MolecularWeightCalculator 1.0.4

Molecular Mass Weight Calculator

This is a C# library for calculating the molecular mass of chemical compounds. It allows you to input a chemical formula and computes the total molecular weight by summing up the atomic weights of the constituent elements.

Features

• Calculate the molecular weight of chemical compounds.
• Support for standard atomic weights of elements.
• Simple and intuitive DLL for integration into your projects.

Installation

You can install the Molecular Mass Calculator library via NuGet Package Manager Console:

NuGet\Install-Package MolecularWeightCalculator

Usage

Here's how you can use the library to calculate the molecular weight of a chemical compound:

var molecularMath = new MolecularMath();
string exp1 = "CO2";
var exp1Result = molecularMath.ComputeMass(exp1);
Console.WriteLine($"{exp1}=>{exp1Result}");
//CO2=>44.009

string exp2 = "CaCO3";
var exp2Result = molecularMath.ComputeMass(exp2);
Console.WriteLine($"{exp2}=>{exp2Result}");
//CaCO3=>100.086

string exp3 = "CO2 / CaCO3";
var exp3Result = molecularMath.ComputeMass(exp3);
Console.WriteLine($"{exp3}=>{exp3Result}");
//CO2 / CaCO3=>0.43971184781088263

string exp4 = "C2H2 +2.5 * O2";
var exp4Result = molecularMath.ComputeMass(exp4);
Console.WriteLine($"{exp4}=>{exp4Result}");
//C2H2 +2.5 * O2=>106.033


string exp5 = "2*CO2/C2H2";
var exp5Result = molecularMath.ComputeMass(exp5);
Console.WriteLine($"{exp5}=>{exp5Result}");
//2*CO2/C2H2=>3.3803671556955224

string exp6 = "1*2*3*4";
var exp6Result = molecularMath.ComputeMass(exp6);
Console.WriteLine($"{exp6}=>{exp6Result}");
//1*2*3*4=>24

string exp7 = "CaCO3 * A2 + B3";
//var exp7Result = molecularMath.ComputeMass(exp7);
//Console.WriteLine($"{exp7}=>{exp7Result}");
//KeyNotFoundException: 'A' was not present in the Periodic Table


Console.WriteLine($"===== calculate only contain C (Carbon) =====");
string calcMolecularOnly = "C";
string[] calcMolecularOnlyArray = calcMolecularOnly.Split(',');
string exp8 = "CaO + CO2";
var exp8Result = molecularMath.ComputeMass(exp8, calcMolecularOnlyArray);
Console.WriteLine($"{exp8}=>{exp8Result}");
//CaO + CO2=>44.009 (only CO2)

string exp9 = "C2H2 +2.5*O2";
var exp9Result = molecularMath.ComputeMass(exp9, calcMolecularOnlyArray);
Console.WriteLine($"{exp9}=>{exp9Result}");
//C2H2 +2.5*O2=>26.037999999999997 (Only C2H2)

string expA = "2*CO2 + H2O";
var expAResult = molecularMath.ComputeMass(expA, calcMolecularOnlyArray);
Console.WriteLine($"{expA}=>{expAResult}");
//2*CO2 + H2O=>88.018 (Only 2*CO2)

ChangeLog

1.0.2

1. fix: change ComputeMass method return type from double to object

1.0.3

1. change Periodic Table from https://iupac.org/what-we-do/periodic-table-of-elements/

1.0.4

1. Add filtering to only calculate the molecular weight of compounds with certain chemical elements, such as only contain C (Carbon)

Contributing

Contributions are welcome! If you find any issues or have suggestions for improvements, feel free to open an issue or submit a pull request.

License