Commit 8ce8af64 authored by Hyun Soo Kim's avatar Hyun Soo Kim
Browse files

Merge branch 'wip_db' of agile.bu.edu:ec504/ec504_projects/group4 into wip_db

parents 8c635c78 1758ca6c

src/MoleculeDatabase.java

+8 −3
Original line number Diff line number Diff line
@@ -7,7 +7,7 @@ package edu.bu.ec504.project; 
 */

public class MoleculeDatabase implements Serializable {



    public ArrayList<MoleculeDatabase> db;   // Molecule database

    public ArrayList<ArrayList<Molecule>> db;   // Molecule database



    /**

     * Constructs a database
@@ -27,13 +27,18 @@ public class MoleculeDatabase implements Serializable { 
     * Find isomorphic molecule from the database

     */

    public Molecule findMolecule(Molecule molecule) {

        // Iterate through the array list of molecules inside the database

        for (Molecule dbMolecule : db) {

        // Retrieve the partitioned array list based on the number of atoms

        int numAtoms = molecule.getNumAtoms();

        ArrayList<Molecule> moleculesWithSameNumAtoms = db.get(numAtoms);



        // Iterate through the array list of molecules with the same number of atoms

        for (Molecule dbMolecule : moleculesWithSameNumAtoms) {

            Molecule result = dbMolecule.areMoleculesEqual(molecule);

            if (result != null) {

                return result; // Return the isomorphic molecule

            }

        }



        System.out.println("No isomorphic molecule found in database.");

        return null; // Return null if molecule not found

    }