Algorithms & Data Structures (M) Assessed Exercise (2022–23)答案，需要请联系

In this exercise you will implement an ADT that represents a molecule – i.e. a
group of atoms connected by bonds. You do not need to know any chemistry
apart from that which is presented here.
The total weighting for the exercise (parts 1 and 2) contribute to 20% of the
ADS(M) course assessment.
The deadline is Monday 27th March 2023 at 16:30.
In this exercise you will implement an ADT Molecule which allows us to
initialize a molecule, add atoms to a molecule, and print a String representation
of a molecule in two different formats. Before introducing the ADT let us look
at the underlying chemistry*
that has inspired it.

• This description is only loosely based on real chemistry and has been
  simplified for the purposes of this exercise. We will be able to construct
  molecules which would never exist in real life (as well as some that would).
  Background
  In this exercise, we will only consider molecules that are composed of atoms
  which belong to the ten types named in the lefthand column of table 1 below:
  Element symbol valency
  hydrogen H 1
  carbon C 4
  boron B 3
  nitrogen N 3
  oxygen O 2
  fluorine Fl 1
  phosphorous P 3
  sulphur S 2
  fluorine Cl 1
  bromine Br 1

Table 1: Valencies of common elements
For our purposes, an atom consists of an element together with a list of
weighted bonds. Again, for our purposes, a bond consists of an atom and a
weight.
Algorithms & Data Structures (M) Assessed Exercise 1
When an atom has yet to be added to a molecule (we’ll call this a free atom), its
list of bonds will consist of v bonds each of which consist of a hydrogen atom
and a weight equal to 1. Here v is the valency of the element (see the rightmost
column of Table 1). We will refer to this type of bond as a hydrogen bond. So, a
carbon atom that has yet to be attached to a molecule will have 4 hydrogen
bonds and can be visualised as shown in Figure 1:
Note that as bonds in this case have weight 1, they are represented by using
single line. Bonds of weight 2 will be represented using a double line, and so
on. A Hydrogen atom’s bond list is empty.
When two free atoms which are not hydrogen atoms are connected via a bond of
weight w, they each lose w hydrogen bonds to accommodate the new bond. So,
if the carbon atom above is connected to an oxygen atom via a double bond we
have:
I have added the number 2 above the + sign to indicate that a double bond is
being added. Also, the angle at which I have drawn the bonds is not significant
(they just look nicer drawn symmetrically).
A similar process occurs when a free atom is added to an existing molecule.
E.g.
Note that I have coloured the specific C atom to which I want to bond the
oxygen atom.
H HHC H HHC (2) + HH0 H HHC H C O HH0 H H HHC +(2) 0 HH C H HHC H HHC (2) + HH0 H HHC H C O
Figure 1: A free carbon atom
Figure 2: adding a bond between two free atoms
Figure 3: adding a free atom to a molecule
Algorithms & Data Structures (M) Assessed Exercise 1
Entire molecules can be constructed by starting with a single free atom and
adding further atoms and bonds. See the accompanying Examples file for some
example molecules and how we would construct them in this way. Note that
when atoms are added via a single bond, no number is added above the bond.
In this exercise we will assume that our molecules do not contain loops (or
rings).
We can represent a molecule via a string in two different ways, either in a
format that we will refer to as the molecule’s structural formula or in a format
that is known as its smiles string. For example, the structural formula of the
molecule on the left of Figure 3 is CH3CH3 (it is composed of two C atoms,
each of which have three H bonds) and its smiles string is CC. Note that the
smiles string differs from the structural formula in that the H atoms are omitted.
Another example is the molecule on the right of Figure 3. Its structure is
CH3CH=O and its smiles string is CC=O. Note that the double bond is
represented by a “=”. A triple bond is represented by a “#”. For example, the
molecule shown in Figure 4 has structural formula CH#CH and smiles formula
C#C.
Branches in molecules are represented in the strings using brackets to enclose
all the (non-hydrogen) branches when there is more than one such branch. As an
example, see the molecule in Figure 5 below.
The structural formula is CH3CH(CH3)(CH2OH) and the smiles string is
CC©(CO). The highlighted C atom has two non-hydrogen branches, one
involving a CH3 sub-molecule and the other a CH2OH sub-molecule. There are
many more examples of molecules with their structural formulas and smiles
strings in the Examples file. Note that convention states that when there are
multiple branches all but the last one is enclosed in brackets. You can follow
this convention or use brackets for all branches as you choose. mile
The Exercise
You have been provided with a Java interface, Molecule.java. You must not
change this file in any way.
Part A: You have also been provided with three outline classes: Atom, Bond
and TreeMolecule. You should complete these three classes. Note that
TreeMolecule.java implements the Molecule interface (and should therefore
implement its methods). I have provided a test class, namely TestMolecule.java,
which you can use to test your TreeMolecule class. I will use a similar class to
Figure 4: Molecule with triple bond
Figure 5: Molecule with branching
H HHC CHC HHC H H O H H H H C C
Algorithms & Data Structures (M) Assessed Exercise 1
test your programs. Note that the test program only calls the methods declared
in the Molecule interface. You can include helper methods in your
TreeMolecule class, but only to help the implementation of the methods
declared in the interface. You should not rely on any other classes, apart from
via the usual import statements if required. You should not use a Java collection
to implement your TreeMolecule (e.g. don’t just import a LinkedList and add
your atoms to that).
Part B: In addition, you should prepare a document in which you provide
algorithms associated with each of the methods in Molecule.java, which
correspond to your TreeMolecule implementation. This should be formally
presented and not include java code (or any sort of programming code or
pseudo code). As examples of the sort of thing required, see the lecture notes
and tutorial sheet solutions.
Submission
You should submit the following via moodle as a single zipped folder,
ADS_2023.zip: • your completed files TreeMolecule.java, Atom.java and Bond.java.
• your algorithm document, algorithms.pdf
You should submit no further files. Each submitted file should contain a
comment at the top of the file with your name and student number.
Assessment
Your assessment will be marked against the following criteria:
Part A:
Correctness (pass my test program): 10 marks
Elegance (commenting, brevity, effective use of recursion): 5 marks
Part B:
Proper algorithm presentation: 7 marks
Your total mark will be converted to a grade on the University’s 22-point scale.
Your mark will be reduced if your code is clumsy or hard to read, or if you do
not follow the above submission instructions