import tkinter as tk
from tkinter import ttk
from tkinter import messagebox
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('BAGI beta 0.9')
root.geometry('760x500')
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'}
# configure the background:
root.configure(bg=colors['background'], padx=0, pady=0)
# create and configure a style to be used in tabs and labels
s = ttk.Style()
s.theme_create("BAGI_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'}},
'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('BAGI_theme', relief='flat',
background=colors['background'],
foreground=colors['text'],
insertcolor=colors['text'],
selectbackground=colors['accent']
)
s.theme_use("BAGI_theme")
def save_image():
ftypes = [('PNG file', '.png'), ('SVG file', '.svg'), ('All files', '*')]
filename = filedialog.asksaveasfilename(filetypes=ftypes, defaultextension='.png')
# save the plot in the specified path; the 'tight' option removes the whitespace from around the figure:
plt.savefig(filename, bbox_inches='tight', dpi=300)
def reset_scores():
for criterion in criteria:
criterion.valuevar.set(2.5)
for dropdown in [dropdown1, dropdown2, dropdown3, dropdown4, dropdown5, dropdown6, dropdown7, dropdown8,
dropdown9, dropdown10]:
dropdown.dropdown_var.set('Select')
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='The Blue Applicability Grade Index (BAGI) is a metric tool for evaluating the practicability of a method in analytical chemistry and scoring them from 25 to 100 (the higher the score, the more practical the method). It can be used to quickly find the strong and weak points of a method in terms of its applicability and to compare the performance of different analytical methods.',
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 BAGI, 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=5, wrap='word', bg=colors['background'])
citation = 'N. Manousi, W. Wojnowski, J. Płotka-Wasylka, V. Samanidou, Blue Applicability Grade Index'\
'(BAGI) and Software: A new tool for the evaluation of method’s practicality, ' \
'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/bagi'
text4.grid(column=0, row=4, padx=8, pady=8, sticky='w')
text4.insert(tk.END, source_link)
text5 = ttk.Label(win_frame, text='© 2023 N. Manousi, W. Wojnowski, J. Płotka-Wasylka, V. Samanidou 2023, '
'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 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 of the polygon vertices
'''
coordinates = {
0: [(0, -14.833), (14.107, -4.584), (8.719, 12), (-8.719, 12), (-14.107, -4.584)],
1: [(8.719, 12), (21.796, 30.00), (-21.796, 30), (-8.719, 12)],
2: [(-8.719, 12), (-21.794, 30), (-35.267, -11.459), (-14.107, -4.584)],
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: [(35.267, -11.459), (14.107, -4.584), (8.719, 12.00), (21.796, 30)],
6: [(20.497, 34), (0, 62.22), (-20.497, 34)],
7: [(-26, 30), (-59.179, 19.215), (-38.67, -8.987)],
8: [(-36.578, -15.474), (-36.578, -50.345), (-3.4, -39.554)],
9: [(36.578, -15.474), (36.578, -50.345), (3.4, -39.554)],
10: [(26, 30), (59.179, 19.215), (38.67, -8.987)],
}
colors_list = {
2.5: 'white',
5.0: (0.6768166089965398, 0.8164705882352941, 0.9023760092272203, 1.0),
7.5: (0.22380622837370245, 0.5375317185697808, 0.7584313725490196, 1.0),
10.0: (0.03137254901960784, 0.18823529411764706, 0.4196078431372549, 1.0),
}
# 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(2.5)
self.optionvar = tk.StringVar()
self.optionvar.set('select')
self.coordinates = coordinates[number]
'''
Create the 10 criteria values (11 counting the central field). They can be
later called as list elements, e.g. to get the value of criterion 3:
criteria[2].textvar.get()
'''
criteria = []
for i in range(0, 11):
criteria.append(Criterion(i))
'''
a function for restarting the right frame (to clear the memory after each change)
it is then used when there is a need to change the plot
'''
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():
score = 0
for criterion in criteria[1:]:
score += criterion.valuevar.get()
return round(score, 1)
def create_plot(event=None):
# the event=None is passed so that the entry.bind
# does not return a positional argument;
# close the current plot window (otherwise the generated plots remain open in the memory):
plt.close()
# re-generate the frame:
clear_frame(right_frame)
fig, ax = plt.subplots(figsize=(5, 5), dpi=150, facecolor=colors['foreground'])
for criterion in criteria[1:]:
polygon = plt.Polygon(criterion.coordinates,
facecolor=colors_list[criterion.valuevar.get()],
edgecolor='black')
ax.add_patch(polygon)
ax.autoscale()
ax.set_aspect('equal')
center_score = calculate_score()
if center_score == 25:
central_polygon = plt.Polygon(criteria[0].coordinates,
facecolor='white',
edgecolor='black')
else:
central_polygon = plt.Polygon(criteria[0].coordinates,
facecolor=colormaps['Blues'](int(255 * (center_score - 25) / 75)),
edgecolor='black')
ax.add_patch(central_polygon)
if center_score >= 80:
ax.text(0, 0, str(center_score), ha='center', va='center', fontsize=10, color='white')
else:
ax.text(0, 0, str(center_score), ha='center', va='center', fontsize=10, color='black')
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.valuevar
self.options = options
self.row = row
self.dropdown_var = tk.StringVar()
self.dropdown_var.set('Select')
self.dropdown = ttk.OptionMenu(left_frame, self.dropdown_var, self.dropdown_var.get(), *self.options.keys())
self.dropdown.grid(row=self.row + 1, column=0, padx=8, sticky='W')
self.dropdown_var.trace('w', self.change_dropdown)
self.label = ttk.Label(left_frame, text=label_text)
self.label.grid(row=self.row, column=0, padx=8, sticky='W')
def change_dropdown(self, *args):
self.var.set(self.options[self.dropdown_var.get()])
create_plot()
'''
Populate the dropdowns
'''
dropdown1 = Dropdown(criterion=criteria[1], options={
'Qualitative': 2.5,
'Screening': 5.0,
'Quantitative': 7.5,
'Quantitative and Confirmatory': 10.0}, row=1,
label_text='1. Type of Analysis')
dropdown2 = Dropdown(criterion=criteria[2], options={
'Single Element': 2.5,
'Multi-element analysis for 2-5 compounds of the same chemical class': 5.0,
'Multi-element analysis for 6-15 compounds of the same chemical group or 2-15 compounds of different chemical '
'classes': 7.5,
'Multi-element analysis for > 15 compounds': 10.0}, row=3,
label_text='2. Multi- or single-element analysis')
dropdown3 = Dropdown(criterion=criteria[3], options={
'Instrumentation that is not commonly available in most labs (SFC, 2D-GC, 2D-LC, LC-MS/MS, GC-MS/MS, etc.)': 2.5,
'Sophisticated instrumentation (LC-MS, GC-MS, ICP-MS, homemade interfaces, homemade automatic systems, etc.)': 5.0,
'Simple instrumentation available in most labs (UV, HPLC-UV, HPLC-DAD, UHPLC, FAAS, ETAAS, ICP-OES, GC-FID etc.)': 7.5,
'Simple in operation portable instrumentation (smart-phone based detectors, portable GC, etc.)': 10.0},
row=5, label_text='3. Analytical technique')
dropdown4 = Dropdown(criterion=criteria[4], options={
'1': 2.5,
'2-12': 5.0,
'13-95': 7.5,
'≥96': 10.0},
row=7, label_text='4. Simultaneous sample preparation')
dropdown5 = Dropdown(criterion=criteria[5], options={
'Multi-step sample preparation required (e.g. LLE, SPE and/or derivatization)': 2.5,
'Miniaturized extraction sample preparation (SPME, DLLME, MEPS, SBSE, d-SPE, FPSE, etc.)': 5.0,
'Simple, low-cost sample preparation required (e.g. protein precipitation)': 7.5,
'Not required or on-site sample preparation if required': 10.0},
row=9, label_text='5. Sample preparation')
dropdown6 = Dropdown(criterion=criteria[6], options={
'≤1': 2.5,
'2-4': 5.0,
'5-10': 7.5,
'>10': 10.0},
row=11, label_text='6. Samples per hour')
dropdown7 = Dropdown(criterion=criteria[7], options={
'Need to be synthesized in the lab with advanced equipment or know-how (specially designed metal-organic frameworks, modified nanomaterials, etc.)': 2.5,
'Need to be synthesized in the lab with common instrumentation and in a simple way': 5.0,
'Commercially available reagents not common in QC labs (derivatization reagents, SPE cartridges, SPME fibers, etc.)': 7.5,
'Common commercially available reagents (e.g. methanol, acetonitrile, HNO3, etc.)': 10.0},
row=13, label_text='7. Reagents and materials')
dropdown8 = Dropdown(criterion=criteria[8], options={
'Preconcentration required. Legislation criteria met after complicated stages (e.g. extraction, evaporation, and reconstitution).': 2.5,
'Preconcentration required. Required sensitivity is met with one-step preconcentration.': 7.5,
'No preconcentration required. Required sensitivity and /or legislation criteria are met directly.': 10.0},
row=15, label_text='8. Fit-for-purpose')
dropdown9 = Dropdown(criterion=criteria[9], options={
'Manual treatment and analysis': 2.5,
'Semi-automated with non-common devices (e.g. homemade systems)': 5.0,
'Semi-automated with common devices (e.g. HPLC autosampler)': 7.5,
'Fully automated with novel technology advanced devices (robotics, lab-in-syringe, etc.)': 10.0},
row=17, label_text='9. Degree of automation')
dropdown10 = Dropdown(criterion=criteria[10], options={
'>1000 μL (or mg) bioanalytical samples; >100 mL (or g) food/environmental': 2.5,
'501-1000 μL (or mg) bioanalytical samples; 50.1-100 mL (or g) food/environmental': 5.0,
'100-500 μL (or mg) bioanalytical samples; 10-50 ml (or g) food/environmental': 7.5,
'<100 μL (or mg) bioanalytical samples; <10 mL (or g) food/environmental': 10.0},
row=19, label_text='10. Amount of sample')
# start the GUI with a default plot
create_plot()
def main():
while True:
root.mainloop()
main()