import matplotlib.pyplot as plt
import matplotlib.patches as patches
import os
# Dictionary with parameters for the Cosmetic/Dermal Risk Assessment profile
cosmetic_data = {
"Eye_corrosion": {"bounds": [0, 0.4, 0.7, 1.0], "colors": ["#63C28D", "#FFDF33", "#C14E4E"]},
"Eye_irritation": {"bounds": [0, 0.4, 0.7, 1.0], "colors": ["#63C28D", "#FFDF33", "#C14E4E"]},
"Skin_corrosion": {"bounds": [0, 0.4, 0.7, 1.0], "colors": ["#63C28D", "#FFDF33", "#C14E4E"]},
"Skin_irritation": {"bounds": [0, 0.4, 0.7, 1.0], "colors": ["#63C28D", "#FFDF33", "#C14E4E"]},
"Skin_sensitisation": {"bounds": [0, 0.4, 0.7, 1.0], "colors": ["#63C28D", "#FFDF33", "#C14E4E"]},
"Acute_dermal_toxicity": {"bounds": [0, 0.4, 0.7, 1.0], "colors": ["#63C28D", "#FFDF33", "#C14E4E"]},
"Photoinduced_toxicity": {"bounds": [0, 0.4, 0.7, 1.0], "colors": ["#63C28D", "#FFDF33", "#C14E4E"]},
"Phototoxicity_Photoirritation": {"bounds": [0, 0.4, 0.7, 1.0], "colors": ["#63C28D", "#FFDF33", "#C14E4E"]},
"Photoallergy": {"bounds": [0, 0.4, 0.7, 1.0], "colors": ["#63C28D", "#FFDF33", "#C14E4E"]},
}
def create_cosmetic_bars():
"""
Generates and saves the proportional bar charts for the Cosmetic Risk Assessment parameters.
Handles multiline titles for long parameter names and standardizes layout.
"""
fig_width = 8 / 2.54
fig_height = 1.3 / 2.54
output_dir = "ADMET_Cosmetic_Bars"
os.makedirs(output_dir, exist_ok=True)
bg_color = '#FFFFFF'
for param, info in cosmetic_data.items():
bounds = info["bounds"]
colors = info["colors"]
labels = [str(b) for b in bounds]
fig, ax = plt.subplots(figsize=(fig_width, fig_height))
fig.patch.set_facecolor(bg_color)
ax.set_facecolor(bg_color)
min_val = bounds[0]
max_val = bounds[-1]
# Draw proportional rectangles
for i in range(len(colors)):
start = bounds[i]
width = bounds[i+1] - bounds[i]
rect = patches.Rectangle(
(start, 0), width, 1,
facecolor=colors[i], edgecolor='none'
)
ax.add_patch(rect)
ax.set_xlim(min_val, max_val)
ax.set_ylim(0, 1)
ax.set_xticks(bounds)
ax.set_xticklabels(labels, rotation=45, ha='right', rotation_mode='anchor', fontsize=9)
# Format axes
ax.spines['top'].set_visible(False)
ax.spines['right'].set_visible(False)
ax.spines['left'].set_visible(False)
ax.spines['bottom'].set_position(('outward', 5))
ax.spines['bottom'].set_linewidth(1)
ax.tick_params(axis='x', direction='out', length=4, width=1, colors='black')
ax.get_yaxis().set_visible(False)
# Dynamic label formatting
raw_display = param.replace("_", " ")
# Forced line breaks for specific long labels to maintain clean layout
if "Phototoxicity Photoirritation" in raw_display:
raw_display = raw_display.replace(" Photoirritation", "\nPhotoirritation")
elif "Skin sensitisation" in raw_display:
raw_display = raw_display.replace(" sensitisation", "\nsensitisation")
elif "Acute dermal toxicity" in raw_display:
raw_display = raw_display.replace(" toxicity", "\ntoxicity")
elif "Photoinduced toxicity" in raw_display:
raw_display = raw_display.replace(" toxicity", "\ntoxicity")
display_param = f"{raw_display} (Prob)"
current_fontsize = 11
bottom_margin = 0.45
# Check for newline to adjust margin and font size accordingly
if "\n" in display_param:
bottom_margin = 0.55
current_fontsize = 9
ax.set_xlabel(display_param, fontsize=current_fontsize, labelpad=5, weight='bold')
plt.subplots_adjust(bottom=bottom_margin)
filename = os.path.join(output_dir, f"{param}_bar.png")
plt.savefig(filename, dpi=300, bbox_inches='tight', facecolor=fig.get_facecolor())
plt.close()
if __name__ == "__main__":
print("Starting generation of Cosmetic Risk Assessment profile bars...")
create_cosmetic_bars()
print("Process completed successfully! Check the 'ADMET_Cosmetic_Bars' folder.")