Changeset 12d20c for tests/Python/ForceAnnealing/testsuite-python-forceannealing-ising.at

Timestamp:

Jul 20, 2017, 9:38:38 AM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

ForceAnnealing_with_BondGraph_continued

Children:

461a7f

Parents:

698308

git-author:

Frederik Heber <frederik.heber@…> (06/27/17 22:39:05)

git-committer:

Frederik Heber <frederik.heber@…> (07/20/17 09:38:38)

Message:

Fixed and extended Python tests on ForceAnnealing with and without bondgraph.

File:

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

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

@@ -18 +18 @@
 # Force Annealing with Ising model
 
-AT_SETUP([Python externalization - Force Annealing with Ising])
+AT_SETUP([Python externalization - Force Annealing without bondgraph on 2-body Ising model])
+AT_KEYWORDS([python force-annealing ising])
+
+# we use forces from a simple Ising model with 2 "carbon" atoms in a row along the x axis
+
+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([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])
+
+AT_CLEANUP
+
+AT_SETUP([Python externalization - Force Annealing without bondgraph on 5-body Ising model])
 AT_KEYWORDS([python force-annealing ising])
 
@@ -24 +36 @@
 
 file=five_carbon_test.data
-AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/Python/ForceAnnealing/pre/$file $file], 0)
-AT_CHECK([chmod u+w $file], 0)
-AT_CHECK([../../run ${abs_top_srcdir}/tests/Python/ForceAnnealing/pre/five_carbon_test.py ./$file ./], 0, [stdout], [ignore])
-AT_CHECK([diff $file ${abs_top_srcdir}/tests/Python/ForceAnnealing/post/$file], 0, [ignore], [ignore])
+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([diff $file ${abs_top_srcdir}/tests/Python/ForceAnnealing/post/five_carbon_test_no-bondgraph.data], 0, [ignore], [ignore])
 
 AT_CLEANUP
+
+AT_SETUP([Python externalization - Force Annealing with bondgraph on 2-body Ising model])
+AT_KEYWORDS([python force-annealing ising bondgraph])
+
+# we use forces from a simple Ising model with 2 "carbon" atoms in a row along the x axis
+
+file=two_carbon_test.data
+AT_CHECK([../../run ${abs_top_srcdir}/tests/Python/ForceAnnealing/pre/ising_model_chain.py ./$file ./ 30 2 "1"], 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_bondgraph.data], 0, [ignore], [ignore])
+
+AT_CLEANUP
+
+AT_SETUP([Python externalization - Force Annealing with bondgraph on 5-body Ising model])
+AT_KEYWORDS([python force-annealing ising bondgraph])
+
+# we use forces from a simple Ising model with 5 "carbon" atoms in a row along the x axis
+
+file=five_carbon_test.data
+AT_CHECK([../../run ${abs_top_srcdir}/tests/Python/ForceAnnealing/pre/ising_model_chain.py ./$file ./ 20 5 "1"], 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_bondgraph.data], 0, [ignore], [ignore])
+
+AT_CLEANUP