Changeset e72d94

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:

8c0ac9

Parents:

31baf0

git-author:

Frederik Heber <frederik.heber@…> (06/14/18 11:48:20)

git-committer:

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

Message:

TESTFIX: threshold check in integration tests on structure optimization was broken.

• parsed value $i needs to be force into numeric context by adding zero.

Location:

tests/integration/StructureOptimization

Files:

• testsuite-integration-structureoptimization-methane.at (modified) (1 diff)
• testsuite-integration-structureoptimization-water.at (modified) (1 diff)

tests/integration/StructureOptimization/testsuite-integration-structureoptimization-methane.at

@@ -74 +74 @@
 echo "remaining components are ($components)"
 threshold="1.2e-3"
-AT_CHECK([echo "$components" | awk -v threshold="$threshold" -F"\t" '{ for (i=0;i<3;++i) { if (($i > threshold) || ($i < -threshold)) exit 5} }'], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
+AT_CHECK([echo "$components" | awk -v threshold="$threshold" -F"\t" '{ for (i=0;i<3;++i) { if ((($i+0.) > (threshold+0.)) || (($i+0.) < (-threshold+0.))) exit 5} }'], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
 
 # send removeall to server such that all workers shutdown

tests/integration/StructureOptimization/testsuite-integration-structureoptimization-water.at

@@ -74 +74 @@
 echo "remaining components are ($components)"
 threshold="6e-4"
-AT_CHECK([echo "$components" | awk -v threshold="$threshold" -F"\t" '{ for (i=0;i<3;++i) { if (($i > threshold) || ($i < -threshold)) exit 5} }'], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
+AT_CHECK([echo "$components" | awk -v threshold="$threshold" -F"\t" '{ for (i=0;i<3;++i) { if ((($i+0.) > (threshold+0.)) || (($i+0.) < (-threshold+0.))) exit 5} }'], 0, [ignore], [ignore], [kill $server_pid $worker_pid])
 
 # send removeall to server such that all workers shutdown