From a1dbb4f3acb3e4c45e54e7bb04240712bb8f0afa Mon Sep 17 00:00:00 2001
From: Wojciech Wojnowski <wojciech.wojnowski@pg.edu.pl>
Date: Fri, 14 Feb 2025 06:59:01 +0000
Subject: [PATCH] Update main.py after journal review
---
main.py | 836 +++++++++++++++++++++++++++++++++-----------------------
1 file changed, 487 insertions(+), 349 deletions(-)
diff --git a/main.py b/main.py
index 4ed6b1b..4be8d32 100644
--- a/main.py
+++ b/main.py
@@ -1,416 +1,554 @@
import tkinter as tk
-from tkinter import ttk
+from tkinter import ttk, filedialog
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')
+# =============================================================================
+# GLOBAL SETTINGS, COLORS, AND STYLE
+# =============================================================================
-# Define the color palette. This can be based on https://materialui.co/colors
colors = {
'foreground': '#ffffff',
'background': '#EEEEEE',
- 'accent': '#FFCC80',
+ 'accent': '#CBE8ED',
'text': 'black',
- 'inactive': '#AAAAAA' # Grayed-out color for inactive elements
+ 'inactive': '#AAAAAA' # For grayed-out elements
}
-# Configure the background:
-root.configure(bg=colors['background'], padx=0, pady=0)
+root = tk.Tk()
+root.title('RAPI beta v.0.9')
+root.geometry('1000x630')
+root.resizable(False, False)
+root.iconbitmap('Icon.ico')
+root.configure(bg=colors['background'])
-# Create and configure a style to be used in tabs, labels, and other elements
+# Create and apply a custom style
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'],
- }},
+ 'TLabel': {'configure': {'background': colors['foreground'],
+ 'foreground': colors['text'],
+ 'padding': [0, 5, 7, 0]}},
+ 'TFrame': {'configure': {'background': colors['foreground'],
+ 'borderwidth': 0}},
+ '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']
- )
-
+ selectbackground=colors['accent'])
s.theme_use("RAPI_theme")
+# Map disabled menubutton appearance so that inactive dropdowns use pale grey (#DDDDDD)
+s.map("Disabled.TMenubutton",
+ foreground=[("disabled", colors["inactive"])],
+ background=[("disabled", "#DDDDDD")])
-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()
+# Mapping from color names to numerical values.
+color_values = {
+ 'white': 0,
+ 'white_Kedge': 0,
+ '#fff5f0': 2.5,
+ '#fca183': 5,
+ '#e53228': 7.5,
+ '#67000d': 10
+}
+# =============================================================================
+# COORDINATE DATA (modify later if needed)
+# =============================================================================
-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')
+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': [(-8.719, 12), (-21.796, 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': [(14.107, -4.584), (35.267, -11.459), (21.796, 30), (8.719, 12)],
+ '6': [(20.497, 34), (8.199, 50.927), (-8.199, 50.927), (-20.497, 34)],
+ '7': [(-26.002, 30), (-45.901, 23.535), (-50.968, 7.94), (-38.67, -8.987)],
+ '8': [(-36.567, -15.459), (-36.567, -36.382), (-23.301, -46.02), (-3.402, -39.554)],
+ '9': [(36.567, -15.459), (36.567, -36.382), (23.301, -46.02), (3.402, -39.554)],
+ '10': [(38.67, -8.987), (50.968, 7.94), (45.901, 23.535), (26.002, 30)],
+}
+# Use a simple mapping (adjust later if needed)
+coord_keys = {i: str(i) for i in range(11)}
+
+# =============================================================================
+# OPTION DICTIONARIES
+# =============================================================================
+
+crit1_table = {
+ "c ⤠100%": ['⼠2.0', '< 2.0', '< 1.5', '< 1', '< 0.5'],
+ "c ⤠10%": ['⼠2.8', '< 2.8', '< 2.1', '< 1.4', '< 0.7'],
+ "c ⤠1%": ['⼠4.0', '< 4.0', '< 3', '< 2', '< 1.0'],
+ "c ⤠0.1%": ['⼠5.7', '< 5.7', '< 4.275', '< 2.85', '< 1.425'],
+ "c ⤠0.01%": ['⼠8.0', '< 8.0', '< 6.0', '< 4.0', '< 2.0'],
+ "c ⤠0.001%": ['⼠11.3', '< 11.3', '< 8.475', '< 5.65', '< 2.825'],
+ "c ⤠0.0001% (1 ppm)": ['⼠16.0', '< 16.0', '< 12.0', '< 8.0', '< 4.0'],
+ "c ⤠0.00001%": ['⼠22.6', '< 22.6', '< 16.95', '< 11.3', '< 5.65'],
+ "c ⤠0.000001%": ['⼠32.0', '< 32.0', '< 24.0', '< 16.0', '< 8.0'],
+ "c ⤠0.0000001% (1 ppb)": ['⼠45.3', '< 45.3', '< 33.975', '< 22.65', '< 11.325']
+}
+crit2_table = {
+ "c ⤠100%": ['⼠2.5', '< 2.5', '< 2.0', '< 1.5', '< 1.0'],
+ "c ⤠10%": ['⼠3.5', '< 3.5', '< 2.8', '< 2.1', '< 1.4'],
+ "c ⤠1%": ['⼠5.0', '< 5.0', '< 4.0', '< 3.0', '< 2.0'],
+ "c ⤠0.1%": ['⼠7.1', '< 7.1', '< 5.7', '< 4.3', '< 2.9'],
+ "c ⤠0.01%": ['⼠10.0', '< 10.0', '< 8.0', '< 6.0', '< 4.0'],
+ "c ⤠0.001%": ['⼠14.1', '< 14.1', '< 11.3', '< 8.5', '< 5.7'],
+ "c ⤠0.0001% (1 ppm)": ['⼠20.0', '< 20.0', '< 12.0', '< 16.0', '< 8.0'],
+ "c ⤠0.00001%": ['⼠28.3', '< 28.3', '< 22.6', '< 17', '< 11.3'],
+ "c ⤠0.000001%": ['⼠40.0', '< 40.0', '< 24.0', '< 32.0', '< 16.0'],
+ "c ⤠0.0000001% (1 ppb)": ['⼠56.6', '< 56.6', '< 45.3', '< 34.0', '< 22.7']
+}
-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)
+crit3_table = {
+ "c ⤠100%": ['⼠3.0', '< 3.0', '< 2.5', '< 2.0', '< 1.5'],
+ "c ⤠10%": ['⼠4.2', '< 4.2', '< 3.5', '< 2.8', '< 2.1'],
+ "c ⤠1%": ['⼠6.0', '< 6.0', '< 5.0', '< 4.0', '< 3.0'],
+ "c ⤠0.1%": ['⼠8.6', '< 8.6', '< 7.1', '< 5.7', '< 4.3'],
+ "c ⤠0.01%": ['⼠12.0', '< 12.0', '< 10.0', '< 8.0', '< 6.0'],
+ "c ⤠0.001%": ['⼠17.0', '< 17.0', '< 14.1', '< 11.3', '< 8.5'],
+ "c ⤠0.0001% (1 ppm)": ['⼠24.0', '< 24.0', '< 20.0', '< 16.0', '< 12.0'],
+ "c ⤠0.00001%": ['⼠33.9', '< 33.9', '< 28.3', '< 22.6', '< 17.0'],
+ "c ⤠0.000001%": ['⼠48.0', '< 48.0', '< 40.0', '< 32.0', '< 24.0'],
+ "c ⤠0.0000001% (1 ppb)": ['⼠68.0', '< 68.0', '< 56.6', '< 45.3', '< 34.0']
+}
- 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)
+crit4_table = {
+ "c ⤠100%": ['⼠3.0', '< 3.0', '< 2.0', '< 1.0', '< 1.0, confirmed with CRMs'],
+ "c ⤠10%": ['⼠3.0', '< 3.0', '< 2.0', '< 1.0', '< 1.0, confirmed with CRMs'],
+ "c ⤠1%": ['⼠5.0', '< 5.0', '< 3.0', '< 2.0', '< 2.0, confirmed with CRMs'],
+ "c ⤠0.1%": ['⼠10.0', '< 10.0', '< 5.0', '< 3.0', '< 3.0, confirmed with CRMs'],
+ "c ⤠0.01%": ['⼠20.0', '< 20.0', '< 10.0', '< 5.0', '< 5.0, confirmed with CRMs'],
+ "c ⤠0.001%": ['⼠40.0', '< 40.0', '< 20.0', '< 10.0', '< 10.0, confirmed with CRMs'],
+ "c ⤠0.0001% (1 ppm)": ['⼠40.0', '< 40.0', '< 20.0', '< 10.0', '< 10.0, confirmed with CRMs'],
+ "c ⤠0.00001%": ['⼠40.0', '< 40.0', '< 20.0', '< 10.0', '< 10.0, confirmed with CRMs'],
+ "c ⤠0.000001%": ['⼠60.0', '< 60.0', '< 40.0', '< 20.0', '< 20.0, confirmed with CRMs'],
+ "c ⤠0.0000001% (1 ppb)": ['⼠80.0', '< 80.0', '< 60.0', '< 40.0', '< 40.0, confirmed with CRMs']
+}
+crit5_table = {
+ "c ⤠100%": ['⤠97, ⼠103', '> 97, < 103; ME study optional', '> 98, < 102; ME study optional',
+ '> 99, < 101; acceptable ME', '> 99.5, < 100.5; weak ME'],
+ "c ⤠10%": ['⤠97, ⼠103', '> 97, < 103; ME study optional', '> 98, < 102; ME study optional',
+ '> 99, < 101; acceptable ME', '> 99.5, < 100.5; weak ME'],
+ "c ⤠1%": ['⤠95, ⼠105', '> 95, < 105; ME study optional', '> 97, < 103; ME study optional',
+ '> 98, < 102; acceptable ME', '> 99, < 101; weak ME'],
+ "c ⤠0.1%": ['⤠90, ⼠107', '> 90, < 107; ME study optional', '> 95, < 105; ME study optional',
+ '> 97, < 103; acceptable ME', '> 98, < 102; weak ME'],
+ "c ⤠0.01%": ['⤠80, ⼠110', '> 80, < 110; ME study optional', '> 90, < 107; ME study optional',
+ '> 95, < 105; acceptable ME', '> 97, < 103; weak ME'],
+ "c ⤠0.001%": ['⤠60, ⼠115', '> 60, < 115; ME study optional', '> 80, < 110; ME study optional',
+ '> 90, < 107; acceptable ME', '> 95, < 105; weak ME'],
+ "c ⤠0.0001% (1 ppm)": ['⤠60, ⼠115', '> 60, < 115; ME study optional', '> 80, < 110; ME study optional',
+ '> 90, < 107; acceptable ME', '> 95, < 105; weak ME'],
+ "c ⤠0.00001%": ['⤠60, ⼠115', '> 60, < 115; ME study optional', '> 80, < 110; ME study optional',
+ '> 90, < 107; acceptable ME', '> 95, < 105; weak ME'],
+ "c ⤠0.000001%": ['⤠40, ⼠120', '> 40, < 120; ME study optional', '> 60, < 115; ME study optional',
+ '> 80, < 110; acceptable ME', '> 90, < 107; weak ME'],
+ "c ⤠0.0000001% (1 ppb)": ['⤠20, ⼠130', '> 20, < 130; ME study optional', '> 40, < 120; ME study optional',
+ '> 60, < 115; acceptable ME', '> 80, < 110; weak ME']
+}
-create_menu()
+crit6_options = {
+ 'not tested': 'white_Kedge',
+ 'LOQ ⼠25%': 'white_Kedge',
+ 'LOQ < 25%': '#fff5f0',
+ 'LOQ < 10%': '#fca183',
+ 'LOQ < 3%': '#e53228',
+ 'LOQ < 1%': '#67000d'
+}
-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)],
+crit7_options = {
+ 'not tested': 'white_Kedge',
+ 'narrower than 5ĂLOQ': 'white_Kedge',
+ 'wider than 5ĂLOQ': '#fff5f0',
+ 'wider than 10ĂLOQ': '#fca183',
+ 'wider than 30ĂLOQ': '#e53228',
+ 'wider than 100ĂLOQ': '#67000d'
}
-color_values = {
- 'white': 0,
- '#fff5f0': 2.5,
- '#fca183': 5,
- '#e53228': 7.5,
- '#67000d': 10}
+crit8_options = {
+ 'not tested': 'white_Kedge',
+ 'R^2 ⤠0.90': 'white_Kedge',
+ 'R^2 > 0.90': '#fff5f0',
+ 'R^2 > 0.94': '#fca183',
+ 'R^2 > 0.97': '#e53228',
+ 'R^2 > 0.99': '#67000d'
+}
-# 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)
+crit9_options = {
+ 'not demonstrated': 'white_Kedge',
+ 'demonstrated for 1 factor': '#fff5f0',
+ 'demonstrated for 2 factors': '#fca183',
+ 'demonstrated for 3 factors': '#e53228',
+ 'demonstrated for 5 or more factors': '#67000d'
+}
-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')
+crit10_options = {
+ 'not demonstrated': 'white_Kedge',
+ 'demonstrated for 1 potential interferent': '#fff5f0',
+ 'demonstrated for 2 potential interferents': '#fca183',
+ 'demonstrated for 3 potential interferents': '#e53228',
+ 'demonstrated for 5 or more potential interferents': '#67000d'
+}
+# =============================================================================
+# CRITERION CLASS
+# =============================================================================
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]
+ self.color.set('white' if number == 0 else 'white_Kedge')
+# Create 11 Criterion objects (0 is central)
+criteria = [Criterion(i) for i in range(11)]
-criteria = []
-for i in range(0, 11):
- criteria.append(Criterion(i))
+# =============================================================================
+# LAYOUT: MAIN FRAMES
+# =============================================================================
+# Create padding/grey border around the criteria and plot areas.
+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)
-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')
+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')
+# =============================================================================
+# TWO-STAGE DROPDOWN WIDGET (for criteria 1â5)
+# =============================================================================
+
+class TwoStageDropdown:
+ def __init__(self, parent, criterion, label_text, row, table_mapping):
+ self.criterion = criterion
+ self.table_mapping = table_mapping
+ self.concentration_items = [
+ "not tested", "c ⤠100%", "c ⤠10%", "c ⤠1%", "c ⤠0.1%",
+ "c ⤠0.01%", "c ⤠0.001%", "c ⤠0.0001% (1 ppm)",
+ "c ⤠0.00001%", "c ⤠0.000001%", "c ⤠0.0000001% (1 ppb)"
+ ]
+ self.point_colors = {0: 'white_Kedge', 25: '#fff5f0', 50: '#fca183', 75: '#e53228', 100: '#67000d'}
+
+ self.container = tk.Frame(parent, bg=colors['foreground'],
+ highlightbackground='lightgrey', highlightthickness=1)
+ self.container.grid(row=row, column=0, padx=8, pady=4, sticky='EW')
+ self.label = ttk.Label(self.container, text=label_text, background=colors['foreground'])
+ self.label.grid(row=0, column=0, sticky='W', padx=4, pady=(0,2))
+ self.concentration_var = tk.StringVar(value="not tested")
+ self.concentration_menu = ttk.OptionMenu(
+ self.container, self.concentration_var, "not tested", *self.concentration_items,
+ command=self.concentration_changed)
+ self.concentration_menu.config(width=25)
+ self.concentration_menu.grid(row=1, column=0, sticky='W', padx=4, pady=2)
+ self.threshold_var = tk.StringVar(value="")
+ self.threshold_menu = ttk.OptionMenu(self.container, self.threshold_var, "")
+ self.threshold_menu.config(width=25, state='disabled', style='Disabled.TMenubutton')
+ self.threshold_menu.grid(row=1, column=1, padx=(8,4), pady=2, sticky='W')
+ def concentration_changed(self, value):
+ if value == "not tested":
+ self.threshold_var.set("")
+ self.threshold_menu.config(state='disabled', style='Disabled.TMenubutton')
+ self.criterion.color.set('white_Kedge')
+ create_plot()
+ else:
+ options = self.table_mapping.get(value, [])
+ self.threshold_options = {}
+ for point, opt in zip([0, 25, 50, 75, 100], options):
+ self.threshold_options[opt] = self.point_colors[point]
+ menu = self.threshold_menu["menu"]
+ menu.delete(0, "end")
+ for opt in self.threshold_options:
+ menu.add_command(label=opt, command=lambda opt=opt: self.threshold_selected(opt))
+ first_opt = list(self.threshold_options.keys())[0]
+ self.threshold_var.set(first_opt)
+ self.threshold_menu.config(state='normal', style='TMenubutton')
+ self.criterion.color.set(self.threshold_options[first_opt])
+ create_plot()
+ def threshold_selected(self, selection):
+ self.threshold_var.set(selection)
+ self.criterion.color.set(self.threshold_options[selection])
+ create_plot()
+ def reset(self):
+ self.concentration_var.set("not tested")
+ self.threshold_var.set("")
+ self.threshold_menu.config(state='disabled', style='Disabled.TMenubutton')
+ self.criterion.color.set('white_Kedge')
+
+# =============================================================================
+# SINGLE DROPDOWN WIDGET (for criteria 6â10)
+# =============================================================================
+
+class SingleDropdown:
+ def __init__(self, parent, criterion, options, label_text, row):
+ self.criterion = criterion
+ self.options = options
+ self.var = tk.StringVar(value=list(options.keys())[0])
+ self.var.trace('w', self.change_dropdown)
+ self.container = tk.Frame(parent, bg=colors['foreground'],
+ highlightbackground='lightgrey', highlightthickness=1)
+ self.container.grid(row=row, column=0, padx=8, pady=(4,0), sticky='EW')
+ self.label = ttk.Label(self.container, text=label_text, background=colors['foreground'])
+ self.label.pack(anchor='w', padx=4, pady=(2,0))
+ self.dropdown = ttk.OptionMenu(self.container, self.var, self.var.get(), *options.keys())
+ self.dropdown.config(width=45)
+ self.dropdown.pack(anchor='w', padx=4, pady=(0,4))
+ def change_dropdown(self, *args):
+ self.criterion.color.set(self.options[self.var.get()])
+ create_plot()
+ def reset(self):
+ default = list(self.options.keys())[0]
+ self.var.set(default)
+ self.criterion.color.set(self.options[default])
-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)
+# =============================================================================
+# PLOTTING FUNCTION (Unannotated)
+# =============================================================================
+current_fig = None # Global reference to the current figure
-def create_plot(event=None):
+def calculate_score():
+ active_criteria = criteria[1:]
+ total = 0
+ count = 0
+ for crit in active_criteria:
+ col = crit.color.get()
+ if col != 'white':
+ total += color_values.get(col, 0)
+ count += 1
+ score = 0 if count == 0 else total / count * 10
+ return 100 if score == 100 else round(score, 1)
+
+def create_plot():
+ global current_fig
plt.close()
- clear_frame(right_frame)
-
+ for widget in right_frame.winfo_children():
+ widget.destroy()
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')
+ for crit in criteria[1:]:
+ key = coord_keys.get(crit.number, str(crit.number))
+ pts = coordinates.get(key, [])
+ col = crit.color.get()
+ if col == 'white':
+ polygon = plt.Polygon(pts, facecolor=col, edgecolor='white', linewidth=1, joinstyle='round')
+ elif col == 'white_Kedge':
+ polygon = plt.Polygon(pts, facecolor='white', edgecolor='black', linewidth=1, joinstyle='round')
+ else:
+ polygon = plt.Polygon(pts, facecolor=col, edgecolor='black', linewidth=1, joinstyle='round')
ax.add_patch(polygon)
-
+ center_score = calculate_score()
+ center_facecolor = 'white' if center_score == 0 else colormaps['Reds'](int(255 * (center_score / 100)))
+ center_polygon = plt.Polygon(coordinates['0'], facecolor=center_facecolor, edgecolor='black', linewidth=1, joinstyle='round')
+ ax.add_patch(center_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(fig, master=right_frame)
+ canvas.draw()
+ canvas.get_tk_widget().pack(side='top', fill='both', expand=True)
+ current_fig = fig
+ return fig
+
+# =============================================================================
+# ANNOTATED PLOT FUNCTION
+# =============================================================================
+
+def create_annotated_plot():
+ global current_fig
+ plt.close()
+ for widget in right_frame.winfo_children():
+ widget.destroy()
+ fig, ax = plt.subplots(figsize=(10, 17), dpi=150, facecolor=colors['foreground'])
+ for crit in criteria[1:]:
+ key = coord_keys.get(crit.number, str(crit.number))
+ pts = coordinates.get(key, [])
+ col = crit.color.get()
+ if col == 'white':
+ polygon = plt.Polygon(pts, facecolor=col, edgecolor='white', linewidth=0.6, joinstyle='round')
+ elif col == 'white_Kedge':
+ polygon = plt.Polygon(pts, facecolor='white', edgecolor='black', linewidth=0.6, joinstyle='round')
+ else:
+ polygon = plt.Polygon(pts, facecolor=col, edgecolor='black', linewidth=0.6, joinstyle='round')
+ ax.add_patch(polygon)
+ center_score = calculate_score()
+ center_facecolor = 'white' if center_score == 0 else colormaps['Reds'](int(255 * (center_score / 100)))
+ center_polygon = plt.Polygon(coordinates['0'], facecolor=center_facecolor, edgecolor='black', linewidth=0.6, joinstyle='round')
+ ax.add_patch(center_polygon)
+ ax.autoscale()
+ ax.set_aspect('equal')
+ text_color = 'white' if center_score >= 80 else 'black'
+ ax.text(0, 0, str(center_score), ha='center', va='center', fontsize=10, color=text_color)
+ # Add field number annotations.
+ annotations = {
+ '1': (0, 21),
+ '5': (19.972, 6.489),
+ '4': (12.343, -16.989),
+ '3': (-12.343, -16.989),
+ '2': (-19.972, 6.489),
+ '6': (0, 42.463),
+ '10': (40.385, 13.122),
+ '7': (-40.385, 13.122),
+ '9': (24.959, -34.354),
+ '8': (-24.959, -34.354)
+ }
+ for key, pos in annotations.items():
+ try:
+ crit_index = int(key)
+ field_color = criteria[crit_index].color.get()
+ except Exception:
+ field_color = 'white_Kedge'
+ ann_color = 'white' if field_color == '#67000d' else 'black'
+ ax.text(pos[0], pos[1], key, ha='center', va='center', fontsize=6, color=ann_color)
+ caption = (
+ "1. Repeatability\n"
+ "2. Intermediate precision\n"
+ "3. Reproducibility\n"
+ "4. Trueness\n"
+ "5. Recovery, matrix effect\n"
+ "6. LOQ\n"
+ "7. Working range\n"
+ "8. Linearity\n"
+ "9. Ruggedness/robustness\n"
+ "10. Selectivity"
+ )
+ ax.text(56, 0, caption, fontsize=8, va='center', ha='left')
+ current_xlim = ax.get_xlim()
+ ax.set_xlim(current_xlim[0], current_xlim[1] + 60)
+ ax.axis('off')
+ canvas = FigureCanvasTkAgg(fig, master=right_frame)
+ canvas.draw()
+ canvas.get_tk_widget().pack(side='top', fill='both', expand=True)
+ current_fig = fig
+ return fig
- 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()
+# =============================================================================
+# IMAGE SAVING AND MENU FUNCTIONS
+# =============================================================================
- def reset_option(self):
- self.dropdown_var.set('not confirmed')
- self.var.set('white')
+def save_image():
+ ftypes = [('PNG file', '.png'), ('SVG file', '.svg'), ('All files', '*')]
+ filename = filedialog.asksaveasfilename(filetypes=ftypes, defaultextension='.png')
+ if filename:
+ # Save the current figure exactly as displayed.
+ current_fig.savefig(filename, bbox_inches='tight', dpi=300)
- 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)
+def save_annotated_image():
+ fig = create_annotated_plot()
+ ftypes = [('PNG file', '.png'), ('SVG file', '.svg'), ('All files', '*')]
+ filename = filedialog.asksaveasfilename(filetypes=ftypes, defaultextension='.png')
+ if filename:
+ fig.savefig(filename, bbox_inches='tight', dpi=300)
create_plot()
+def reset_scores():
+ for crit in criteria[1:]:
+ crit.color.set('white_Kedge')
+ for ts in two_stage_dropdowns:
+ ts.reset()
+ dropdown6.reset()
+ dropdown7.reset()
+ dropdown8.reset()
+ dropdown9.reset()
+ dropdown10.reset()
+ create_plot()
+def call_info_popup():
+ win = tk.Toplevel()
+ win_frame = tk.Frame(win, width=500, background=colors['foreground'])
+ win_frame.pack()
+ win.wm_title('About and citation info')
+ text0 = ttk.Label(win_frame,
+ text='The Red Analytical Performance Index (RAPI) is a tool for evaluating analytical methods in terms of their performance. It is inspired by the concept of White Analytical Chemistry (WAC).',
+ 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.')
+ 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 Authors, available under the MIT License', wraplength=380,
+ justify='left')
+ text5.grid(column=0, row=5, padx=8, pady=8, sticky='w')
-# 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 create_menu():
+ menu = tk.Menu(root)
+ root.config(menu=menu)
+ file_menu = tk.Menu(menu, tearoff=0)
+ file_menu.add_command(label='Save the image', command=save_image)
+ file_menu.add_command(label='Save annotated image', command=save_annotated_image)
+ file_menu.add_command(label='Reset', command=reset_scores)
+ about_menu = tk.Menu(menu, 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)
-def main():
- while True:
- root.mainloop()
+create_menu()
+# =============================================================================
+# CREATE DROPDOWNS IN SEQUENTIAL ORDER (Fields 1 to 10)
+# =============================================================================
+
+two_stage_dropdowns = []
+two_stage_dropdowns.append(TwoStageDropdown(left_frame, criteria[1],
+ "1. Repeatability",
+ row=1, table_mapping=crit1_table))
+two_stage_dropdowns.append(TwoStageDropdown(left_frame, criteria[2],
+ "2. Intermediate precision",
+ row=2, table_mapping=crit2_table))
+two_stage_dropdowns.append(TwoStageDropdown(left_frame, criteria[3],
+ "3. Reproducibility",
+ row=3, table_mapping=crit3_table))
+two_stage_dropdowns.append(TwoStageDropdown(left_frame, criteria[4],
+ "4. Trueness",
+ row=4, table_mapping=crit4_table))
+two_stage_dropdowns.append(TwoStageDropdown(left_frame, criteria[5],
+ "5. Recovery & matrix effect",
+ row=5, table_mapping=crit5_table))
+dropdown6 = SingleDropdown(left_frame, criteria[6], crit6_options,
+ "6. LOQ (% of expected mean analyte concentraton in the matrix)", row=6)
+dropdown7 = SingleDropdown(left_frame, criteria[7], crit7_options,
+ "7. Working range", row=7)
+dropdown8 = SingleDropdown(left_frame, criteria[8], crit8_options,
+ "8. Simplified linearity estimation", row=8)
+dropdown9 = SingleDropdown(left_frame, criteria[9], crit9_options,
+ "9. Ruggedness/robustness", row=9)
+dropdown10 = SingleDropdown(left_frame, criteria[10], crit10_options,
+ "10. Selectivity", row=10)
+
+# =============================================================================
+# MAIN LOOP
+# =============================================================================
-main()
+create_plot()
+root.mainloop()
--
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