Commit ce372509 authored by Phuong Khanh Tran's avatar Phuong Khanh Tran
Browse files

Update MoleculeDatabase.java

parent ad93814c

src/MoleculeDatabase.java

+53 −1
Original line number Diff line number Diff line
@@ -112,7 +112,9 @@ public class MoleculeDatabase { 
    }



    /**

     * Find subgraph

     * Find all molecules that contain the @param subgraph

     * @param molecule subgraph

     * @return List of molecules that contain subgraph

     */

    public ArrayList<Molecule> findSubgraph(Molecule molecule) {

        ArrayList<Molecule> returnList = new ArrayList<Molecule>();
@@ -131,6 +133,7 @@ public class MoleculeDatabase { 
        return returnList;

    }





    /**

     * Save database to file system

     */
@@ -157,4 +160,53 @@ public class MoleculeDatabase { 
        objInStream.close();

        fileInStream.close();

    }



    /**

     * Get database statistics as a string

     * Note: this method is designed to work with the webpage

     */

    public String showDb() {

        StringBuilder stringBuilder = new StringBuilder();



        // Print number of molecules

        int size = 0;

        for (ArrayList<Molecule> molecules : db.values()) {

            size += molecules.size();

        }

        stringBuilder.append("# of molecules: ").append(size).append("\n\n");



        if (size == 0)

            return stringBuilder.toString(); // if database is empty, return early



        // Print the list of molecules

        stringBuilder.append("List of molecules: ").append("\n\n");

        for (Integer atomCount : this.db.keySet()) {

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

            for (Molecule molecule : moleculesWithSameNumAtoms) {

                stringBuilder.append("Molecule name: ").append(molecule.moleculeName).append("\n");

                stringBuilder.append("# of atoms: ").append(atomCount.toString()).append("\n\n");

            }

        }



        // Print the largest and smallest molecules

        int maxAtoms = Integer.MIN_VALUE;

        int minAtoms = Integer.MAX_VALUE;

        Molecule largestMolecule = null;

        Molecule smallestMolecule = null;

        for (Map.Entry<Integer, ArrayList<Molecule>> entry : db.entrySet()) {

            int numAtoms = entry.getKey();

            if (numAtoms > maxAtoms) {

                maxAtoms = numAtoms;

                largestMolecule = entry.getValue().get(0); // only print 1 representative molecule

            }

            if (numAtoms < minAtoms) {

                minAtoms = numAtoms;

                smallestMolecule = entry.getValue().get(0); // only print 1 representative molecule

            }

        }

        stringBuilder.append("Smallest molecule: ").append(smallestMolecule.moleculeName).append("\n");

        stringBuilder.append("Largest molecule: ").append(largestMolecule.moleculeName).append("\n\n");



        return stringBuilder.toString();

    }

}