Python Programming CSE111 (Chemistry.py)

#Somebody should help me with my code, I think something is wrong with the indentations.

def main():

#Get a chemical formula for a molecule from the user.

my_formula = input('Enter the molecular formula of the sample: ')

#Get a mass in grams from the user.

my_mass = float(input("Enter the mass in grams of the sample: "))

# Call the make_periodic_table function and store the periodic table in a variable.

my_table = make_periodic_table()

#Call the parse_formula function to convert the chemical formula given by the user to a compound

#list that stores element symbols and the quantity of atoms of each element in the molecule.

symbol_quantity_list = parse_formula(my_formula, my_table)

#Call the compute_molar_mass function to compute the molar mass of the molecule from the compound list.

molar_mass_result = compute_molar_mass(symbol_quantity_list, my_table)

#Compute the number of moles of the sample.

number_of_moles = my_mass / molar_mass_result

existing_molecule = create_existing_molecules()

existing_name = get_formular_name(my_formula, existing_molecule)

the_proton = sum_protons(symbol_quantity_list, my_table)

#Print and round the molar mass to 5 decimal places.

print(f"The molar mass is: {molar_mass_result:.5f} grams/moles " f" The total number of moles in the sample is: {number_of_moles:.5f} moles")

print(f"The name of the chemical: {existing_name.capitalize()}, together with a total of: {the_proton}")

#Print the number of moles.

number_moles = round(number_moles, 5)

print(f'{number_moles} moles')

#TEST

for element in make_periodic_table:

print(element)

# Dictionary of elements

def make_periodic_table():

table = {

"Ac": ["Actinium", 227],

"Ag": ["Silver", 107.8682],

"Al": ["Aluminum", 26.9815386],

"Ar": ["Argon", 39.948],

"As": ["Arsenic", 74.9216],

"At": ["Astatine", 210],

"Au": ["Gold", 196.966569],

"B": ["Boron", 10.811],

"Ba": ["Barium", 137.327],

"Be": ["Beryllium", 9.012182],

"Bi": ["Bismuth", 208.9804],

"Br": ["Bromine", 79.904],

"C": ["Carbon", 12.0107],

"Ca": ["Calcium", 40.078],

"Cd": ["Cadmium", 112.411],

"Ce": ["Cerium", 140.116],

"Cl": ["Chlorine", 35.453],

"Co": ["Cobalt", 58.933195],

"Cr": ["Chromium", 51.9961],

"Cs": ["Cesium", 132.9054519],

"Cu": ["Copper", 63.546],

"Dy": ["Dysprosium", 162.5],

"Er": ["Erbium", 167.259],

"Eu": ["Europium", 151.964],

"F": ["Fluorine", 18.9984032],

"Fe": ["Iron", 55.845],

"Fr": ["Francium", 223],

"Ga": ["Gallium", 69.723],

"Gd": ["Gadolinium", 157.25],

"Ge": ["Germanium", 72.64],

"H": ["Hydrogen", 1.00794],

"He": ["Helium", 4.002602],

"Hf": ["Hafnium", 178.49],

"Hg": ["Mercury", 200.59],

"Ho": ["Holmium", 164.93032],

"I": ["Iodine", 126.90447],

"In": ["Indium", 114.818],

"Ir": ["Iridium", 192.217],

"K": ["Potassium", 39.0983],

"Kr": ["Krypton", 83.798],

"La": ["Lanthanum", 138.90547],

"Li": ["Lithium", 6.941],

"Lu": ["Lutetium", 174.9668],

"Mg": ["Magnesium", 24.305],

"Mn": ["Manganese", 54.938045],

"Mo": ["Molybdenum", 95.96],

"N": ["Nitrogen", 14.0067],

"Na": ["Sodium", 22.98976928],

"Nb": ["Niobium", 92.90638],

"Nd": ["Neodymium", 144.242],

"Ne": ["Neon", 20.1797],

"Ni": ["Nickel", 58.6934],

"Np": ["Neptunium", 237],

"O": ["Oxygen", 15.9994],

"Os": ["Osmium", 190.23],

"P": ["Phosphorus", 30.973762],

"Pa": ["Protactinium", 231.03588],

"Pb": ["Lead", 207.2],

"Pd": ["Palladium", 106.42],

"Pm": ["Promethium", 145],

"Po": ["Polonium", 209],

"Pr": ["Praseodymium", 140.90765],

"Pt": ["Platinum", 195.084],

"Pu": ["Plutonium", 244],

"Ra": ["Radium", 226],

"Rb": ["Rubidium", 85.4678],

"Re": ["Rhenium", 186.207],

"Rh": ["Rhodium", 102.9055],

"Rn": ["Radon", 222],

"Ru": ["Ruthenium", 101.07],

"S": ["Sulfur", 32.065],

"Sb": ["Antimony", 121.76],

"Sc": ["Scandium", 44.955912],

"Se": ["Selenium", 78.96],

"Si": ["Silicon", 28.0855],

"Sm": ["Samarium", 150.36],

"Sn": ["Tin", 118.71],

"Sr": ["Strontium", 87.62],

"Ta": ["Tantalum", 180.94788],

"Tb": ["Terbium", 158.92535],

"Tc": ["Technetium", 98],

"Te": ["Tellurium", 127.6],

"Th": ["Thorium", 232.03806],

"Ti": ["Titanium", 47.867],

"Tl": ["Thallium", 204.3833],

"Tm": ["Thulium", 168.93421],

"U": ["Uranium", 238.02891],

"V": ["Vanadium", 50.9415],

"W": ["Tungsten", 183.84],

"Xe": ["Xenon", 131.293],

"Y": ["Yttrium", 88.90585],

"Yb": ["Ytterbium", 173.054],

"Zn": ["Zinc", 65.38],

"Zr": ["Zirconium", 91.224],

}

return table

class FormulaError(ValueError):

"""FormulaError is the type of error that the parse_formula

function will raise if a formula is invalid.

"""

def parse_formula(formula, make_periodic_table):

"""Convert a chemical formula for a molecule into a compound

list that stores the quantity of atoms of each element

in the molecule. For example, this function will convert

"H2O" to [["H", 2], ["O", 1]] and

"PO4H2(CH2)12CH3" to [["P", 1], ["O", 4], ["H", 29], ["C", 13]]

Parameters

formula: a string that contains a chemical formula

make_periodic_table: the compound dictionary returned

from make_periodic_table

Return: a compound list that contains chemical symbols and

quantities like this [["Fe", 2], ["O", 3]]

"""

assert isinstance(formula, str), \

"wrong data type for parameter formula; " \

f"formula is a {type(formula)} but must be a string"

assert isinstance(make_periodic_table, dict), \

"wrong data type for parameter make_periodic_table; " \

f"make_periodic_table is a {type(make_periodic_table)} " \

"but must be a dictionary"

def parse_quant(formula, index):

quant = 1

if index < len(formula) and formula[index].isdecimal():

start = index

index += 1

while index

index += 1

quant = int(formula[start:index])

return quant, index

def get_quant(elem_dict, symbol):

return 0 if symbol not in elem_dict else elem_dict[symbol]

def parse_r(formula, index, level):

start_index = index

start_level = level

elem_dict = {}

while index < len(formula):

ch = formula[index]

if ch == "(":

group_dict, index = parse_r(formula,index+1,level+1)

quant, index = parse_quant(formula, index)

for symbol in group_dict:

prev = get_quant(elem_dict, symbol)

curr = prev + group_dict[symbol] * quant

elem_dict[symbol] = curr

elif ch.isalpha():

symbol = formula[index:index+2]

if symbol in make_periodic_table:

index += 2

else:

symbol = formula[index:index+1]

if symbol in make_periodic_table:

index += 1

else:

raise FormulaError("invalid formula, "

f"unknown element symbol: {symbol}",

formula, index)

quant, index = parse_quant(formula, index)

prev = get_quant(elem_dict, symbol)

elem_dict[symbol] = prev + quant

elif ch == ")":

if level == 0:

raise FormulaError("invalid formula, "

"unmatched close parenthesis",

formula, index)

level -= 1

index += 1

break

else:

if ch.isdecimal():

# Decimal digit not preceded by an

# element symbol or close parenthesis

message = "invalid formula"

else:

# Illegal character: [^()0-9a-zA-Z]

message = "invalid formula, illegal character"

raise FormulaError(message, formula, index)

if level > 0 and level >= start_level:

raise FormulaError("invalid formula, "

"unmatched open parenthesis",

formula, start_index - 1)

return elem_dict, index

# Return the compound list of element symbols and

# quantities. Each element in the compound list

# will be a list in this form: ["symbol", quantity]

elem_dict, _ = parse_r(formula, 0, 0)

return list(elem_dict.items())

# Indexes for inner lists in the periodic table

NAME_INDEX = 0

ATOMIC_MASS_INDEX = 1

# Indexes for inner lists in a symbol_quantity_list

SYMBOL_INDEX = 0

QUANTITY_INDEX = 1

def compute_molar_mass(symbol_quantity_list, make_periodic_table):

"""Compute and return the total molar mass of all the

elements listed in symbol_quantity_list.

Parameters

symbol_quantity_list is a compound list returned

from the parse_formula function. Each small

list in symbol_quantity_list has this form:

["symbol", quantity].

make_periodic_table is the compound dictionary

returned from make_periodic_table.

Return: the total molar mass of all the elements in

symbol_quantity_list.

For example, if symbol_quantity_list is [["H", 2], ["O", 1]],

this function will calculate and return

atomic_mass("H") * 2 + atomic_mass("O") * 1

1.00794 * 2 + 15.9994 * 1

18.01528

"""

# Do the following for each each inner list in the

# compound symbol_quantity_list:

# Separate the inner list into symbol and quantity.

# Get the atomic mass for the symbol from the dictionary.

# Multiply the atomic mass by the quantity.

# Add the product into the total molar mass.

# Return the total molar mass.

return

if __name__ == "__main__":

main()