Chem Equation Balancer Script
RT: Alright, so we have some Python code here that's going to help us balance chemical equations. Let's break it down step by step, just like we always do!
[ON-SCREEN: Python code]
RT: First off, we import the necessary libraries. We have the 're' library for regular expressions and the 'sympy' library for matrix operations. Trust me, these are going to be our secret weapons in tackling chemical equations.
RT: Next, we have two important variables: 'elementList' and 'elementMatrix'. These will store the elements and their corresponding counts in the equation.
RT: Now, let's focus on this 'compoundDecipher' function. It takes a compound, an index, and a side as input. The compound represents a chemical compound in the equation, the index keeps track of where we are in the equation, and the side tells us if it's a reactant (-1) or a product (1).
RT: Inside this function, we split the compound into segments using regular expressions. If a segment starts with a parenthesis, it means there's a multiplier attached to it. We extract the segment and its multiplier, and then we pass it to the 'findElements' function.
RT: In the 'findElements' function, we split the segment into elements and their corresponding counts. We iterate through these elements and counts, checking if the count is a number or not. If it is, we calculate the total count by multiplying it with the multiplier from the 'compoundDecipher' function. Finally, we add this element to the 'elementMatrix' using the 'addToMatrix' function.
RT: The 'addToMatrix' function is where the magic happens! We check if the index matches the length of the 'elementMatrix'. If it does, it means we need to add a new row to the matrix. We also add a column for the new element in all the existing rows.
RT: If the element is not already in the 'elementList', we add it and update the corresponding columns in the 'elementMatrix'. Then, we calculate the column index of the element and update the count in the 'elementMatrix' at the specified index and column.
RT: Okay, now that we've deciphered and stored all the elements and their counts, it's time to move on to the next step: balancing the equation! But before we do that, let's print out the 'elementList' and 'elementMatrix' just to see what we've got.
RT: [typing] print(elementList)
print(elementMatrix)
[ON-SCREEN: Output: elementList and elementMatrix]
RT: Now, let's talk about the balancing process. We create a matrix using the 'elementMatrix' list and then transpose it. This is where 'sympy' comes in handy! We find the nullspace of the transposed matrix, which gives us the solution vector. We multiply this vector by the least common multiple (LCM) of its denominators to make the coefficients integers.
RT: Finally, we format the coefficients and compounds into a balanced chemical equation. We iterate through the reactants and products, and for each compound, we append the coefficient multiplied by the compound itself to the 'output' string. We make sure to add a plus sign between compounds within the same side of the equation.
RT: [typing] output += str(coEffi[i][0]) + reactants[i]
if i < len(reactants) - 1:
output += " + "
RT: After we've added all the reactants, we insert the arrow symbol to indicate the transition from reactants to products.
RT: [typing] output += " -> "
RT: Then, we iterate through the products and append the coefficient multiplied by the product compound to the 'output' string. We also ensure to include a plus sign between multiple products, if applicable.
RT: [typing] output += str(coEffi[i + len(reactants)][0]) + products[i]
if i < len(products) - 1:
output += " + "
RT: Finally, we have our balanced chemical equation stored in the 'output' variable. Let's print it out and see the result!
RT: [typing] print(output)
[ON-SCREEN: Output: Balanced chemical equation]
RT: And there you have it, folks! Our Python script successfully balances the chemical equation. We've gone from deciphering the compounds, calculating the element counts, finding the solution vector, to formatting the coefficients and compounds into a balanced equation. Chemistry made easy with a touch of programming!
Created: June 5, 2023