chemformulapy

A lightweight Python package for parsing, analyzing, and working with chemical formulas.

chemformulapy provides tools to:

• Parse chemical formulas into structured representations
• Compute molar masses
• Work with chemical elements and their properties
• Generate chemically intuitive formula orderings

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🚀 Features

• 🧪 Parse formulas like H2O, C6H12O6, KNO3, H2SO4
• ⚖️ Calculate molar masses using built-in element data
• 🔬 Access element properties (atomic number, molar mass, electronegativity)
• 📐 Chemically intuitive ordering of elements
• 🧩 Extensible design using enums and descriptors

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📦 Installation

pip install chemformulapy

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⚡ Quick Start

from chemformulapy import Element

oxygen = Element.O
print(oxygen.name)
print(oxygen.mass())

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🧠 Use Cases

Molar Mass Calculation

from chemformulapy import parse_formula

formula = "H2O"
mass = parse_formula(formula).mass()
print(mass)

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Chemical Formula Parsing

compound = parse_formula("C6H12O6")
print(compound.elements)

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Element Property Analysis

from chemformulapy import Element

carbon = Element.C
print(carbon.value)

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📥 Example Scripts

molar_mass_calculator.py

from chemformulapy import parse_formula

formula = input("Enter chemical formula: ")
compound = parse_formula(formula)

print(f"Molar mass of {formula}: {compound.mass()} g/mol")

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element_lookup.py

from chemformulapy import Element

symbol = input("Enter element symbol: ")
element = Element[symbol]

print(f"Atomic number: {element.number}")
print(f"Molar mass: {element.mass}")
print(f"Electronegativity: {element.eneg}")

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formula_parser_demo.py

from chemformulapy import parse_formula

formula = "H2SO4"
compound = parse_formula(formula)

print("Parsed formula:", compound.elements)

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🧩 API Overview

Element Enum

Represents chemical elements with:

• Atomic number
• Molar mass
• Electronegativity

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🛠️ Dependencies

• numpy
• pyparsing

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🤝 Contributing

Contributions are welcome!

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📄 License

MIT License

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👤 Author

Evgenii Nekhoroshev, contact at evgnekhoroshev@gmail.com