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fix test
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xiki-tempula committed Nov 22, 2024
1 parent 1652bca commit ae59eff
Showing 1 changed file with 4 additions and 4 deletions.
8 changes: 4 additions & 4 deletions tests/Sandpit/Exscientia/FreeEnergy/test_restraint.py
Original file line number Diff line number Diff line change
Expand Up @@ -207,18 +207,18 @@ def test_bented_angle(self, Topology):
assert ak == "1496"
assert type == "10"
assert thA == "90.000"
assert kA == "4.184"
assert kA == "4.18"
assert thB == "90.000"
assert kB == "41.84"
assert kB == "4.18"
ai, aj, ak, type, thA, kA, thB, kB = Topology[9].split()
assert ai == "1"
assert aj == "1496"
assert ak == "1497"
assert type == "10"
assert thA == "90.000"
assert kA == "4.184"
assert kA == "4.18"
assert thB == "90.000"
assert kB == "41.84"
assert kB == "4.18"

def test_dihedral(self, Topology):
ai, aj, ak, al, type, phiA, kA, phiB, kB = Topology[12].split()
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