smallscripts/weighing_calc.py at main · RubiaLab/smallscripts · GitHub

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#!/usr/bin/python
__author__ = 'RubiaLab'
__email__ = 'rubialab@rubialab.de'
__version__ = '1.0'

def main():
	# Program for calculating the weighing of solids or dilution of solutions
	from molmass import Formula

	def calc_molar_solution():
		print('\n[1] x-molar solution from solid')
		print('Chemical formula of substance:')
		sumformula = Formula(input())
		print('Molarity of the solution in mol/L:')
		molarity = float(input())
		print('Volume of the solution in mL:')
		vol = float(input())

		weighing = round((sumformula.mass * molarity) * (vol / 1000), 4)

		print(f"{'Molar mass of':<25} {sumformula}: {round(sumformula.mass, 4)} g/mol")
		print(f"{'Molarity:':<25} {molarity} mol/L")
		print(f"{'Solution volume:':<25} {vol} mL")
		print(f"{'Required weighing:':<25} {weighing} g")

	def calc_percent_solution():
		print('\n[2] x%-solution from solid')
		print('Chemical formula of substance:')
		sumformula = Formula(input())
		print('Mass fraction in %:')
		target_conc = float(input())
		print('Density of the target solution:')
		density = float(input())
		print('Solution volume in mL:')
		target_vol = float(input())

		conc = ((density * 1000) * (target_conc / 100)) / sumformula.mass
		weighing = round((conc * (target_vol / 1000) * sumformula.mass), 4)

		print(f"{'Substance concentration:':<25} {round(conc, 2)} mol/L")
		print(f"{'Required weighing:':<25} {weighing} g of {sumformula}")

	def calc_dilution():
		print('\n[3] Solution by dilution (mixing cross)')
		print('Select unit:\n'
			'[1] %\n'
			'[2] mol/L\n')
		unit = int(input())
		print_unit = '%' if unit == 1 else 'mol/L'

		print(f'Concentration of solution 1 in {print_unit}:')
		conc_1 = float(input())
		print(f'Concentration of solution 2 in {print_unit}:')
		conc_2 = float(input())
		print(f'Target concentration in {print_unit}:')
		target_conc = float(input())
		print('Solution volume in mL:')
		target_vol = float(input())

		part_1 = abs(conc_2 - target_conc)
		part_2 = abs(conc_1 - target_conc)
		vol_1 = round((part_1 / (part_1 + part_2)) * target_vol, 2)
		vol_2 = round((part_2 / (part_1 + part_2)) * target_vol, 2)

		print(f"{'Concentration solution 1:':<30} {conc_1} {print_unit}")
		print(f"{'Concentration solution 2:':<30} {conc_2} {print_unit}")
		print(f"{'Target concentration:':<30} {target_conc} {print_unit}")
		print(f"{'Total solution volume:':<30} {target_vol} mL")
		print(f"{'Volume solution 1:':<30} {vol_1} mL")
		print(f"{'Volume solution 2:':<30} {vol_2} mL")

	def calc_molar_from_percent():
		print('\n[4] x-molar solution from x%-solution')
		print('Empirical formula of substance:')
		sumformula = Formula(input())
		print('Mass fraction in %:')
		mass_fraction = float(input())
		print('Density of the stock solution:')
		density = float(input())
		print('Target molarity:')
		target_molarity = float(input())
		print('Solution volume in mL:')
		vol = float(input())

		mass = (density * 1000) * (mass_fraction / 100)
		molarity = mass / sumformula.mass
		print(f'{sumformula} with a mass fraction of {mass_fraction}% has a concentration of {round(molarity, 2)} mol/L.')
		target_vol = round((target_molarity * vol) / molarity, 2)
		add_vol = round(vol - target_vol, 2)

		print(f'Measure {target_vol} mL of the {mass_fraction}% solution and dilute with {add_vol} mL water.')

	calculation_methods = {
		1: calc_molar_solution,
		2: calc_percent_solution,
		3: calc_dilution,
		4: calc_molar_from_percent
	}

	print('Select calculation:\n'
		'[1] x-molar solution from solid (e.g., 1M NaOH)\n'
		'[2] x%-solution from solid (e.g., 10% NaOH)\n'
		'[3] Solution by dilution (mixing cross)\n'
		'[4] x-molar solution from x%-solution\n')

	while True:
		try:
			calctype = int(input())
			if calctype in calculation_methods:
				calculation_methods[calctype]()
				break
			else:
				print('Please enter a valid option (1-4).')
		except ValueError:
			print('Invalid input. Please enter a number between 1 and 4.')

if __name__ == '__main__':
	main()