Changeset 8d56a6 for tests/regression/Options/DryRun/post/session.py

Timestamp:

Jun 21, 2018, 8:31:25 AM (7 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.6.1, ChemicalSpaceEvaluator

Children:

d83d64, f5ea10

Parents:

3e334e (diff), 4fc0ea (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'TremoloParser_IncreasedPrecision' into Candidate_v1.6.1

Conflicts:

tests/Python/ForceAnnealing/post/five_carbon_test_bondgraph.data
tests/Python/ForceAnnealing/post/five_carbon_test_no-bondgraph.data

File:

• tests/regression/Options/DryRun/post/session.py (modified) (1 diff)

tests/regression/Options/DryRun/post/session.py

@@ -2 +2 @@
 # ========================== Stored Session BEGIN ==========================
 pyMoleCuilder.CommandDryRun()
-pyMoleCuilder.WorldInput("hydrogen.xyz")
-pyMoleCuilder.AtomAdd("1", "0,0,0")
+pyMoleCuilder.WorldInput(input="hydrogen.xyz")
+pyMoleCuilder.AtomAdd(add_atom="1", domain_position="0,0,0")
 pyMoleCuilder.SelectionAllAtoms()
-pyMoleCuilder.AtomTranslate("5,5,5", "0")
+pyMoleCuilder.AtomTranslate(position="5,5,5", periodic="0")
 pyMoleCuilder.CommandNoDryRun()
 # =========================== Stored Session END ===========================