Changeset bd19c1 for tests/Python/ForceAnnealing/testsuite-python-forceannealing-ising.at

Timestamp:

Jun 20, 2018, 8:21:14 AM (7 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.6.1, ChemicalSpaceEvaluator, Exclude_Hydrogens_annealWithBondGraph, ForceAnnealing_with_BondGraph_contraction-expansion

Children:

0682c2

Parents:

06536b

git-author:

Frederik Heber <frederik.heber@…> (06/15/18 20:08:26)

git-committer:

Frederik Heber <frederik.heber@…> (06/20/18 08:21:14)

Message:

Capping BB update step at 0.2 and general BB stepwidth at maximum of 1.

• TESTFIX: Python regression tests on ForceAnnealing for five carbon have been modified. With bondgraph results are not as good as before.

File:

• tests/Python/ForceAnnealing/testsuite-python-forceannealing-ising.at (modified) (1 diff)

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

@@ -64 +64 @@
 
 file=five_carbon_test.data
-AT_CHECK([../../run ${abs_top_srcdir}/tests/Python/ForceAnnealing/pre/ising_model_chain.py ./$file ./ 15 5 "1"], 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 ./ 30 5 "1"], 0, [stdout], [ignore])
+AT_CHECK([grep "Largest remaining force components.*0.00" stdout], 0, [ignore], [ignore])
 AT_CHECK([diff $file ${abs_top_srcdir}/tests/Python/ForceAnnealing/post/five_carbon_test_bondgraph.data], 0, [ignore], [ignore])