Commit da798dd4 authored by Jason Louis Calalang's avatar Jason Louis Calalang
Browse files

Addtest the two similar molecule files, now does an extensive search for both...

Addtest the two similar molecule files, now does an extensive search for both subgraph and areMoleculesEqual
parent f2e906d4
Loading
Loading
Loading
Loading

TestSame1.txt

0 → 100644
+59 −0
Original line number Diff line number Diff line
TestMolecule1
27
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
H
H
H
H
H
H
O
O
H
0 1
1 2
2 18
2 3
2 3
3 19
3 4
4 5
5 20
5 6
5 6
6 21
6 7
7 8
8 22
8 9
8 9
9 23
9 10
10 11
11 12
12 13
13 14
14 15
15 16
16 17
17 24
17 25
17 25
24 26
 No newline at end of file

TestSame2.txt

0 → 100644
+59 −0
Original line number Diff line number Diff line
TestMolecule2
27
H
O
O
C
C
C
C
C
C
H
C
H
C
C
H
C
H
C
C
H
C
H
C
C
C
C
C
0 1
1 3
2 3
2 3
3 4
4 5
5 6
6 7
7 8
8 9
8 10
8 10
10 11
10 12
12 13
13 14
13 15
13 15
15 16
15 17
17 18
18 19
18 20
18 20
20 21
20 22
22 23
23 24
24 25
25 26
 No newline at end of file
+4 −1
Original line number Diff line number Diff line
@@ -123,7 +123,7 @@ public class Molecule implements Serializable {
        }

        // If all comparisons passed, the molecules are equal
        return this;
        return extensiveSearch(otherMolecule);
    }


@@ -231,6 +231,9 @@ public class Molecule implements Serializable {
        if (this.numEdges < subgraph.numEdges)
            return null;

        return extensiveSearch(subgraph);
    }
    public Molecule extensiveSearch(Molecule subgraph) {
        //Hashmap of candidates
        HashMap<Atom, ArrayList<Atom>> CandidateList = new HashMap<>();