Commit f525b41f authored by Jason Louis Calalang's avatar Jason Louis Calalang
Browse files

Made changes to database to reject atoms with any unconnected atoms

parent 34c15178

src/MoleculeDatabase.java

+8 −0
Original line number Diff line number Diff line 
import edu.bu.ec504.project.Atom;

import edu.bu.ec504.project.Molecule;



import java.io.FileInputStream;
@@ -49,6 +50,13 @@ public class MoleculeDatabase { 
            return;

        }

        int numAtoms = molecule.getNumAtoms();

        //test if molecule has an unconnected atom

        for(Atom a: molecule.getAtomArrayList())

            if(a.connected.isEmpty()) {

                printVerbose("ERR: molecule file is incorrect (contains unconnected atom)");

                return;

            }



        if (this.db.containsKey(numAtoms)) {

            this.db.get(numAtoms).add(molecule);

        } else {

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

+6 −2
Original line number Diff line number Diff line
@@ -21,10 +21,14 @@ public class Main { 
                }

            }

        }

        System.out.println(moleculeArrayList.size());

        Molecule tester = new Molecule(filename);

        if (moleculeArrayList.get(0).isSubGraphPresent(tester) != null  ) {

            System.out.println("works");

        for(Molecule m: moleculeArrayList) {

            if(m.isSubGraphPresent(tester) != null) {

                System.out.println(m.moleculeName);

            }

        }



        /*

        for(Molecule f: moleculeArrayList) {

            Molecule testing = new Molecule(filename);

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

+3 −0
Original line number Diff line number Diff line
@@ -280,6 +280,9 @@ public class Molecule implements Serializable { 
        return numAtoms;

    }



    public ArrayList<Atom> getAtomArrayList() {

        return  atomArrayList;

    }



    class subGraphNode implements Serializable {

        public subGraphNode parent;