Changeset 90ece9 for tests/Python/ForceAnnealing/testsuite-python-forceannealing-ising.at

Timestamp:

Apr 10, 2018, 6:43:31 AM (7 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

AutomationFragmentation_failures, Candidate_v1.6.1, ChemicalSpaceEvaluator, Exclude_Hydrogens_annealWithBondGraph, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_contraction-expansion, Gui_displays_atomic_force_velocity, PythonUI_with_named_parameters, StoppableMakroAction, TremoloParser_IncreasedPrecision

Children:

8450da

Parents:

0c4f24

git-author:

Frederik Heber <frederik.heber@…> (08/02/17 21:56:13)

git-committer:

Frederik Heber <frederik.heber@…> (04/10/18 06:43:31)

Message:

TESTFIX: Fixes to Python tests due to changed anneal() and modified way of trajectory steps usage.

• TESTS: Removed XFAIL from ForceAnnealing python tests.

File:

• tests/Python/ForceAnnealing/testsuite-python-forceannealing-ising.at (modified) (2 diffs)

tests/Python/ForceAnnealing/testsuite-python-forceannealing-ising.at

@@ -24 +24 @@
 
 file=two_carbon_test.data
-AT_CHECK([../../run ${abs_top_srcdir}/tests/Python/ForceAnnealing/pre/ising_model_chain.py ./$file ./ 15 2 "0"], 0, [stdout], [ignore])
+AT_CHECK([../../run ${abs_top_srcdir}/tests/Python/ForceAnnealing/pre/ising_model_chain.py ./$file ./ 3 2 "0"], 0, [stdout], [ignore])
 AT_CHECK([grep "Largest remaining force components.*e-05" stdout], 0, [ignore], [ignore])
 AT_CHECK([diff $file ${abs_top_srcdir}/tests/Python/ForceAnnealing/post/two_carbon_test_no-bondgraph.data], 0, [ignore], [ignore])
@@ -37 +37 @@
 
 file=five_carbon_test.data
-AT_CHECK([../../run ${abs_top_srcdir}/tests/Python/ForceAnnealing/pre/ising_model_chain.py ./$file ./ 20 5 "0"], 0, [stdout], [ignore])
-AT_CHECK([grep "Largest remaining force components.*e-05" stdout], 0, [ignore], [ignore])
+AT_CHECK([../../run ${abs_top_srcdir}/tests/Python/ForceAnnealing/pre/ising_model_chain.py ./$file ./ 15 5 "0"], 0, [stdout], [ignore])
+AT_CHECK([grep "Largest remaining force components.*0.0001" stdout], 0, [ignore], [ignore])
 AT_CHECK([diff $file ${abs_top_srcdir}/tests/Python/ForceAnnealing/post/five_carbon_test_no-bondgraph.data], 0, [ignore], [ignore])