Answered step by step
Verified Expert Solution
Link Copied!

Question

1 Approved Answer

Given the following two python files: Molecular mass calculation Classes: Molecule - the molecular formula as a string Examples: >>> x = Molecule(H2SO4) >>> print(x.mass())

Given the following two python files:

"""Molecular mass calculation

Classes:

Molecule - the molecular formula as a string

Examples:

>>> x = Molecule("H2SO4")

>>> print(x.mass())

98.07679999999999

"""

import re

__all__ = ["Molecule"]

_atomic_mass = {

"H": 1.0079, "He": 4.0026, "Li": 6.941, "Be": 9.0122,

"B": 10.811, "C": 12.011, "N": 14.007, "O": 15.999, "F": 18.998,

"Ne": 20.180, "Na": 22.990, "Mg": 24.305, "Al": 26.982,

"Si": 28.086, "P": 30.974, "S": 32.065, "Cl": 35.453,

"Ar": 39.948, "K": 39.098, "Ca": 40.078, "Sc": 44.956,

"Ti": 47.867, "V": 50.942, "Cr": 51.996, "Mn": 54.938,

"Fe": 55.845, "Co": 58.933, "Ni": 58.693, "Cu": 63.546,

"Zn": 65.39, "Ga": 69.723, "Ge": 72.61, "As": 74.922,

"Se":78.96, "Br": 79.904, "Kr": 83.80, "Rb": 85.468, "Sr": 87.62,

"Y": 88.906, "Zr": 91.224, "Nb": 92.906, "Mo": 95.94,

"Tc": 97.61, "Ru": 101.07, "Rh": 102.91, "Pd": 106.42,

"Ag": 107.87, "Cd": 112.41, "In": 114.82, "Sn": 118.71,

"Sb": 121.76, "Te": 127.60, "I": 126.90, "Xe": 131.29,

"Cs": 132.91, "Ba": 137.33, "La": 138.91, "Ce": 140.12,

"Pr": 140.91, "Nd": 144.24, "Pm": 145.0, "Sm": 150.36, "Eu": 151.96,

"Gd": 157.25, "Tb": 158.93, "Dy": 162.50, "Ho": 164.93, "Er": 167.26,

"Tm": 168.93, "Yb": 173.04, "Lu": 174.97, "Hf": 178.49, "Ta": 180.95,

"W": 183.84, "Re": 186.21, "Os": 190.23, "Ir": 192.22, "Pt": 196.08,

"Au": 196.08, "Hg": 200.59, "Tl": 204.38, "Pb": 207.2, "Bi": 208.98,

"Po": 209.0, "At": 210.0, "Rn": 222.0, "Fr": 223.0, "Ra": 226.0,

"Ac": 227.0, "Th": 232.04, "Pa": 231.04, "U": 238.03, "Np": 237.0,

"Pu": 244.0, "Am": 243.0, "Cm": 247.0, "Bk": 247.0, "Cf": 251.0, "Es": 252.0,

"Fm": 257.0, "Md": 258.0, "No": 259.0, "Lr": 262.0, "Rf": 261.0, "Db": 262.0,

"Sg": 266.0, "Bh": 264.0, "Hs": 269.0, "Mt": 268.0

}

class Molecule(str):

"""Molecular formula calculations

Methods:

mass - the molecular mass of the formula

check_formula - test if formula symbols are recognized

clean_copy - return a copy with unrecognized symbols replaced

Raises:

ValueError - when parsing formula fails

KeyError - if it can't identify an atomic symbol

"""

# calculate molecular mass recursively from list of formula tokens

def _parse(self, tokens, stack):

def _find_closing_paren(tokens):

count = 0

for index, tok in enumerate(tokens):

if tok == ')':

count -= 1

if count == 0:

return index

elif tok == '(':

count += 1

raise ValueError('unmatched parentheses')

if len(tokens) == 0:

return sum(stack)

tok = tokens[0]

if tok == '(':

end =_find_closing_paren(tokens)

stack.append(self._parse(tokens[1:end], []))

return self._parse(tokens[end + 1:], stack)

elif tok.isdigit():

stack[-1] *= int(tok)

else:

stack.append(_atomic_mass[tok])

return self._parse(tokens[1:], stack)

def _gettokens(self):

# divide the string up into contituent formula tokens

# return the list of tokens

# for example, "Ca(NO3)2" becomes [ 'Ca', '(', 'N', 'O', '3', ')', '2' ]

return re.findall(r'[A-Z][a-z]*|\d+|\(|\)|\S', self)

def mass(self):

"""Compute and return the molecular mass from constituent atoms

Raises:

ValueError - if it cannot parse something

KeyError - if an atomic symbol is incorrect

"""

return self._parse(self._gettokens(), [])

def check_symbols(self):

"""Confirm that the token symbols in the formula are valid

Raises: ValueError if an invalid symbol is in the formula

"""

def is_valid(sym):

if sym in "()": return True

if sym in _atomic_mass: return True

if sym.isdigit(): return True

return False

for t in self._gettokens():

if not is_valid(t): raise ValueError("bad symbol " + t)

return True

def clean_copy(self):

"""Return a copy of the molecule with invalid tokens removed"""

# this is a stub implementation

return Molecule("H2O")

if __name__ == "__main__":

while True:

formula = input('Enter molecular formula: ')

m = Molecule(formula)

print('The molecular mass of {} is {:.3f} '.format(m, m.mass()))

AND:

import unittest

from molecule import Molecule

class TestMoleculeMethods(unittest.TestCase):

def setUp(self):

self.water = Molecule('H2O')

self.salt = Molecule('NaCl')

self.ammoniumdichromate = Molecule('(NH4)2Cr2O7')

def test_mass_water(self):

self.assertAlmostEqual(self.water.mass(), 18.0148, msg="water mass incorrect")

def test_mass_badsymbols(self):

badsalt = Molecule('NalC')

with self.assertRaises(KeyError):

badsalt.mass()

def test_check_symbols(self):

self.assertTrue( self.salt.check_symbols() )

self.assertTrue( self.water.check_symbols() )

def test_clean_f(self):

badammoniumdichromate = Molecule('(NH4)2Cr2XqO7')

fixed = badammoniumdichromate.clean_copy()

self.assertTrue( fixed.check_symbols() )

self.assertEqual( str(fixed), '(NH4)2Cr2O7' )

def test_

if __name__ == '__main__':

unittest.main()

Answer the following question:

A) Add a test for the "mass" method checking that formulas with parentheses "()" work correctly

B) Add another test of your own for the "mass" method.

C) Implement the stub method so the module will pass the clean_f test.

Step by Step Solution

There are 3 Steps involved in it

Step: 1

blur-text-image

Get Instant Access to Expert-Tailored Solutions

See step-by-step solutions with expert insights and AI powered tools for academic success

Step: 2

blur-text-image_2

Step: 3

blur-text-image_3

Ace Your Homework with AI

Get the answers you need in no time with our AI-driven, step-by-step assistance

Get Started

Recommended Textbook for

Database Publishing With Filemaker Pro On The Web

Authors: Maria Langer

1st Edition

0201696657, 978-0201696653

More Books

Students also viewed these Databases questions

Question

2. Identify conflict triggers in yourself and others

Answered: 1 week ago