Merge branch 'search_logic' into 'master' (22dddcaf) · Commits · EC504 Spring 2024 Group Projects / Group4

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

+17 −5

Original line number	Diff line number	Diff line
		@@ -11,21 +11,33 @@ public class Atom implements Serializable {
		degree = 0;
		connected = new HashMap<>();
		elementType = elem;
		marked = false;
		}
		public void addEdge(Atom i) {
		degree++;
		if(connected.containsKey(i.getName())) {
		connected.put(i.getName(),connected.get(i.getName())+1);
		connected.put(i.getName(),new ElemOrderPair(i.elementType,connected.get(i.getName()).bondOrder+1));
		}
		else
		connected.put(i.getName(),1);
		connected.put(i.getName(),new ElemOrderPair(i.elementType,1));
		}
		public String getName() {
		return this.atomName;
		}
		private String atomName;
		private int elementType;
		private int degree;
		private Map<String,Integer> connected;
		public int elementType;
		public int degree;
		public Map<String,ElemOrderPair> connected;
		public boolean marked;


		class ElemOrderPair implements Serializable{
		public int eType;
		public int bondOrder;
		public ElemOrderPair(int eType, int bondOrder) {
		this.eType = eType;
		this.bondOrder = bondOrder;
		}
		}
		}

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

+8 −1

Original line number	Diff line number	Diff line
		@@ -15,12 +15,19 @@ public class Main {
		if (files != null) {
		for (File file : files) {
		if (file.isFile()) {
		for(int oo = 0;oo <1000;oo++)
		moleculeArrayList.add(new Molecule(file.getPath()));
		}
		}
		}
		}
		Molecule tester = new Molecule(filename);
		for(Molecule f: moleculeArrayList) {
		Molecule testing = new Molecule(filename);
		if (moleculeArrayList.get(0).areMoleculesEqual(testing) == null) {
		System.out.println("err");
		}
		}
		}

		}

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

+47 −9

Original line number	Diff line number	Diff line
		@@ -75,22 +75,59 @@ public class Molecule implements Serializable {
		// return null; // Number of atoms is different, molecules are not equal
		// }

		// Compare the number of elements
		if (!Arrays.equals(this.numElements, otherMolecule.numElements)) {
		System.out.println("different numElements");
		return null; // Number of elements is different, molecules are not equal
		}

		// Compare the number of edges
		if (this.numEdges != otherMolecule.numEdges) {
		System.out.println("different numEdges");
		return null; // Number of edges is different, molecules are not equal
		}

		// Clean the atom list of any marked atoms
		for(Atom cleanAtom : otherMolecule.atomArrayList)
		cleanAtom.marked = false;
		// Compare the atom lists
		// if (!this.atomArrayList.equals(otherMolecule.atomArrayList)) {
		// System.out.println("different atomArrayList");
		// return null; // Atom lists are different, molecules are not equal
		// }

		// Compare the number of elements
		if (!Arrays.equals(this.numElements, otherMolecule.numElements)) {
		System.out.println("different numElements");
		return null; // Number of elements is different, molecules are not equal
		for(Atom dbAtom : this.atomArrayList) {
		boolean atomFound = false;
		for (Atom newAtom : otherMolecule.atomArrayList) {
		if (!newAtom.marked && newAtom.degree == dbAtom.degree && newAtom.elementType == dbAtom.elementType) { //Check if degrees and elements are the same
		boolean sameConnected = true;
		// Compare connected of each atom
		//for each connected atom in dbAtom
		boolean [] edgeMarked = new boolean[newAtom.connected.size()];
		for (Atom.ElemOrderPair dbValues : dbAtom.connected.values()) {
		boolean matchingEdgeIsFound = false;
		int marker = 0;
		//for each connected element in input
		for (Atom.ElemOrderPair newAtomValues : newAtom.connected.values()) {
		//if its a match
		if (!edgeMarked[marker] && dbValues.eType == newAtomValues.eType && dbValues.bondOrder == newAtomValues.bondOrder) {
		//mark the newAtom edge as already found
		edgeMarked[marker]=true;
		matchingEdgeIsFound = true;
		//go to next connected atom in dbAtom (break)
		break;
		}
		marker++;
		}
		if (!matchingEdgeIsFound)
		sameConnected = false;
		}
		if (sameConnected) {
		atomFound = true;
		newAtom.marked = true;
		break;
		}
		//if connected isnt the same
		//go to next newAtom;
		}
		}
		if(!atomFound)
		return null;
		}

		// If all comparisons passed, the molecules are equal
		@@ -104,5 +141,6 @@ public class Molecule implements Serializable {
		return numAtoms;
		}


		}