From dc888ad3228b1e3ad3a7320d12142e7d4c38de2e Mon Sep 17 00:00:00 2001
From: Wojciech Wojnowski <wojciech.wojnowski@pg.edu.pl>
Date: Sat, 5 Oct 2024 13:04:39 +0000
Subject: [PATCH] Upload New File
---
main.py | 416 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++
1 file changed, 416 insertions(+)
create mode 100644 main.py
diff --git a/main.py b/main.py
new file mode 100644
index 0000000..4ed6b1b
--- /dev/null
+++ b/main.py
@@ -0,0 +1,416 @@
+import tkinter as tk
+from tkinter import ttk
+import matplotlib.pyplot as plt
+from matplotlib.backends.backend_tkagg import FigureCanvasTkAgg
+from tkinter import filedialog
+from matplotlib import colormaps
+
+# Start the main app:
+root = tk.Tk()
+root.title('RAPI beta 0.7')
+root.geometry('1000x600')
+root.iconbitmap('Icon.ico')
+
+# Define the color palette. This can be based on https://materialui.co/colors
+colors = {
+ 'foreground': '#ffffff',
+ 'background': '#EEEEEE',
+ 'accent': '#FFCC80',
+ 'text': 'black',
+ 'inactive': '#AAAAAA' # Grayed-out color for inactive elements
+}
+
+# Configure the background:
+root.configure(bg=colors['background'], padx=0, pady=0)
+
+# Create and configure a style to be used in tabs, labels, and other elements
+s = ttk.Style()
+s.theme_create("RAPI_theme", parent="alt", settings={
+ 'TLabel': {
+ 'configure': {
+ 'background': colors['foreground'],
+ 'foreground': colors['text'],
+ 'padding': [0, 5, 7, 0]}},
+ 'TFrame': {
+ 'configure': {
+ 'background': colors['foreground'],
+ 'borderwidth': 0,
+ 'highlightcolor': 'red'}},
+ 'TRadiobutton': {
+ 'configure': {
+ 'background': colors['foreground'],
+ 'foreground': colors['text'],
+ 'padding': [5, 0, 0, 0],
+ }},
+ 'TMenubutton': {
+ 'configure': {
+ 'background': colors['accent'],
+ 'foreground': colors['text'],
+ 'padding': [5, 0, 0, 0],
+ 'width': '30'
+ }},
+ 'TMenu': {
+ 'configure': {
+ 'background': colors['accent'],
+ 'foreground': colors['text'],
+ 'width': '20',
+ 'arrowcolor': colors['text'],
+ }},
+})
+
+s.configure('RAPI_theme', relief='flat',
+ background=colors['background'],
+ foreground=colors['text'],
+ insertcolor=colors['text'],
+ selectbackground=colors['accent']
+ )
+
+s.theme_use("RAPI_theme")
+
+
+def save_image():
+ ftypes = [('PNG file', '.png'), ('SVG file', '.svg'), ('All files', '*')]
+ filename = filedialog.asksaveasfilename(filetypes=ftypes, defaultextension='.png')
+ plt.savefig(filename, bbox_inches='tight', dpi=300)
+
+
+def reset_scores():
+ for criterion in criteria:
+ criterion.valuevar.set(0.0)
+ criterion.color.set('white')
+ for dropdown in dropdowns:
+ dropdown.reset_option()
+
+ chromatography_var.set('no')
+ toggle_chromatography() # Resets state according to radio button
+ create_plot()
+
+
+def call_info_popup():
+ win = tk.Toplevel()
+ win_frame = tk.Frame(win, width=500, background=colors['foreground'])
+ win_frame.pack()
+ win.iconbitmap('Icon.ico')
+ win.wm_title('About and citation info')
+ text0 = ttk.Label(win_frame, text='RAPI is a metric tool for ...',
+ wraplength=380, justify='left')
+ text0.grid(column=0, row=0, padx=8, pady=8, sticky='w')
+ text1 = ttk.Label(win_frame, text='If you use RAPI, please cite:', wraplength=280, justify='left')
+ text1.grid(column=0, row=1, padx=8, pady=8, sticky='w')
+ text2 = tk.Text(win_frame, width=50, height=6, wrap='word', bg=colors['background'])
+ citation = 'PaweĹ Mateusz Nowak, Wojciech Wojnowski, Natalia Manousi, Victoria Samanidou, Justyna PĹotka-Wasylka,' \
+ 'Red Analytical Performance Index (RAPI) and software: the missing tool for assessing methods' \
+ 'in terms of analytical effectiveness, doi.org/XX.XXXX/XXXXXXXXXX'
+ text2.grid(column=0, row=2, padx=8, pady=8, sticky='w')
+ text2.insert(tk.END, citation)
+ text3 = ttk.Label(win_frame, text='Most recent version of the source code can be found at:', wraplength=320,
+ justify='left')
+ text3.grid(column=0, row=3, padx=8, pady=8, sticky='w')
+ text4 = tk.Text(win_frame, width=50, height=1, wrap='word', bg=colors['background'])
+ source_link = 'git.pg.edu.pl/p174235/rapi'
+ text4.grid(column=0, row=4, padx=8, pady=8, sticky='w')
+ text4.insert(tk.END, source_link)
+ text5 = ttk.Label(win_frame, text='Š 2024 P. Nowak, W. Wojnowski, N. Manousi, V. Samanidou, J. PĹotka-Waskylka, '\
+ 'available under the MIT License', wraplength=380,
+ justify='left')
+ text5.grid(column=0, row=5, padx=8, pady=8, sticky='w')
+
+
+def create_menu():
+ menu = tk.Menu()
+ root.config(menu=menu)
+ file_menu = tk.Menu(menu)
+ file_menu.config(background=colors['background'],
+ activeborderwidth=5,
+ activeforeground=colors['text'],
+ foreground=colors['text'],
+ tearoff=0)
+
+ file_menu.add_command(label='Save the image', command=save_image)
+ file_menu.add_command(label='Re-set', command=reset_scores)
+ about_menu = tk.Menu(menu)
+ about_menu.config(background=colors['background'],
+ activeborderwidth=5,
+ activeforeground=colors['text'],
+ foreground=colors['text'],
+ tearoff=0)
+ menu.add_cascade(label='File', menu=file_menu)
+ menu.add_cascade(label='About', menu=about_menu)
+ about_menu.add_command(label='Info', command=call_info_popup)
+
+
+create_menu()
+
+coordinates = {
+ 0: [(-8.719, 12), (-14.107, -4.584), (0, -14.833), (14.107, -4.584), (8.719, 12)],
+ 1: [(8.719, 12), (21.796, 30), (-21.796, 30), (-8.719, 12)],
+ 2: [(20.497, 34), (8.199, 50.927), (-8.199, 50.927), (-20.497, 34)],
+ 3: [(-14.107, -4.584), (-35.267, -11.459), (0, -37.082), (0, -14.833)],
+ 4: [(0, -14.833), (0, -37.082), (35.267, -11.459), (14.107, -4.584)],
+ 5: [(14.107, -4.584), (35.267, -11.459), (21.796, 30), (8.719, 12)],
+ 6: [(-8.719, 12), (-21.796, 30), (-35.267, -11.459), (-14.107, -4.584)],
+ 7: [(-26.002, 30), (-45.901, 23.535), (-50.968, 7.94), (-38.67, -8.987)],
+ 8: [(38.67, -8.987), (50.968, 7.94), (45.901, 23.535), (26.002, 30)],
+ 9: [(-36.567, -15.459), (-36.567, -36.382), (-23.301, -46.02), (-3.402, -39.554)],
+ 10: [(36.567, -15.459), (36.567, -36.382), (23.301, -46.02), (3.402, -39.554)],
+}
+
+color_values = {
+ 'white': 0,
+ '#fff5f0': 2.5,
+ '#fca183': 5,
+ '#e53228': 7.5,
+ '#67000d': 10}
+
+# Create the two main frames of the GUI
+left_frame = tk.Frame(root, bd=0, padx=2, pady=0, width=500, height=500, bg=colors['foreground'],
+ highlightbackground=colors['background'], highlightthickness=8)
+left_frame.pack(side='left', anchor='n', fill='both', expand=True)
+
+right_frame = tk.Frame(root, bd=0, padx=2, pady=0, width=500, height=500, bg=colors['background'],
+ highlightbackground=colors['background'], highlightthickness=8,
+ highlightcolor=colors['background'])
+right_frame.pack(side='right', anchor='n')
+
+
+class Criterion:
+ def __init__(self, number):
+ self.number = number
+ self.valuevar = tk.DoubleVar()
+ self.valuevar.set(0.0)
+ self.color = tk.StringVar()
+ self.color.set('white')
+ self.optionvar = tk.StringVar()
+ self.optionvar.set('select')
+ self.coordinates = coordinates[number]
+
+
+criteria = []
+for i in range(0, 11):
+ criteria.append(Criterion(i))
+
+
+def clear_frame(frame):
+ frame.destroy()
+ global right_frame
+ right_frame = tk.Frame(root, bd=0, padx=2, pady=0, width=500, height=500, bg=colors['foreground'],
+ highlightbackground=colors['background'], highlightthickness=8,
+ highlightcolor=colors['background'])
+ right_frame.pack(side='right', anchor='n')
+
+
+def calculate_score():
+ active_criteria = criteria[1:9] if chromatography_var.get() == 'no' else criteria[1:11]
+ score = sum(color_values[c.color.get()] for c in active_criteria)
+ return round(score / len(active_criteria) * 10, 1)
+
+
+def create_plot(event=None):
+ plt.close()
+ clear_frame(right_frame)
+
+ fig, ax = plt.subplots(figsize=(10, 10), dpi=150, facecolor=colors['foreground'])
+
+ for i, criterion in enumerate(criteria[1:], start=1):
+ face_color = criterion.color.get()
+ edge_color = 'black'
+ if chromatography_var.get() == 'no' and i in (9, 10):
+ edge_color = 'white'
+ face_color = 'white' # Hide polygons for criteria 9 and 10
+
+ polygon = plt.Polygon(criterion.coordinates, facecolor=face_color, edgecolor=edge_color,
+ joinstyle='round')
+ ax.add_patch(polygon)
+
+ ax.autoscale()
+ ax.set_aspect('equal')
+ center_score = calculate_score()
+
+ central_polygon_color = 'white' if center_score == 0 else colormaps['Reds'](int(255 * (center_score / 100)))
+ central_polygon = plt.Polygon(criteria[0].coordinates, facecolor=central_polygon_color, edgecolor='black')
+ ax.add_patch(central_polygon)
+
+ text_color = 'white' if center_score >= 80 else 'black'
+ ax.text(0, 0, str(center_score), ha='center', va='center', fontsize=14, color=text_color)
+
+ ax.axis('off')
+
+ canvas = FigureCanvasTkAgg(figure=fig, master=right_frame)
+ plot_widget = canvas.get_tk_widget()
+ plot_widget.pack(side='top', padx=8, pady=8)
+
+
+class Dropdown:
+ def __init__(self, criterion, options, label_text, row):
+ self.var = criterion.color
+ self.options = options
+ self.row = row
+ self.dropdown_var = tk.StringVar(value='not confirmed')
+
+ # Create the dropdown menu
+ self.dropdown_menu = ttk.OptionMenu(left_frame, self.dropdown_var, self.dropdown_var.get(),
+ *self.options.keys())
+ self.dropdown_menu.config(width=50) # Adjust the width here
+ self.dropdown_menu.grid(row=self.row + 1, column=0, padx=8, sticky='W')
+
+ # Initialize label
+ self.label = ttk.Label(left_frame, text=label_text)
+ self.label.grid(row=self.row, column=0, padx=8, sticky='W')
+
+ # Overlay label for inactive state
+ # Using a lighter gray to ensure text remains visible
+ self.overlay = tk.Label(left_frame, bg='#DDDDDD', width=20, height=1)
+ self.overlay.place_forget() # Initially hidden
+
+ # Trace changes
+ self.dropdown_var.trace('w', self.change_dropdown)
+
+ def change_dropdown(self, *args):
+ self.var.set(self.options[self.dropdown_var.get()])
+ create_plot()
+
+ def reset_option(self):
+ self.dropdown_var.set('not confirmed')
+ self.var.set('white')
+
+ def set_inactive(self, inactive=True):
+ if inactive:
+ self.overlay.place(in_=self.dropdown_menu, relwidth=1, relheight=1)
+ else:
+ self.overlay.place_forget()
+
+
+def toggle_chromatography(*args):
+ if chromatography_var.get() == 'yes':
+ dropdown9.label.config(foreground=colors['text']) # Active state color
+ dropdown10.label.config(foreground=colors['text'])
+ dropdown9.dropdown_menu.config(state='normal')
+ dropdown10.dropdown_menu.config(state='normal')
+ dropdown9.set_inactive(False)
+ dropdown10.set_inactive(False)
+ else:
+ dropdown9.reset_option()
+ dropdown10.reset_option()
+ dropdown9.dropdown_menu.config(state='disabled')
+ dropdown10.dropdown_menu.config(state='disabled')
+ dropdown9.label.config(foreground=colors['inactive']) # Inactive state color
+ dropdown10.label.config(foreground=colors['inactive'])
+ dropdown9.set_inactive(True)
+ dropdown10.set_inactive(True)
+ create_plot()
+
+
+
+# Dropdowns
+dropdown1 = Dropdown(criterion=criteria[1], options={
+ 'not confirmed': 'white',
+ 'error > 20%': '#fff5f0',
+ '10% < error ⤠20%': '#fca183',
+ '5% < error ⤠10%': '#e53228',
+ 'error ⤠5%': '#67000d'},
+ row=1,
+ label_text='1. Trueness (relative error, %)')
+
+dropdown2 = Dropdown(criterion=criteria[2], options={
+ 'not confirmed': 'white',
+ 'recovery < 80%, recovery > 120%': '#fff5f0',
+ 'recovery â (80% : 90%âŠ, â¨110% : 120%)': '#fca183',
+ 'recovery â (90% : 95%âŠ, â¨105% : 110%)': '#e53228',
+ 'recovery > 95%, recovery < 105%': '#67000d'},
+ row=3,
+ label_text='2. Recovery (%)')
+
+dropdown3 = Dropdown(criterion=criteria[3], options={
+ 'not confirmed': 'white',
+ 'RSD > 20%': '#fff5f0',
+ '10% < RSD ⤠20%': '#fca183',
+ '5% < RSD ⤠10%': '#e53228',
+ 'RSD ⤠5%': '#67000d'},
+ row=5, label_text='3. Intra-day precision (RSD, %)')
+
+dropdown4 = Dropdown(criterion=criteria[4], options={
+ 'not confirmed': 'white',
+ 'RSD > 25%': '#fff5f0',
+ '15% < RSD ⤠25%': '#fca183',
+ '7% < RSD ⤠15%': '#e53228',
+ 'RSD ⤠7%': '#67000d'},
+ row=7, label_text='4. Inter-day precision (RSD, %)')
+
+dropdown5 = Dropdown(criterion=criteria[5], options={
+ 'not confirmed': 'white',
+ 'LOQ > 50% e.c.': '#fff5f0',
+ '10% e.c. < LOQ ⤠50% e.c.': '#fca183',
+ '1% e.c. < LOQ ⤠10% e.c.': '#e53228',
+ 'LOQ ⤠1% e.c.': '#67000d'},
+ row=9, label_text='5. LOQ (%)')
+
+dropdown6 = Dropdown(criterion=criteria[6], options={
+ 'not confirmed': 'white',
+ '< (LOQ : 10ĂLOQ)': '#fff5f0',
+ '⼠(LOQ : 10ĂLOQ), ⤠(LOQ : 30ĂLOQ)': '#fca183',
+ '⼠(LOQ : 30ĂLOQ), ⤠(LOQ : 100ĂLOQ)': '#e53228',
+ '> (LOQ : 100ĂLOQ)': '#67000d'},
+ row=11, label_text='6. Calibration (linearity) range')
+
+dropdown7 = Dropdown(criterion=criteria[7], options={
+ 'not confirmed': 'white',
+ 'linearity < 0.900': '#fff5f0',
+ '0.990 > linearity ⼠0.900': '#fca183',
+ '0.999 > linearity ⼠0.990': '#e53228',
+ 'linearity ⼠0.999': '#67000d'},
+ row=13, label_text='7. Linearity (R2)')
+
+dropdown8 = Dropdown(criterion=criteria[8], options={
+ 'not confirmed': 'white',
+ 'confirmed against 1 factor': '#fff5f0',
+ 'confirmed against 2 factors': '#fca183',
+ 'confirmed against 3 factors': '#e53228',
+ 'confirmed against > 3 factors': '#67000d'},
+ row=15, label_text='8. Robustness')
+
+chrom_label = ttk.Label(left_frame, text='Does the method involve chromatographic separation?')
+chrom_label.grid(row=17, column=0, padx=8, sticky='W')
+
+chromatography_var = tk.StringVar(value='no')
+chrom_radio1 = ttk.Radiobutton(left_frame, text='Yes', variable=chromatography_var, value='yes', style='TRadiobutton')
+chrom_radio2 = ttk.Radiobutton(left_frame, text='No', variable=chromatography_var, value='no', style='TRadiobutton')
+chrom_radio1.grid(row=18, column=0, sticky='W', padx=8)
+chrom_radio2.grid(row=18, column=0, sticky='W', padx=58)
+
+# Configure the radio buttons to avoid dark frame highlight on selection
+chrom_radio1.configure(takefocus=False)
+chrom_radio2.configure(takefocus=False)
+
+chromatography_var.trace('w', toggle_chromatography)
+
+dropdown9 = Dropdown(criterion=criteria[9], options={
+ 'not confirmed': 'white',
+ '⤠1 000': '#fff5f0',
+ 'â (1 000 : 10 000âŠ': '#fca183',
+ 'â (10 000 : 100 000âŠ': '#e53228',
+ '> 100 000': '#67000d'},
+ row=19, label_text='9. Mean no. of theoretical plates')
+
+dropdown10 = Dropdown(criterion=criteria[10], options={
+ 'not confirmed': 'white',
+ 'resolution < 0.5': '#fff5f0',
+ '1.0 > resolution ⼠0.5': '#fca183',
+ '1.5 > resolution ⼠1.0': '#e53228',
+ 'resolution ⼠1.5': '#67000d'},
+ row=21, label_text='10. Resolution of the worst-separated peaks')
+
+# Set initial states for dropdown labels and states
+toggle_chromatography()
+
+dropdowns = [dropdown1, dropdown2, dropdown3, dropdown4, dropdown5, dropdown6, dropdown7, dropdown8, dropdown9,
+ dropdown10]
+
+create_plot()
+
+
+def main():
+ while True:
+ root.mainloop()
+
+
+main()
--
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