def convert_to_class(materials=None):
'''
Function to convert a material's string representation to it's class representation.
'''
(material_names, material_objects) = get_materials()
all_material_classes = []
# iterate through each material in the list of provided material strings
for material in materials:
# get the index of the current material in the list of names from get_materials;
# obtain the class representation of the material using the index
material_class = None
for i, material_name in enumerate(material_names):
if any([
material_name == material,
material_objects[i]().get_name() == material
]):
material_class = material_objects[i]
# append the class representation of the current material to a list
all_material_classes.append(material_class)
return all_material_classes
def convert_volume_to_mol(mat, volume, unit='l'):
if type(mat) == material.Material:
mass = convert_volume(volume, unit) * mat().get_density()
return mass / mat.get_molar_mass()
elif type(mat) == str:
found = False
materials = material.get_materials()
for i, name in enumerate(materials[0]):
if name == mat:
found = True
mass = convert_volume(volume, unit) * materials[1][i]().get_density()
return mass / materials[1][i]().get_molar_mass()
if not found:
raise ValueError('Material name not found')
else:
raise TypeError('the material input must be a material class or a string name for the material')
import itertools
import sys
# ensure all necessary modules can be found
sys.path.append("../") # to access chemistrylab
sys.path.append("../chemistrylab/reactions") # to access all reactions
# import all local modules
import chemistrylab
# import the materials file
from chemistrylab.chem_algorithms import material
# take the materials from the material.py file
(materials, mat_objects) = material.get_materials()
# -------------------- # INPUT MATERIALS # -------------------- #
# define the chloro hydrocarbons available
all_chloro = [
material for material in materials if "chloro" in material.lower()
]
# reaction_bench requires at least one chloro hydrocarbon and Na to generate a Wurtz reaction;
# additionally, a single solute must be used as well;
# all possible valid configurations are generated and tabulated below
available_input_materials = []
for i, __ in enumerate(all_chloro):
# create a list of every combination of available chloro-hydrocarbons