[spreaded][1][-1])/yScaleFactor
#residual += np.sum(np.absolute(np.subtract(xs[1], fitted(xs[0]))))/len(xs[0])
return residual
def validateFloat(action, index, value_if_allowed, prior_value, text, validation_type, trigger_type, widget_name):
if text in '0123456789.-+':
try:
float(value_if_allowed)
return True
except ValueError:
return False
else:
return False
def validateInt(action, index, value_if_allowed, prior_value, text, validation_type, trigger_type, widget_name):
if text in '0123456789':
try:
int(value_if_allowed)
return True
except ValueError:
return False
else:
return False
def validateFile(path):
if not isfile(path):
messagebox.showerror("Error", path + " is not a file.")
return True
class inFrame:
def __init__(self, frame):
self.scrollCanvas = tk.Canvas(frame)
self.frame = tk.Frame(self.scrollCanvas)
self.scrollBar = tk.Scrollbar(frame, orient="vertical", command=self.scrollCanvas.yview)
self.scrollBar.grid(column=1,row=0,sticky='nsew')
self.scrollCanvas['yscrollcommand'] = self.scrollBar.set
self.scrollBar.grid_forget()
self.scrollCanvas.create_window((0,0),window=self.frame,anchor='nw')
self.frame.bind("<Configure>", self.AuxscrollFunction)
self.scrollCanvas.grid(column=0,row=0,sticky='nsew')
addButton = ttk.Button(self.frame, text="Add file", command=self.addEntry)
addButton.grid(column=1, row=100)
#remButton = ttk.Button(self.frame, text="Remove file", command=self.delEntry)
#remButton.grid(column=2, row=0)
self.counter = 0
self.addEntry()
def addEntry(self):
def cText(*args):
entry.delete(0,'end')
entry.insert(0,askopenfilename())
def delEntry(*args):
if self.counter > 1:
entry.destroy()
entryN.destroy()
cBut.destroy()
nEq.destroy()
delBut.destroy()
self.counter -= 1
#this is important as to not violate the add button
if self.counter < 99:
self.counter+=1
#to resize the scrollbar
self.scrollBar.grid_forget()
text = tk.StringVar()
entry = ttk.Entry(self.frame, textvariable=text, width=40, validate = 'focusout', validatecommand = (self.frame.register(validateFile), '%s'))
entry.grid(column=1, row=self.counter, columnspan=2)
cBut = ttk.Button(self.frame, text="Open", command=cText)
cBut.grid(column=0, row=self.counter, padx=(2,8))
nEq = ttk.Label(self.frame, text=" N = ")
nEq.grid(column=3, row=self.counter)
vcmd = (self.frame.register(validateInt), '%d', '%i', '%P', '%s', '%S', '%v', '%V', '%W')
textN = tk.IntVar()
textN.set(0)
#textN.trace("w",callback=mustBeInt)
entryN = ttk.Entry(self.frame, textvariable=textN, width=5, validate = 'key', validatecommand = vcmd)
entryN.grid(column=4, row=self.counter)
delBut = ttk.Button(self.frame, text="del", command=delEntry)
delBut.grid(column=5, row=self.counter, padx=(8,2))
self.scrollBar.grid(column=1,row=0,sticky='nsew')
def fileLocations(self):
entries = []
for name in self.frame.winfo_children():
if isinstance(name, ttk.Entry):
entries.append(name.get())
fileLocs = entries[0::2]
sizes = entries[1::2]
return (fileLocs, sizes)
def enableChilds(self):
for child in self.frame.winfo_children():
if isinstance(child, ttk.Entry) or isinstance(child, ttk.Button):
child.configure(state='normal')
def disableChilds(self):
for child in self.frame.winfo_children():
if isinstance(child, ttk.Entry) or isinstance(child, ttk.Button):
child.configure(state='disabled')
def AuxscrollFunction(self,event):
#You need to set a max size for frameTwo. Otherwise, it will grow as needed, and scrollbar do not act
self.scrollCanvas.configure(scrollregion=self.scrollCanvas.bbox("all"),width=600,height=110)
class guessFrame:
def __init__(self, frame):
self.frame = frame
ttk.Label(self.frame, text="a =").grid(row=0, column=0, sticky=(tk.E))
ttk.Label(self.frame, text="b =").grid(row=1, column=0, sticky=(tk.E))
ttk.Label(self.frame, text="x_c =").grid(row=2, column=0, sticky=(tk.E))
ttk.Label(self.frame, text="x_min =").grid(row=3, column=0, sticky=(tk.E))
ttk.Label(self.frame, text="x_max =").grid(row=4, column=0, sticky=(tk.E))
vcmd = (self.frame.register(validateFloat), '%d', '%i', '%P', '%s', '%S', '%v', '%V', '%W')
self.aVar = tk.DoubleVar(value=0.)
self.bVar = tk.DoubleVar(value=0.)
self.xcVar = tk.DoubleVar(value=0.)
self.xminVar = tk.DoubleVar()
self.xmaxVar = tk.DoubleVar()
aEntry = ttk.Entry(self.frame, textvariable=self.aVar, width=10, validate = 'key', validatecommand = vcmd, state='disabled')
bEntry = ttk.Entry(self.frame, textvariable=self.bVar, width=10, validate = 'key', validatecommand = vcmd, state='disabled')
xcEntry = ttk.Entry(self.frame, textvariable=self.xcVar, width=10, validate = 'key', validatecommand = vcmd, state='disabled')
xminEntry = ttk.Entry(self.frame, textvariable=self.xminVar, width=10, validate = 'key', validatecommand = vcmd, state='disabled')
xmaxEntry = ttk.Entry(self.frame, textvariable=self.xmaxVar, width=10, validate = 'key', validatecommand = vcmd, state='disabled')
aEntry.grid(row=0,column=1)
bEntry.grid(row=1,column=1)
xcEntry.grid(row=2,column=1)
xminEntry.grid(row=3,column=1)
xmaxEntry.grid(row=4,column=1)
#aVar.set(0.)
#bVar.set(0.)
#xcVar.set(0.)
self.aFix = tk.BooleanVar()
self.aFix.set(False)
aFixButt = ttk.Checkbutton(self.frame, text='fixate', variable=self.aFix, state='disabled')
#aFixButt.grid(row=0,column=2)
self.bFix = tk.BooleanVar()
self.bFix.set(False)
bFixButt = ttk.Checkbutton(self.frame, text='fixate', variable=self.bFix, state='disabled')
#bFixButt.grid(row=1,column=2)
self.xcFix = tk.BooleanVar()
self.xcFix.set(False)
xcFixButt = ttk.Checkbutton(self.frame, text='fixate', variable=self.xcFix, state='disabled')
#xcFixButt.grid(row=2,column=2)
def enableChilds(self):
for child in self.frame.winfo_children():
if isinstance(child, ttk.Entry) or isinstance(child, ttk.Checkbutton):
child.configure(state='normal')
def disableChilds(self):
for child in self.frame.winfo_children():
if isinstance(child, ttk.Entry) or isinstance(child, ttk.Checkbutton):
child.configure(state='disabled')
def setDefault(self, guess, xmin, xmax):
self.aVar.set(guess[0])
self.bVar.set(guess[1])
self.xcVar.set(guess[2])
self.xminVar.set(xmin)
self.xmaxVar.set(xmax)
def returnVals(self):
return [self.aVar.get(),self.bVar.get(),self.xcVar.get()]
class mainWin:
def __init__(self):
self.root = tk.Tk()
self.root.title("Collapsator")
#whole container
self.content = ttk.Frame(self.root)
#input files container
filesFrame = ttk.LabelFrame(self.content, text="Input files", borderwidth=2)
self.inFrame = inFrame(filesFrame)
#plot preview container
self.plotFrame = tk.Frame(self.content, borderwidth=5, relief="sunken")
tk.Frame(self.plotFrame, width=300, height=300, bg='white').pack()
self.distLabel = tk.Label(self.content, text="S = ????")
#expoent and results frame
guesFrame = ttk.Frame(self.content)
self.resVal = guessFrame(guesFrame)
self.Ninterac = tk.IntVar()
self.Ninterac.set(100)
self.interacEntry = tk.Entry(self.content, textvariable=self.Ninterac, validate = 'key', validatecommand = (self.content.register(validateInt), '%d', '%i', '%P', '%s', '%S', '%v', '%V', '%W'), width=8, state='disabled')
self.approxButt = tk.Button(self.content, text="Approximate", command=self.approximate, state='disabled')
self.exportButt = tk.Button(self.content, text='Export', command=self.exportDat, state='disabled')
#adding things to the interface
self.content.pack()
filesFrame.grid(column=0, row=0, columnspan=3, padx=8, pady=8)
self.plotFrame.grid(column=0, row=1, rowspan=4, padx=8, pady=4, sticky='nesw')
self.loadedFlag = False
self.loadButt = tk.Button(self.content, text="Load data", command=self.loadData)
self.loadButt.grid(column=1, row=1, padx=8, pady=8)
self.replotButt = tk.Button(self.content, text="Replot", state='disabled', command=self.graphReplot)
self.replotButt.grid(column=2, row=1, padx=8, pady=8)
guesFrame.grid(column=1, row=2, columnspan=2, padx=8, pady=4)
self.interacEntry.grid(column=1, row=3, sticky=(tk.E, tk.S))
tk.Label(self.content, text=" interactions").grid(column=2, row=3, sticky=(tk.W, tk.S))
self.approxButt.grid(column=1, columnspan=2, row=4, sticky=(tk.N), pady=4)
self.distLabel.grid(column=0, row=5, padx=4, pady=4)
self.exportButt.grid(column=1, columnspan=2, row=5, padx=4, pady=4)
self.root.mainloop()
def loadData(self):
def loadFile(path):
if isfile(path):
try:
return np.loadtxt(path, usecols=[0,1])
except ValueError:
return messagebox.askyesno("Error", path + " could not be loaded. Do you want to continue without it?")
else:
return messagebox.askyesno("Error", path + " is not a file. Do you want to continue without it?")
if not self.loadedFlag:
fileList, preSizes = self.inFrame.fileLocations()
dataSet = []
sizes = []
for i in range(len(fileList)):
res = loadFile(fileList[i])
if isinstance(res, np.ndarray):
if preSizes[i] == '':
size = 0
else:
size= int(preSizes[i])
if size== 0:
if not messagebox.askyesno("Error", "0 is not a valid system size. Do you want to continue without this file?"):
del dataSet[:]
del sizes[:]
return
else:
dataSet.append(res.transpose())
sizes.append(size)
elif not res:
del dataSet[:]
del sizes[:]
return
if len(dataSet) > 1:
#print(dataSet[0][0])
xmin = dataSet[0][0].min()
xmax = dataSet[0][0].max()
for xs in dataSet:
lmin = xs[0].min()
lmax = xs[0].max()
if lmin < xmin: xmin = lmin
if lmax > xmax: xmax = lmax
self.resVal.setDefault([0.0,0.0,0.0],xmin,xmax)
self.loadedFlag = True
self.loadButt.configure(text="Change files")
self.inFrame.disableChilds()
self.resVal.enableChilds()
self.replotButt.configure(state='normal')
self.interacEntry.configure(state='normal')
self.approxButt.configure(state='normal')
self.exportButt.configure(state='normal')
self.plotData = dataSet
self.sysSizes = sizes
self.graphPlot()
else:
messagebox.showerror("Error", "You need at least 2 valid data sets.")
else:
self.loadedFlag = False
self.loadButt.configure(text="Load data")
self.resVal.disableChilds()
self.inFrame.enableChilds()
self.replotButt.configure(state='disabled')
self.interacEntry.configure(state='disabled')
self.approxButt.configure(state='disabled')
self.exportButt.configure(state='disabled')
def graphPlot(self):
#update distance label
self.updateDist()
for child in self.plotFrame.winfo_children():
child.destroy()
f = Figure(figsize=(4,4), dpi=100)
self.axis = f.add_subplot(111)
for graph in self.plotData:
self.axis.plot(graph[0],graph[1], 'o')
self.canvas = FigureCanvasTkAgg(f, self.plotFrame)
self.canvas.show()
self.canvas.get_tk_widget().pack(side=tk.BOTTOM, fill=tk.BOTH, expand=True)
toolbar = NavigationToolbar2TkAgg(self.canvas, self.plotFrame)
toolbar.update()
self.canvas._tkcanvas.pack(side=tk.TOP, fill=tk.BOTH, expand=True)
def graphReplot(self):
#update info labels
self.updateDist()
#self.statusLabel.configure(text='')
reescaled = reescale(self.resVal.returnVals(),self.sysSizes, self.plotData)
xmin = reescaled[0][0].min()
xmax = reescaled[0][0].max()
ymin = reescaled[0][1].min()
ymax = reescaled[0][1].max()
for xs in reescaled:
lmin = xs[0].min()
lmax = xs[0].max()
if lmin < xmin: xmin = lmin
if lmax > xmax: xmax = lmax
lmin = xs[1].min()
lmax = xs[1].max()
if lmin < ymin: ymin = lmin
if lmax > ymax: ymax = lmax
self.axis.clear()
self.axis.set_xlim(xmin, xmax)
self.axis.set_ylim(ymin, ymax)
for graph in reescaled:
self.axis.plot(graph[0],graph[1], 'o')
self.canvas.draw()
def exportDat(self):
fileName = tk.filedialog.asksaveasfilename(filetypes=[('data','.dat'),('text','.txt')])
if fileName is None:
return
reescaled = reescale(self.resVal.returnVals(),self.sysSizes, self.plotData)
comment = "#a=%lf b=%lf x_c=%lf\n"%tuple(self.resVal.returnVals())
comment += "#"
for size in self.sysSizes:
comment += "% 8d\t \t"%(size)
comment += "\n"
bigest = 0
for element in reescaled:
if bigest < len(element[0]):
bigest = len(element[0])
with open(fileName, 'w') as saida:
saida.write(comment)
for i in range(bigest):
for array in reescaled:
if i < len(array[0]):
saida.write("%lf\t%lf\t"%(array[0][i],array[1][i]))
else:
saida.write(" \t \t")
saida.write("\n")
#for i in range(len(reescaled[0][0])):
# for j in range(len(reescaled)):
# for k in range(2):
# output.write("%lf\t"%(reescaled[j][k][i]))
# output.write("\n")
def updateDist(self):
dist = distCurves(self.resVal.returnVals(),self.sysSizes, self.plotData, self.resVal.xminVar.get(), self.resVal.xmaxVar.get())
self.distLabel.configure(text="S = %g"%(dist))
def approximate(self):
guess = self.resVal.returnVals()
xmin = self.resVal.xminVar.get()
xmax = self.resVal.xmaxVar.get()
res = minimize(distCurves, guess , args=(self.sysSizes, self.plotData, xmin, xmax), method='Nelder-Mead', options={'maxiter': self.Ninterac.get()})
self.resVal.setDefault(res['x'],xmin,xmax)
#self.distLabel.configure(text="S = %g"%(res['fun']))
self.graphReplot()
#self.statusLabel.configure(text=res['message'])
mainWin()