GreenPolyProducts/openbabel
5
0
Fork 0
mirror of https://github.com/openbabel/openbabel.git synced 2025-02-25 18:55:23 -06:00
Code Issues Packages Projects Releases Wiki Activity

Fix pybel test failure by renaming expected output to UNL from LIG

Browse Source
This commit is contained in:
Geoff Hutchison
2014-03-15 15:59:37 -04:00
parent e8d7410a40
commit 5f083787cf
1 changed files with 11 additions and 11 deletions
Download Patch File Download Diff File Expand all files Collapse all files

8
scripts/python/examples/testpybel.py
View File

@@ -370,10 +370,10 @@ SMALL
GASTEIGER
@<TRIPOS>ATOM
1 C 0.0000 0.0000 0.0000 C.3 1 LIG1 0.0000
2 C 0.0000 0.0000 0.0000 C.3 1 LIG1 0.0000
3 C 0.0000 0.0000 0.0000 C.3 1 LIG1 0.0000
4 C 0.0000 0.0000 0.0000 C.3 1 LIG1 0.0000
1 C 0.0000 0.0000 0.0000 C.3 1 UNL1 0.0000
2 C 0.0000 0.0000 0.0000 C.3 1 UNL1 0.0000
3 C 0.0000 0.0000 0.0000 C.3 1 UNL1 0.0000
4 C 0.0000 0.0000 0.0000 C.3 1 UNL1 0.0000
@<TRIPOS>BOND
1 1 2 1
2 2 3 1