Commit c153e668 authored by Caelan Reese Wong's avatar Caelan Reese Wong
Browse files

Updated periodic table to be in an enum instead of the molecule class

parent 627f9ff9

src/edu/bu/ec504/project/Main.java

+0 −1
Original line number Diff line number Diff line
@@ -2,7 +2,6 @@ package edu.bu.ec504.project; 


import java.io.File;

import java.util.ArrayList;

import java.util.HashMap;



public class Main {

    public static void main(String[] args) {

src/edu/bu/ec504/project/Molecule.java

+3 −26
Original line number Diff line number Diff line
@@ -4,25 +4,13 @@ import java.io.BufferedReader; 
import java.io.FileReader;

import java.io.IOException;

import java.util.ArrayList;

import java.util.HashMap;

import java.util.Map;



public class Molecule {



    // TODO:save the molecule information



    // TODO:read the text file (adjacency list), line by line

    //Current implementation is in the constructor



    public Molecule(String MoleculeFile){

        //Init values

        numElements= new int [119];

        pt.put("C",6);

        pt.put("H",1);

        pt.put("N",7);

        pt.put("O",8);

        pt.put("S",16);

        //Creates dictionary of elements, want to add more to this & relocate this variable outside of molecule class to save space.



        int f,l;



        // Read and process input
@@ -33,7 +21,8 @@ public class Molecule { 
            atomArrayList = new ArrayList<Atom>(numAtoms); //Creates arraylist of atoms

            for(int ii = 0; ii <numAtoms;ii++) {

                line = reader.readLine();

                int num = pt.get(line); //Looks up element in Periodic Table

                PeriodicTable element= PeriodicTable.valueOf(line);

                int num = element.getAtomicNumber();  //Looks up element in Periodic Table

                atomArrayList.add(new Atom(line+numElements[num],num)); //Adds atom to list (with index)

                numElements[num]++; //Increases count for specific atom

            }
@@ -44,31 +33,19 @@ public class Molecule { 
                l = Integer.parseInt(line.substring(beginIndex)); //Reads second atom in edge

                atomArrayList.get(f).addEdge(atomArrayList.get(l)); //Marks edge for first atom

                atomArrayList.get(l).addEdge(atomArrayList.get(f)); //Marks edge for second atom

                System.out.println(line); // TODO: we can change this to parse the file rather than print it

            }

        } catch (IOException e) {

            System.err.println("Error reading the file: " + e.getMessage());

        }

    }



    public void saveData(String s){



    }





    // TODO: add molecule to the database





    //FIELDS

    String moleculeName;

    Map <String, Integer> pt = new HashMap<String,Integer>();

    int numAtoms;

    int numEdges;

    ArrayList<Atom> atomArrayList;

    int[] numElements; //stores quantity of each element









}

src/edu/bu/ec504/project/PeriodicTable.java

0 → 100644
+21 −0
Original line number Diff line number Diff line 
package edu.bu.ec504.project;



public enum PeriodicTable {



    H(1),

    C(6),

    N(7),

    O(8),

    S(16)

    ;





    private final int atomicNumber;

    PeriodicTable(int atomicNum){

        atomicNumber= atomicNum;

    }



    public int getAtomicNumber(){

        return atomicNumber;

    }

}