bauer/WHAM
1
0
Fork 0
mirror of https://github.com/dnlbauer/WHAM.git synced 2026-09-10 22:25:31 +00:00
Code Issues Packages Projects Releases Wiki Activity

faster tests (2)

Browse Source
This commit is contained in:
Daniel Bauer
2021-07-22 16:34:43 +02:00
parent b6881a6db1
commit 6f35f15e46
3 changed files with 2927 additions and 6 deletions
Download Patch File Download Diff File Expand all files Collapse all files

2501
tests/data/2d_cyclic_reduced.out Normal file
View File

File diff suppressed because it is too large Load Diff

418
tests/data/metadata_2d_cyclic_reduced.dat Normal file
View File

@@ -0,0 +1,418 @@
#file phi psi fc1 fc2
../../example/2d_cyclic/COLVAR-3.0-3.0.xvg -3.0 -3.0 100.0 100.0
../../example/2d_cyclic/COLVAR-3.0-2.5.xvg -2.5 -3.0 100.0 100.0
../../example/2d_cyclic/COLVAR-3.0-2.25.xvg -2.25 -3.0 100.0 100.0
../../example/2d_cyclic/COLVAR-3.0-1.75.xvg -1.75 -3.0 100.0 100.0
../../example/2d_cyclic/COLVAR-3.0-1.5.xvg -1.5 -3.0 100.0 100.0
../../example/2d_cyclic/COLVAR-3.0-1.0.xvg -1.0 -3.0 100.0 100.0
../../example/2d_cyclic/COLVAR-3.0-0.75.xvg -0.75 -3.0 100.0 100.0
../../example/2d_cyclic/COLVAR-3.0-0.25.xvg -0.25 -3.0 100.0 100.0
../../example/2d_cyclic/COLVAR-3.0+0.0.xvg +0.0 -3.0 100.0 100.0
../../example/2d_cyclic/COLVAR-3.0+0.5.xvg +0.5 -3.0 100.0 100.0
../../example/2d_cyclic/COLVAR-3.0+0.75.xvg +0.75 -3.0 100.0 100.0
../../example/2d_cyclic/COLVAR-3.0+1.25.xvg +1.25 -3.0 100.0 100.0
../../example/2d_cyclic/COLVAR-3.0+1.5.xvg +1.5 -3.0 100.0 100.0
../../example/2d_cyclic/COLVAR-3.0+2.0.xvg +2.0 -3.0 100.0 100.0
../../example/2d_cyclic/COLVAR-3.0+2.25.xvg +2.25 -3.0 100.0 100.0
../../example/2d_cyclic/COLVAR-3.0+2.75.xvg +2.75 -3.0 100.0 100.0
../../example/2d_cyclic/COLVAR-3.0+3.0.xvg +3.0 -3.0 100.0 100.0
../../example/2d_cyclic/COLVAR-2.75-2.75.xvg -2.75 -2.75 100.0 100.0
../../example/2d_cyclic/COLVAR-2.75-2.5.xvg -2.5 -2.75 100.0 100.0
../../example/2d_cyclic/COLVAR-2.75-2.0.xvg -2.0 -2.75 100.0 100.0
../../example/2d_cyclic/COLVAR-2.75-1.75.xvg -1.75 -2.75 100.0 100.0
../../example/2d_cyclic/COLVAR-2.75-1.25.xvg -1.25 -2.75 100.0 100.0
../../example/2d_cyclic/COLVAR-2.75-1.0.xvg -1.0 -2.75 100.0 100.0
../../example/2d_cyclic/COLVAR-2.75-0.5.xvg -0.5 -2.75 100.0 100.0
../../example/2d_cyclic/COLVAR-2.75-0.25.xvg -0.25 -2.75 100.0 100.0
../../example/2d_cyclic/COLVAR-2.75+0.25.xvg +0.25 -2.75 100.0 100.0
../../example/2d_cyclic/COLVAR-2.75+0.5.xvg +0.5 -2.75 100.0 100.0
../../example/2d_cyclic/COLVAR-2.75+1.0.xvg +1.0 -2.75 100.0 100.0
../../example/2d_cyclic/COLVAR-2.75+1.25.xvg +1.25 -2.75 100.0 100.0
../../example/2d_cyclic/COLVAR-2.75+1.75.xvg +1.75 -2.75 100.0 100.0
../../example/2d_cyclic/COLVAR-2.75+2.0.xvg +2.0 -2.75 100.0 100.0
../../example/2d_cyclic/COLVAR-2.75+2.5.xvg +2.5 -2.75 100.0 100.0
../../example/2d_cyclic/COLVAR-2.75+2.75.xvg +2.75 -2.75 100.0 100.0
../../example/2d_cyclic/COLVAR-2.5-3.0.xvg -3.0 -2.5 100.0 100.0
../../example/2d_cyclic/COLVAR-2.5-2.75.xvg -2.75 -2.5 100.0 100.0
../../example/2d_cyclic/COLVAR-2.5-2.25.xvg -2.25 -2.5 100.0 100.0
../../example/2d_cyclic/COLVAR-2.5-2.0.xvg -2.0 -2.5 100.0 100.0
../../example/2d_cyclic/COLVAR-2.5-1.5.xvg -1.5 -2.5 100.0 100.0
../../example/2d_cyclic/COLVAR-2.5-1.25.xvg -1.25 -2.5 100.0 100.0
../../example/2d_cyclic/COLVAR-2.5-0.75.xvg -0.75 -2.5 100.0 100.0
../../example/2d_cyclic/COLVAR-2.5-0.5.xvg -0.5 -2.5 100.0 100.0
../../example/2d_cyclic/COLVAR-2.5+0.0.xvg +0.0 -2.5 100.0 100.0
../../example/2d_cyclic/COLVAR-2.5+0.25.xvg +0.25 -2.5 100.0 100.0
../../example/2d_cyclic/COLVAR-2.5+0.75.xvg +0.75 -2.5 100.0 100.0
../../example/2d_cyclic/COLVAR-2.5+1.0.xvg +1.0 -2.5 100.0 100.0
../../example/2d_cyclic/COLVAR-2.5+1.5.xvg +1.5 -2.5 100.0 100.0
../../example/2d_cyclic/COLVAR-2.5+1.75.xvg +1.75 -2.5 100.0 100.0
../../example/2d_cyclic/COLVAR-2.5+2.25.xvg +2.25 -2.5 100.0 100.0
../../example/2d_cyclic/COLVAR-2.5+2.5.xvg +2.5 -2.5 100.0 100.0
../../example/2d_cyclic/COLVAR-2.5+3.0.xvg +3.0 -2.5 100.0 100.0
../../example/2d_cyclic/COLVAR-2.25-3.0.xvg -3.0 -2.25 100.0 100.0
../../example/2d_cyclic/COLVAR-2.25-2.5.xvg -2.5 -2.25 100.0 100.0
../../example/2d_cyclic/COLVAR-2.25-2.25.xvg -2.25 -2.25 100.0 100.0
../../example/2d_cyclic/COLVAR-2.25-1.75.xvg -1.75 -2.25 100.0 100.0
../../example/2d_cyclic/COLVAR-2.25-1.5.xvg -1.5 -2.25 100.0 100.0
../../example/2d_cyclic/COLVAR-2.25-1.0.xvg -1.0 -2.25 100.0 100.0
../../example/2d_cyclic/COLVAR-2.25-0.75.xvg -0.75 -2.25 100.0 100.0
../../example/2d_cyclic/COLVAR-2.25-0.25.xvg -0.25 -2.25 100.0 100.0
../../example/2d_cyclic/COLVAR-2.25+0.0.xvg +0.0 -2.25 100.0 100.0
../../example/2d_cyclic/COLVAR-2.25+0.5.xvg +0.5 -2.25 100.0 100.0
../../example/2d_cyclic/COLVAR-2.25+0.75.xvg +0.75 -2.25 100.0 100.0
../../example/2d_cyclic/COLVAR-2.25+1.25.xvg +1.25 -2.25 100.0 100.0
../../example/2d_cyclic/COLVAR-2.25+1.5.xvg +1.5 -2.25 100.0 100.0
../../example/2d_cyclic/COLVAR-2.25+2.0.xvg +2.0 -2.25 100.0 100.0
../../example/2d_cyclic/COLVAR-2.25+2.25.xvg +2.25 -2.25 100.0 100.0
../../example/2d_cyclic/COLVAR-2.25+2.75.xvg +2.75 -2.25 100.0 100.0
../../example/2d_cyclic/COLVAR-2.25+3.0.xvg +3.0 -2.25 100.0 100.0
../../example/2d_cyclic/COLVAR-2.0-2.75.xvg -2.75 -2.0 100.0 100.0
../../example/2d_cyclic/COLVAR-2.0-2.5.xvg -2.5 -2.0 100.0 100.0
../../example/2d_cyclic/COLVAR-2.0-2.0.xvg -2.0 -2.0 100.0 100.0
../../example/2d_cyclic/COLVAR-2.0-1.75.xvg -1.75 -2.0 100.0 100.0
../../example/2d_cyclic/COLVAR-2.0-1.25.xvg -1.25 -2.0 100.0 100.0
../../example/2d_cyclic/COLVAR-2.0-1.0.xvg -1.0 -2.0 100.0 100.0
../../example/2d_cyclic/COLVAR-2.0-0.5.xvg -0.5 -2.0 100.0 100.0
../../example/2d_cyclic/COLVAR-2.0-0.25.xvg -0.25 -2.0 100.0 100.0
../../example/2d_cyclic/COLVAR-2.0+0.25.xvg +0.25 -2.0 100.0 100.0
../../example/2d_cyclic/COLVAR-2.0+0.5.xvg +0.5 -2.0 100.0 100.0
../../example/2d_cyclic/COLVAR-2.0+1.0.xvg +1.0 -2.0 100.0 100.0
../../example/2d_cyclic/COLVAR-2.0+1.25.xvg +1.25 -2.0 100.0 100.0
../../example/2d_cyclic/COLVAR-2.0+1.75.xvg +1.75 -2.0 100.0 100.0
../../example/2d_cyclic/COLVAR-2.0+2.0.xvg +2.0 -2.0 100.0 100.0
../../example/2d_cyclic/COLVAR-2.0+2.5.xvg +2.5 -2.0 100.0 100.0
../../example/2d_cyclic/COLVAR-2.0+2.75.xvg +2.75 -2.0 100.0 100.0
../../example/2d_cyclic/COLVAR-1.75-3.0.xvg -3.0 -1.75 100.0 100.0
../../example/2d_cyclic/COLVAR-1.75-2.75.xvg -2.75 -1.75 100.0 100.0
../../example/2d_cyclic/COLVAR-1.75-2.25.xvg -2.25 -1.75 100.0 100.0
../../example/2d_cyclic/COLVAR-1.75-2.0.xvg -2.0 -1.75 100.0 100.0
../../example/2d_cyclic/COLVAR-1.75-1.5.xvg -1.5 -1.75 100.0 100.0
../../example/2d_cyclic/COLVAR-1.75-1.25.xvg -1.25 -1.75 100.0 100.0
../../example/2d_cyclic/COLVAR-1.75-0.75.xvg -0.75 -1.75 100.0 100.0
../../example/2d_cyclic/COLVAR-1.75-0.5.xvg -0.5 -1.75 100.0 100.0
../../example/2d_cyclic/COLVAR-1.75+0.0.xvg +0.0 -1.75 100.0 100.0
../../example/2d_cyclic/COLVAR-1.75+0.25.xvg +0.25 -1.75 100.0 100.0
../../example/2d_cyclic/COLVAR-1.75+0.75.xvg +0.75 -1.75 100.0 100.0
../../example/2d_cyclic/COLVAR-1.75+1.0.xvg +1.0 -1.75 100.0 100.0
../../example/2d_cyclic/COLVAR-1.75+1.5.xvg +1.5 -1.75 100.0 100.0
../../example/2d_cyclic/COLVAR-1.75+1.75.xvg +1.75 -1.75 100.0 100.0
../../example/2d_cyclic/COLVAR-1.75+2.25.xvg +2.25 -1.75 100.0 100.0
../../example/2d_cyclic/COLVAR-1.75+2.5.xvg +2.5 -1.75 100.0 100.0
../../example/2d_cyclic/COLVAR-1.75+3.0.xvg +3.0 -1.75 100.0 100.0
../../example/2d_cyclic/COLVAR-1.5-3.0.xvg -3.0 -1.5 100.0 100.0
../../example/2d_cyclic/COLVAR-1.5-2.5.xvg -2.5 -1.5 100.0 100.0
../../example/2d_cyclic/COLVAR-1.5-2.25.xvg -2.25 -1.5 100.0 100.0
../../example/2d_cyclic/COLVAR-1.5-1.75.xvg -1.75 -1.5 100.0 100.0
../../example/2d_cyclic/COLVAR-1.5-1.5.xvg -1.5 -1.5 100.0 100.0
../../example/2d_cyclic/COLVAR-1.5-1.0.xvg -1.0 -1.5 100.0 100.0
../../example/2d_cyclic/COLVAR-1.5-0.75.xvg -0.75 -1.5 100.0 100.0
../../example/2d_cyclic/COLVAR-1.5-0.25.xvg -0.25 -1.5 100.0 100.0
../../example/2d_cyclic/COLVAR-1.5+0.0.xvg +0.0 -1.5 100.0 100.0
../../example/2d_cyclic/COLVAR-1.5+0.5.xvg +0.5 -1.5 100.0 100.0
../../example/2d_cyclic/COLVAR-1.5+0.75.xvg +0.75 -1.5 100.0 100.0
../../example/2d_cyclic/COLVAR-1.5+1.25.xvg +1.25 -1.5 100.0 100.0
../../example/2d_cyclic/COLVAR-1.5+1.5.xvg +1.5 -1.5 100.0 100.0
../../example/2d_cyclic/COLVAR-1.5+2.0.xvg +2.0 -1.5 100.0 100.0
../../example/2d_cyclic/COLVAR-1.5+2.25.xvg +2.25 -1.5 100.0 100.0
../../example/2d_cyclic/COLVAR-1.5+2.75.xvg +2.75 -1.5 100.0 100.0
../../example/2d_cyclic/COLVAR-1.5+3.0.xvg +3.0 -1.5 100.0 100.0
../../example/2d_cyclic/COLVAR-1.25-2.75.xvg -2.75 -1.25 100.0 100.0
../../example/2d_cyclic/COLVAR-1.25-2.5.xvg -2.5 -1.25 100.0 100.0
../../example/2d_cyclic/COLVAR-1.25-2.0.xvg -2.0 -1.25 100.0 100.0
../../example/2d_cyclic/COLVAR-1.25-1.75.xvg -1.75 -1.25 100.0 100.0
../../example/2d_cyclic/COLVAR-1.25-1.25.xvg -1.25 -1.25 100.0 100.0
../../example/2d_cyclic/COLVAR-1.25-1.0.xvg -1.0 -1.25 100.0 100.0
../../example/2d_cyclic/COLVAR-1.25-0.5.xvg -0.5 -1.25 100.0 100.0
../../example/2d_cyclic/COLVAR-1.25-0.25.xvg -0.25 -1.25 100.0 100.0
../../example/2d_cyclic/COLVAR-1.25+0.25.xvg +0.25 -1.25 100.0 100.0
../../example/2d_cyclic/COLVAR-1.25+0.5.xvg +0.5 -1.25 100.0 100.0
../../example/2d_cyclic/COLVAR-1.25+1.0.xvg +1.0 -1.25 100.0 100.0
../../example/2d_cyclic/COLVAR-1.25+1.25.xvg +1.25 -1.25 100.0 100.0
../../example/2d_cyclic/COLVAR-1.25+1.75.xvg +1.75 -1.25 100.0 100.0
../../example/2d_cyclic/COLVAR-1.25+2.0.xvg +2.0 -1.25 100.0 100.0
../../example/2d_cyclic/COLVAR-1.25+2.5.xvg +2.5 -1.25 100.0 100.0
../../example/2d_cyclic/COLVAR-1.25+2.75.xvg +2.75 -1.25 100.0 100.0
../../example/2d_cyclic/COLVAR-1.0-3.0.xvg -3.0 -1.0 100.0 100.0
../../example/2d_cyclic/COLVAR-1.0-2.75.xvg -2.75 -1.0 100.0 100.0
../../example/2d_cyclic/COLVAR-1.0-2.25.xvg -2.25 -1.0 100.0 100.0
../../example/2d_cyclic/COLVAR-1.0-2.0.xvg -2.0 -1.0 100.0 100.0
../../example/2d_cyclic/COLVAR-1.0-1.5.xvg -1.5 -1.0 100.0 100.0
../../example/2d_cyclic/COLVAR-1.0-1.25.xvg -1.25 -1.0 100.0 100.0
../../example/2d_cyclic/COLVAR-1.0-0.75.xvg -0.75 -1.0 100.0 100.0
../../example/2d_cyclic/COLVAR-1.0-0.5.xvg -0.5 -1.0 100.0 100.0
../../example/2d_cyclic/COLVAR-1.0+0.0.xvg +0.0 -1.0 100.0 100.0
../../example/2d_cyclic/COLVAR-1.0+0.25.xvg +0.25 -1.0 100.0 100.0
../../example/2d_cyclic/COLVAR-1.0+0.75.xvg +0.75 -1.0 100.0 100.0
../../example/2d_cyclic/COLVAR-1.0+1.0.xvg +1.0 -1.0 100.0 100.0
../../example/2d_cyclic/COLVAR-1.0+1.5.xvg +1.5 -1.0 100.0 100.0
../../example/2d_cyclic/COLVAR-1.0+1.75.xvg +1.75 -1.0 100.0 100.0
../../example/2d_cyclic/COLVAR-1.0+2.25.xvg +2.25 -1.0 100.0 100.0
../../example/2d_cyclic/COLVAR-1.0+2.5.xvg +2.5 -1.0 100.0 100.0
../../example/2d_cyclic/COLVAR-1.0+3.0.xvg +3.0 -1.0 100.0 100.0
../../example/2d_cyclic/COLVAR-0.75-3.0.xvg -3.0 -0.75 100.0 100.0
../../example/2d_cyclic/COLVAR-0.75-2.5.xvg -2.5 -0.75 100.0 100.0
../../example/2d_cyclic/COLVAR-0.75-2.25.xvg -2.25 -0.75 100.0 100.0
../../example/2d_cyclic/COLVAR-0.75-1.75.xvg -1.75 -0.75 100.0 100.0
../../example/2d_cyclic/COLVAR-0.75-1.5.xvg -1.5 -0.75 100.0 100.0
../../example/2d_cyclic/COLVAR-0.75-1.0.xvg -1.0 -0.75 100.0 100.0
../../example/2d_cyclic/COLVAR-0.75-0.75.xvg -0.75 -0.75 100.0 100.0
../../example/2d_cyclic/COLVAR-0.75-0.25.xvg -0.25 -0.75 100.0 100.0
../../example/2d_cyclic/COLVAR-0.75+0.0.xvg +0.0 -0.75 100.0 100.0
../../example/2d_cyclic/COLVAR-0.75+0.5.xvg +0.5 -0.75 100.0 100.0
../../example/2d_cyclic/COLVAR-0.75+0.75.xvg +0.75 -0.75 100.0 100.0
../../example/2d_cyclic/COLVAR-0.75+1.25.xvg +1.25 -0.75 100.0 100.0
../../example/2d_cyclic/COLVAR-0.75+1.5.xvg +1.5 -0.75 100.0 100.0
../../example/2d_cyclic/COLVAR-0.75+2.0.xvg +2.0 -0.75 100.0 100.0
../../example/2d_cyclic/COLVAR-0.75+2.25.xvg +2.25 -0.75 100.0 100.0
../../example/2d_cyclic/COLVAR-0.75+2.75.xvg +2.75 -0.75 100.0 100.0
../../example/2d_cyclic/COLVAR-0.75+3.0.xvg +3.0 -0.75 100.0 100.0
../../example/2d_cyclic/COLVAR-0.5-2.75.xvg -2.75 -0.5 100.0 100.0
../../example/2d_cyclic/COLVAR-0.5-2.5.xvg -2.5 -0.5 100.0 100.0
../../example/2d_cyclic/COLVAR-0.5-2.0.xvg -2.0 -0.5 100.0 100.0
../../example/2d_cyclic/COLVAR-0.5-1.75.xvg -1.75 -0.5 100.0 100.0
../../example/2d_cyclic/COLVAR-0.5-1.25.xvg -1.25 -0.5 100.0 100.0
../../example/2d_cyclic/COLVAR-0.5-1.0.xvg -1.0 -0.5 100.0 100.0
../../example/2d_cyclic/COLVAR-0.5-0.5.xvg -0.5 -0.5 100.0 100.0
../../example/2d_cyclic/COLVAR-0.5-0.25.xvg -0.25 -0.5 100.0 100.0
../../example/2d_cyclic/COLVAR-0.5+0.25.xvg +0.25 -0.5 100.0 100.0
../../example/2d_cyclic/COLVAR-0.5+0.5.xvg +0.5 -0.5 100.0 100.0
../../example/2d_cyclic/COLVAR-0.5+1.0.xvg +1.0 -0.5 100.0 100.0
../../example/2d_cyclic/COLVAR-0.5+1.25.xvg +1.25 -0.5 100.0 100.0
../../example/2d_cyclic/COLVAR-0.5+1.75.xvg +1.75 -0.5 100.0 100.0
../../example/2d_cyclic/COLVAR-0.5+2.0.xvg +2.0 -0.5 100.0 100.0
../../example/2d_cyclic/COLVAR-0.5+2.5.xvg +2.5 -0.5 100.0 100.0
../../example/2d_cyclic/COLVAR-0.5+2.75.xvg +2.75 -0.5 100.0 100.0
../../example/2d_cyclic/COLVAR-0.25-3.0.xvg -3.0 -0.25 100.0 100.0
../../example/2d_cyclic/COLVAR-0.25-2.75.xvg -2.75 -0.25 100.0 100.0
../../example/2d_cyclic/COLVAR-0.25-2.25.xvg -2.25 -0.25 100.0 100.0
../../example/2d_cyclic/COLVAR-0.25-2.0.xvg -2.0 -0.25 100.0 100.0
../../example/2d_cyclic/COLVAR-0.25-1.5.xvg -1.5 -0.25 100.0 100.0
../../example/2d_cyclic/COLVAR-0.25-1.25.xvg -1.25 -0.25 100.0 100.0
../../example/2d_cyclic/COLVAR-0.25-0.75.xvg -0.75 -0.25 100.0 100.0
../../example/2d_cyclic/COLVAR-0.25-0.5.xvg -0.5 -0.25 100.0 100.0
../../example/2d_cyclic/COLVAR-0.25+0.0.xvg +0.0 -0.25 100.0 100.0
../../example/2d_cyclic/COLVAR-0.25+0.25.xvg +0.25 -0.25 100.0 100.0
../../example/2d_cyclic/COLVAR-0.25+0.75.xvg +0.75 -0.25 100.0 100.0
../../example/2d_cyclic/COLVAR-0.25+1.0.xvg +1.0 -0.25 100.0 100.0
../../example/2d_cyclic/COLVAR-0.25+1.5.xvg +1.5 -0.25 100.0 100.0
../../example/2d_cyclic/COLVAR-0.25+1.75.xvg +1.75 -0.25 100.0 100.0
../../example/2d_cyclic/COLVAR-0.25+2.25.xvg +2.25 -0.25 100.0 100.0
../../example/2d_cyclic/COLVAR-0.25+2.5.xvg +2.5 -0.25 100.0 100.0
../../example/2d_cyclic/COLVAR-0.25+3.0.xvg +3.0 -0.25 100.0 100.0
../../example/2d_cyclic/COLVAR+0.0-3.0.xvg -3.0 +0.0 100.0 100.0
../../example/2d_cyclic/COLVAR+0.0-2.5.xvg -2.5 +0.0 100.0 100.0
../../example/2d_cyclic/COLVAR+0.0-2.25.xvg -2.25 +0.0 100.0 100.0
../../example/2d_cyclic/COLVAR+0.0-1.75.xvg -1.75 +0.0 100.0 100.0
../../example/2d_cyclic/COLVAR+0.0-1.5.xvg -1.5 +0.0 100.0 100.0
../../example/2d_cyclic/COLVAR+0.0-1.0.xvg -1.0 +0.0 100.0 100.0
../../example/2d_cyclic/COLVAR+0.0-0.75.xvg -0.75 +0.0 100.0 100.0
../../example/2d_cyclic/COLVAR+0.0-0.25.xvg -0.25 +0.0 100.0 100.0
../../example/2d_cyclic/COLVAR+0.0+0.0.xvg +0.0 +0.0 100.0 100.0
../../example/2d_cyclic/COLVAR+0.0+0.5.xvg +0.5 +0.0 100.0 100.0
../../example/2d_cyclic/COLVAR+0.0+0.75.xvg +0.75 +0.0 100.0 100.0
../../example/2d_cyclic/COLVAR+0.0+1.25.xvg +1.25 +0.0 100.0 100.0
../../example/2d_cyclic/COLVAR+0.0+1.5.xvg +1.5 +0.0 100.0 100.0
../../example/2d_cyclic/COLVAR+0.0+2.0.xvg +2.0 +0.0 100.0 100.0
../../example/2d_cyclic/COLVAR+0.0+2.25.xvg +2.25 +0.0 100.0 100.0
../../example/2d_cyclic/COLVAR+0.0+2.75.xvg +2.75 +0.0 100.0 100.0
../../example/2d_cyclic/COLVAR+0.0+3.0.xvg +3.0 +0.0 100.0 100.0
../../example/2d_cyclic/COLVAR+0.25-2.75.xvg -2.75 +0.25 100.0 100.0
../../example/2d_cyclic/COLVAR+0.25-2.5.xvg -2.5 +0.25 100.0 100.0
../../example/2d_cyclic/COLVAR+0.25-2.0.xvg -2.0 +0.25 100.0 100.0
../../example/2d_cyclic/COLVAR+0.25-1.75.xvg -1.75 +0.25 100.0 100.0
../../example/2d_cyclic/COLVAR+0.25-1.25.xvg -1.25 +0.25 100.0 100.0
../../example/2d_cyclic/COLVAR+0.25-1.0.xvg -1.0 +0.25 100.0 100.0
../../example/2d_cyclic/COLVAR+0.25-0.5.xvg -0.5 +0.25 100.0 100.0
../../example/2d_cyclic/COLVAR+0.25-0.25.xvg -0.25 +0.25 100.0 100.0
../../example/2d_cyclic/COLVAR+0.25+0.25.xvg +0.25 +0.25 100.0 100.0
../../example/2d_cyclic/COLVAR+0.25+0.5.xvg +0.5 +0.25 100.0 100.0
../../example/2d_cyclic/COLVAR+0.25+1.0.xvg +1.0 +0.25 100.0 100.0
../../example/2d_cyclic/COLVAR+0.25+1.25.xvg +1.25 +0.25 100.0 100.0
../../example/2d_cyclic/COLVAR+0.25+1.75.xvg +1.75 +0.25 100.0 100.0
../../example/2d_cyclic/COLVAR+0.25+2.0.xvg +2.0 +0.25 100.0 100.0
../../example/2d_cyclic/COLVAR+0.25+2.5.xvg +2.5 +0.25 100.0 100.0
../../example/2d_cyclic/COLVAR+0.25+2.75.xvg +2.75 +0.25 100.0 100.0
../../example/2d_cyclic/COLVAR+0.5-3.0.xvg -3.0 +0.5 100.0 100.0
../../example/2d_cyclic/COLVAR+0.5-2.75.xvg -2.75 +0.5 100.0 100.0
../../example/2d_cyclic/COLVAR+0.5-2.25.xvg -2.25 +0.5 100.0 100.0
../../example/2d_cyclic/COLVAR+0.5-2.0.xvg -2.0 +0.5 100.0 100.0
../../example/2d_cyclic/COLVAR+0.5-1.5.xvg -1.5 +0.5 100.0 100.0
../../example/2d_cyclic/COLVAR+0.5-1.25.xvg -1.25 +0.5 100.0 100.0
../../example/2d_cyclic/COLVAR+0.5-0.75.xvg -0.75 +0.5 100.0 100.0
../../example/2d_cyclic/COLVAR+0.5-0.5.xvg -0.5 +0.5 100.0 100.0
../../example/2d_cyclic/COLVAR+0.5+0.0.xvg +0.0 +0.5 100.0 100.0
../../example/2d_cyclic/COLVAR+0.5+0.25.xvg +0.25 +0.5 100.0 100.0
../../example/2d_cyclic/COLVAR+0.5+0.75.xvg +0.75 +0.5 100.0 100.0
../../example/2d_cyclic/COLVAR+0.5+1.0.xvg +1.0 +0.5 100.0 100.0
../../example/2d_cyclic/COLVAR+0.5+1.5.xvg +1.5 +0.5 100.0 100.0
../../example/2d_cyclic/COLVAR+0.5+1.75.xvg +1.75 +0.5 100.0 100.0
../../example/2d_cyclic/COLVAR+0.5+2.25.xvg +2.25 +0.5 100.0 100.0
../../example/2d_cyclic/COLVAR+0.5+2.5.xvg +2.5 +0.5 100.0 100.0
../../example/2d_cyclic/COLVAR+0.5+3.0.xvg +3.0 +0.5 100.0 100.0
../../example/2d_cyclic/COLVAR+0.75-3.0.xvg -3.0 +0.75 100.0 100.0
../../example/2d_cyclic/COLVAR+0.75-2.5.xvg -2.5 +0.75 100.0 100.0
../../example/2d_cyclic/COLVAR+0.75-2.25.xvg -2.25 +0.75 100.0 100.0
../../example/2d_cyclic/COLVAR+0.75-1.75.xvg -1.75 +0.75 100.0 100.0
../../example/2d_cyclic/COLVAR+0.75-1.5.xvg -1.5 +0.75 100.0 100.0
../../example/2d_cyclic/COLVAR+0.75-1.0.xvg -1.0 +0.75 100.0 100.0
../../example/2d_cyclic/COLVAR+0.75-0.75.xvg -0.75 +0.75 100.0 100.0
../../example/2d_cyclic/COLVAR+0.75-0.25.xvg -0.25 +0.75 100.0 100.0
../../example/2d_cyclic/COLVAR+0.75+0.0.xvg +0.0 +0.75 100.0 100.0
../../example/2d_cyclic/COLVAR+0.75+0.5.xvg +0.5 +0.75 100.0 100.0
../../example/2d_cyclic/COLVAR+0.75+0.75.xvg +0.75 +0.75 100.0 100.0
../../example/2d_cyclic/COLVAR+0.75+1.25.xvg +1.25 +0.75 100.0 100.0
../../example/2d_cyclic/COLVAR+0.75+1.5.xvg +1.5 +0.75 100.0 100.0
../../example/2d_cyclic/COLVAR+0.75+2.0.xvg +2.0 +0.75 100.0 100.0
../../example/2d_cyclic/COLVAR+0.75+2.25.xvg +2.25 +0.75 100.0 100.0
../../example/2d_cyclic/COLVAR+0.75+2.75.xvg +2.75 +0.75 100.0 100.0
../../example/2d_cyclic/COLVAR+0.75+3.0.xvg +3.0 +0.75 100.0 100.0
../../example/2d_cyclic/COLVAR+1.0-2.75.xvg -2.75 +1.0 100.0 100.0
../../example/2d_cyclic/COLVAR+1.0-2.5.xvg -2.5 +1.0 100.0 100.0
../../example/2d_cyclic/COLVAR+1.0-2.0.xvg -2.0 +1.0 100.0 100.0
../../example/2d_cyclic/COLVAR+1.0-1.75.xvg -1.75 +1.0 100.0 100.0
../../example/2d_cyclic/COLVAR+1.0-1.25.xvg -1.25 +1.0 100.0 100.0
../../example/2d_cyclic/COLVAR+1.0-1.0.xvg -1.0 +1.0 100.0 100.0
../../example/2d_cyclic/COLVAR+1.0-0.5.xvg -0.5 +1.0 100.0 100.0
../../example/2d_cyclic/COLVAR+1.0-0.25.xvg -0.25 +1.0 100.0 100.0
../../example/2d_cyclic/COLVAR+1.0+0.25.xvg +0.25 +1.0 100.0 100.0
../../example/2d_cyclic/COLVAR+1.0+0.5.xvg +0.5 +1.0 100.0 100.0
../../example/2d_cyclic/COLVAR+1.0+1.0.xvg +1.0 +1.0 100.0 100.0
../../example/2d_cyclic/COLVAR+1.0+1.25.xvg +1.25 +1.0 100.0 100.0
../../example/2d_cyclic/COLVAR+1.0+1.75.xvg +1.75 +1.0 100.0 100.0
../../example/2d_cyclic/COLVAR+1.0+2.0.xvg +2.0 +1.0 100.0 100.0
../../example/2d_cyclic/COLVAR+1.0+2.5.xvg +2.5 +1.0 100.0 100.0
../../example/2d_cyclic/COLVAR+1.0+2.75.xvg +2.75 +1.0 100.0 100.0
../../example/2d_cyclic/COLVAR+1.25-3.0.xvg -3.0 +1.25 100.0 100.0
../../example/2d_cyclic/COLVAR+1.25-2.75.xvg -2.75 +1.25 100.0 100.0
../../example/2d_cyclic/COLVAR+1.25-2.25.xvg -2.25 +1.25 100.0 100.0
../../example/2d_cyclic/COLVAR+1.25-2.0.xvg -2.0 +1.25 100.0 100.0
../../example/2d_cyclic/COLVAR+1.25-1.5.xvg -1.5 +1.25 100.0 100.0
../../example/2d_cyclic/COLVAR+1.25-1.25.xvg -1.25 +1.25 100.0 100.0
../../example/2d_cyclic/COLVAR+1.25-0.75.xvg -0.75 +1.25 100.0 100.0
../../example/2d_cyclic/COLVAR+1.25-0.5.xvg -0.5 +1.25 100.0 100.0
../../example/2d_cyclic/COLVAR+1.25+0.0.xvg +0.0 +1.25 100.0 100.0
../../example/2d_cyclic/COLVAR+1.25+0.25.xvg +0.25 +1.25 100.0 100.0
../../example/2d_cyclic/COLVAR+1.25+0.75.xvg +0.75 +1.25 100.0 100.0
../../example/2d_cyclic/COLVAR+1.25+1.0.xvg +1.0 +1.25 100.0 100.0
../../example/2d_cyclic/COLVAR+1.25+1.5.xvg +1.5 +1.25 100.0 100.0
../../example/2d_cyclic/COLVAR+1.25+1.75.xvg +1.75 +1.25 100.0 100.0
../../example/2d_cyclic/COLVAR+1.25+2.25.xvg +2.25 +1.25 100.0 100.0
../../example/2d_cyclic/COLVAR+1.25+2.5.xvg +2.5 +1.25 100.0 100.0
../../example/2d_cyclic/COLVAR+1.25+3.0.xvg +3.0 +1.25 100.0 100.0
../../example/2d_cyclic/COLVAR+1.5-3.0.xvg -3.0 +1.5 100.0 100.0
../../example/2d_cyclic/COLVAR+1.5-2.5.xvg -2.5 +1.5 100.0 100.0
../../example/2d_cyclic/COLVAR+1.5-2.25.xvg -2.25 +1.5 100.0 100.0
../../example/2d_cyclic/COLVAR+1.5-1.75.xvg -1.75 +1.5 100.0 100.0
../../example/2d_cyclic/COLVAR+1.5-1.5.xvg -1.5 +1.5 100.0 100.0
../../example/2d_cyclic/COLVAR+1.5-1.0.xvg -1.0 +1.5 100.0 100.0
../../example/2d_cyclic/COLVAR+1.5-0.75.xvg -0.75 +1.5 100.0 100.0
../../example/2d_cyclic/COLVAR+1.5-0.25.xvg -0.25 +1.5 100.0 100.0
../../example/2d_cyclic/COLVAR+1.5+0.0.xvg +0.0 +1.5 100.0 100.0
../../example/2d_cyclic/COLVAR+1.5+0.5.xvg +0.5 +1.5 100.0 100.0
../../example/2d_cyclic/COLVAR+1.5+0.75.xvg +0.75 +1.5 100.0 100.0
../../example/2d_cyclic/COLVAR+1.5+1.25.xvg +1.25 +1.5 100.0 100.0
../../example/2d_cyclic/COLVAR+1.5+1.5.xvg +1.5 +1.5 100.0 100.0
../../example/2d_cyclic/COLVAR+1.5+2.0.xvg +2.0 +1.5 100.0 100.0
../../example/2d_cyclic/COLVAR+1.5+2.25.xvg +2.25 +1.5 100.0 100.0
../../example/2d_cyclic/COLVAR+1.5+2.75.xvg +2.75 +1.5 100.0 100.0
../../example/2d_cyclic/COLVAR+1.5+3.0.xvg +3.0 +1.5 100.0 100.0
../../example/2d_cyclic/COLVAR+1.75-2.75.xvg -2.75 +1.75 100.0 100.0
../../example/2d_cyclic/COLVAR+1.75-2.5.xvg -2.5 +1.75 100.0 100.0
../../example/2d_cyclic/COLVAR+1.75-2.0.xvg -2.0 +1.75 100.0 100.0
../../example/2d_cyclic/COLVAR+1.75-1.75.xvg -1.75 +1.75 100.0 100.0
../../example/2d_cyclic/COLVAR+1.75-1.25.xvg -1.25 +1.75 100.0 100.0
../../example/2d_cyclic/COLVAR+1.75-1.0.xvg -1.0 +1.75 100.0 100.0
../../example/2d_cyclic/COLVAR+1.75-0.5.xvg -0.5 +1.75 100.0 100.0
../../example/2d_cyclic/COLVAR+1.75-0.25.xvg -0.25 +1.75 100.0 100.0
../../example/2d_cyclic/COLVAR+1.75+0.25.xvg +0.25 +1.75 100.0 100.0
../../example/2d_cyclic/COLVAR+1.75+0.5.xvg +0.5 +1.75 100.0 100.0
../../example/2d_cyclic/COLVAR+1.75+1.0.xvg +1.0 +1.75 100.0 100.0
../../example/2d_cyclic/COLVAR+1.75+1.25.xvg +1.25 +1.75 100.0 100.0
../../example/2d_cyclic/COLVAR+1.75+1.75.xvg +1.75 +1.75 100.0 100.0
../../example/2d_cyclic/COLVAR+1.75+2.0.xvg +2.0 +1.75 100.0 100.0
../../example/2d_cyclic/COLVAR+1.75+2.5.xvg +2.5 +1.75 100.0 100.0
../../example/2d_cyclic/COLVAR+1.75+2.75.xvg +2.75 +1.75 100.0 100.0
../../example/2d_cyclic/COLVAR+2.0-3.0.xvg -3.0 +2.0 100.0 100.0
../../example/2d_cyclic/COLVAR+2.0-2.75.xvg -2.75 +2.0 100.0 100.0
../../example/2d_cyclic/COLVAR+2.0-2.25.xvg -2.25 +2.0 100.0 100.0
../../example/2d_cyclic/COLVAR+2.0-2.0.xvg -2.0 +2.0 100.0 100.0
../../example/2d_cyclic/COLVAR+2.0-1.5.xvg -1.5 +2.0 100.0 100.0
../../example/2d_cyclic/COLVAR+2.0-1.25.xvg -1.25 +2.0 100.0 100.0
../../example/2d_cyclic/COLVAR+2.0-0.75.xvg -0.75 +2.0 100.0 100.0
../../example/2d_cyclic/COLVAR+2.0-0.5.xvg -0.5 +2.0 100.0 100.0
../../example/2d_cyclic/COLVAR+2.0+0.0.xvg +0.0 +2.0 100.0 100.0
../../example/2d_cyclic/COLVAR+2.0+0.25.xvg +0.25 +2.0 100.0 100.0
../../example/2d_cyclic/COLVAR+2.0+0.75.xvg +0.75 +2.0 100.0 100.0
../../example/2d_cyclic/COLVAR+2.0+1.0.xvg +1.0 +2.0 100.0 100.0
../../example/2d_cyclic/COLVAR+2.0+1.5.xvg +1.5 +2.0 100.0 100.0
../../example/2d_cyclic/COLVAR+2.0+1.75.xvg +1.75 +2.0 100.0 100.0
../../example/2d_cyclic/COLVAR+2.0+2.25.xvg +2.25 +2.0 100.0 100.0
../../example/2d_cyclic/COLVAR+2.0+2.5.xvg +2.5 +2.0 100.0 100.0
../../example/2d_cyclic/COLVAR+2.0+3.0.xvg +3.0 +2.0 100.0 100.0
../../example/2d_cyclic/COLVAR+2.25-3.0.xvg -3.0 +2.25 100.0 100.0
../../example/2d_cyclic/COLVAR+2.25-2.5.xvg -2.5 +2.25 100.0 100.0
../../example/2d_cyclic/COLVAR+2.25-2.25.xvg -2.25 +2.25 100.0 100.0
../../example/2d_cyclic/COLVAR+2.25-1.75.xvg -1.75 +2.25 100.0 100.0
../../example/2d_cyclic/COLVAR+2.25-1.5.xvg -1.5 +2.25 100.0 100.0
../../example/2d_cyclic/COLVAR+2.25-1.0.xvg -1.0 +2.25 100.0 100.0
../../example/2d_cyclic/COLVAR+2.25-0.75.xvg -0.75 +2.25 100.0 100.0
../../example/2d_cyclic/COLVAR+2.25-0.25.xvg -0.25 +2.25 100.0 100.0
../../example/2d_cyclic/COLVAR+2.25+0.0.xvg +0.0 +2.25 100.0 100.0
../../example/2d_cyclic/COLVAR+2.25+0.5.xvg +0.5 +2.25 100.0 100.0
../../example/2d_cyclic/COLVAR+2.25+0.75.xvg +0.75 +2.25 100.0 100.0
../../example/2d_cyclic/COLVAR+2.25+1.25.xvg +1.25 +2.25 100.0 100.0
../../example/2d_cyclic/COLVAR+2.25+1.5.xvg +1.5 +2.25 100.0 100.0
../../example/2d_cyclic/COLVAR+2.25+2.0.xvg +2.0 +2.25 100.0 100.0
../../example/2d_cyclic/COLVAR+2.25+2.25.xvg +2.25 +2.25 100.0 100.0
../../example/2d_cyclic/COLVAR+2.25+2.75.xvg +2.75 +2.25 100.0 100.0
../../example/2d_cyclic/COLVAR+2.25+3.0.xvg +3.0 +2.25 100.0 100.0
../../example/2d_cyclic/COLVAR+2.5-2.75.xvg -2.75 +2.5 100.0 100.0
../../example/2d_cyclic/COLVAR+2.5-2.5.xvg -2.5 +2.5 100.0 100.0
../../example/2d_cyclic/COLVAR+2.5-2.0.xvg -2.0 +2.5 100.0 100.0
../../example/2d_cyclic/COLVAR+2.5-1.75.xvg -1.75 +2.5 100.0 100.0
../../example/2d_cyclic/COLVAR+2.5-1.25.xvg -1.25 +2.5 100.0 100.0
../../example/2d_cyclic/COLVAR+2.5-1.0.xvg -1.0 +2.5 100.0 100.0
../../example/2d_cyclic/COLVAR+2.5-0.5.xvg -0.5 +2.5 100.0 100.0
../../example/2d_cyclic/COLVAR+2.5-0.25.xvg -0.25 +2.5 100.0 100.0
../../example/2d_cyclic/COLVAR+2.5+0.25.xvg +0.25 +2.5 100.0 100.0
../../example/2d_cyclic/COLVAR+2.5+0.5.xvg +0.5 +2.5 100.0 100.0
../../example/2d_cyclic/COLVAR+2.5+1.0.xvg +1.0 +2.5 100.0 100.0
../../example/2d_cyclic/COLVAR+2.5+1.25.xvg +1.25 +2.5 100.0 100.0
../../example/2d_cyclic/COLVAR+2.5+1.75.xvg +1.75 +2.5 100.0 100.0
../../example/2d_cyclic/COLVAR+2.5+2.0.xvg +2.0 +2.5 100.0 100.0
../../example/2d_cyclic/COLVAR+2.5+2.5.xvg +2.5 +2.5 100.0 100.0
../../example/2d_cyclic/COLVAR+2.5+2.75.xvg +2.75 +2.5 100.0 100.0
../../example/2d_cyclic/COLVAR+2.75-3.0.xvg -3.0 +2.75 100.0 100.0
../../example/2d_cyclic/COLVAR+2.75-2.75.xvg -2.75 +2.75 100.0 100.0
../../example/2d_cyclic/COLVAR+2.75-2.25.xvg -2.25 +2.75 100.0 100.0
../../example/2d_cyclic/COLVAR+2.75-2.0.xvg -2.0 +2.75 100.0 100.0
../../example/2d_cyclic/COLVAR+2.75-1.5.xvg -1.5 +2.75 100.0 100.0
../../example/2d_cyclic/COLVAR+2.75-1.25.xvg -1.25 +2.75 100.0 100.0
../../example/2d_cyclic/COLVAR+2.75-0.75.xvg -0.75 +2.75 100.0 100.0
../../example/2d_cyclic/COLVAR+2.75-0.5.xvg -0.5 +2.75 100.0 100.0
../../example/2d_cyclic/COLVAR+2.75+0.0.xvg +0.0 +2.75 100.0 100.0
../../example/2d_cyclic/COLVAR+2.75+0.25.xvg +0.25 +2.75 100.0 100.0
../../example/2d_cyclic/COLVAR+2.75+0.75.xvg +0.75 +2.75 100.0 100.0
../../example/2d_cyclic/COLVAR+2.75+1.0.xvg +1.0 +2.75 100.0 100.0
../../example/2d_cyclic/COLVAR+2.75+1.5.xvg +1.5 +2.75 100.0 100.0
../../example/2d_cyclic/COLVAR+2.75+1.75.xvg +1.75 +2.75 100.0 100.0
../../example/2d_cyclic/COLVAR+2.75+2.25.xvg +2.25 +2.75 100.0 100.0
../../example/2d_cyclic/COLVAR+2.75+2.5.xvg +2.5 +2.75 100.0 100.0
../../example/2d_cyclic/COLVAR+2.75+3.0.xvg +3.0 +2.75 100.0 100.0
../../example/2d_cyclic/COLVAR+3.0-3.0.xvg -3.0 +3.0 100.0 100.0
../../example/2d_cyclic/COLVAR+3.0-2.5.xvg -2.5 +3.0 100.0 100.0
../../example/2d_cyclic/COLVAR+3.0-2.25.xvg -2.25 +3.0 100.0 100.0
../../example/2d_cyclic/COLVAR+3.0-1.75.xvg -1.75 +3.0 100.0 100.0
../../example/2d_cyclic/COLVAR+3.0-1.5.xvg -1.5 +3.0 100.0 100.0
../../example/2d_cyclic/COLVAR+3.0-1.0.xvg -1.0 +3.0 100.0 100.0
../../example/2d_cyclic/COLVAR+3.0-0.75.xvg -0.75 +3.0 100.0 100.0
../../example/2d_cyclic/COLVAR+3.0-0.25.xvg -0.25 +3.0 100.0 100.0
../../example/2d_cyclic/COLVAR+3.0+0.0.xvg +0.0 +3.0 100.0 100.0
../../example/2d_cyclic/COLVAR+3.0+0.5.xvg +0.5 +3.0 100.0 100.0
../../example/2d_cyclic/COLVAR+3.0+0.75.xvg +0.75 +3.0 100.0 100.0
../../example/2d_cyclic/COLVAR+3.0+1.25.xvg +1.25 +3.0 100.0 100.0
../../example/2d_cyclic/COLVAR+3.0+1.5.xvg +1.5 +3.0 100.0 100.0
../../example/2d_cyclic/COLVAR+3.0+2.0.xvg +2.0 +3.0 100.0 100.0
../../example/2d_cyclic/COLVAR+3.0+2.25.xvg +2.25 +3.0 100.0 100.0
../../example/2d_cyclic/COLVAR+3.0+2.75.xvg +2.75 +3.0 100.0 100.0
../../example/2d_cyclic/COLVAR+3.0+3.0.xvg +3.0 +3.0 100.0 100.0

14
tests/examples.rs
View File

@@ -113,7 +113,7 @@ mod integration {
} }
#[test] #[test]
#[ignore] // #[ignore]
fn wham_1d_cyclic_bootstrap() { fn wham_1d_cyclic_bootstrap() {
let output_file = "/tmp/wham_test_1d_cyclic_bt.out"; let output_file = "/tmp/wham_test_1d_cyclic_bt.out";
get_command() get_command()
@@ -136,20 +136,22 @@ mod integration {
} }
#[test] #[test]
#[ignore] // expensive // #[ignore] // expensive
fn wham_2d_cyclic() { fn wham_2d_cyclic() {
let output_file = "/tmp/wham_test_2d_cyclic.out"; let output_file = "/tmp/wham_test_2d_cyclic.out";
let out=
get_command() get_command()
.args(&["--bins", "100,100", "--max", "pi,pi", "--min", "-pi,-pi", "-T", "300", "--cyclic"]) .args(&["--bins", "50,50", "--max", "pi,pi", "--min", "-pi,-pi", "-T", "300", "--cyclic"])
.args(&["-f", "example/2d_cyclic/metadata.dat"]) .args(&["--tolerance", "0.001"])
.args(&["-f", "tests/data/metadata_2d_cyclic_reduced.dat"])
.args(&["-o", output_file]) .args(&["-o", output_file])
.output() .output()
.expect("failed to execute process"); .expect("failed to execute process");
println!("{:?}", out);
assert!(fs::metadata(output_file).is_ok()); assert!(fs::metadata(output_file).is_ok());
let output = Command::new("diff") let output = Command::new("diff")
.arg(output_file) .arg(output_file)
.arg("example/2d_cyclic/wham.out") .arg("tests/data/2d_cyclic_reduced.out")
.output() .output()
.expect("failed to run diff"); .expect("failed to run diff");
let output_len = String::from_utf8_lossy(&output.stdout).len(); let output_len = String::from_utf8_lossy(&output.stdout).len();