1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
|
This test checks if Fischer projection exist
fischer_projection
-INDIGO-01000000002D
5 4 0 0 0 0 0 0 0 0999 V2000
-9.0824 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0824 1.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4342 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.0824 0.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7748 1.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 4 1 0 0 0 0
1 5 1 0 0 0 0
M END
Possible Fischer projection is found
no_fischer_projection
-INDIGO-01000000002D
5 4 0 0 0 0 0 0 0 0999 V2000
-9.0824 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0824 1.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3237 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4138 0.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9074 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 4 1 0 0 0 0
1 5 1 0 0 0 0
M END
No Ficsher projection is found
|
