Changeset fd3788

Timestamp:

Feb 3, 2011, 9:59:58 AM (14 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

4e855e

Parents:

89c953

git-author:

Frederik Heber <heber@…> (01/17/11 17:35:34)

git-committer:

Frederik Heber <heber@…> (02/03/11 09:59:58)

Message:

Corrected CLEANUP use for Tesselations tests.

• CLEANUP wrongly contained cd ..
• trap is now evaluating CLEANUP variable on call not before.
• This allows for clearing of CLEANUP in case of execution failure of the test.

Location:

tests/Tesselations

Files:

• Makefile.am (modified) (1 diff)
• defs.in (modified) (4 diffs)

tests/Tesselations/Makefile.am

@@ -16 +16 @@
 
 #       heptan.test
+
+${TESTS}: defs

tests/Tesselations/defs.in

@@ -30 +30 @@
         CLEANUP="$CLEANUP; rm -rf $testdir"
         cp -r @srcdir@/$testdir/* $testdir/
-        CLEANUP="rm -f stderr stdout diffstderr diffstdout; cd ..; $CLEANUP"
+        CLEANUP="rm -f stderr stdout diffstderr diffstdout; $CLEANUP"
         CLEANUP="rm -f *.conf*; rm -f NonConvexEnvelope*; rm -f ${testdir}.xyz; rm -f ${testdir}.dbond; $CLEANUP"
 fi
@@ -36 +36 @@
 # debug runs should keep results
 if $DEBUG; then :; else
-        trap "eval \"$CLEANUP\"" 0 1 2 13 15
+        trap 'eval "$CLEANUP"' 0 1 2 13 15
 fi
 
@@ -52 +52 @@
         exitcode=0
         cd $testdir/$RADIUS
-        #echo "Current dir is `pwd`, calling $MOLECUILDER $mol.conf -e $exec_prefix -p ../$mol.xyz -N $RADIUS $FILENAME."
+        echo "Current dir is `pwd`, calling $MOLECUILDER $mol.conf -e $exec_prefix -p ../$mol.xyz -N $RADIUS $FILENAME."
         if [ -e $mol.dbond ]; then
                 $MOLECUILDER -i ../$mol.xyz -A $mol.dbond --select-molecule-by-id 0 -N $RADIUS --nonconvex-file $FILENAME 2>stderr >stdout || exitcode=$?
@@ -58 +58 @@
                 $MOLECUILDER -i ../$mol.xyz --select-molecule-by-id 0 -N $RADIUS --nonconvex-file $FILENAME 2>stderr >stdout || exitcode=$?
         fi
-        #echo "Molecuilder done with exitcode $exitcode."
+        echo "Molecuilder done with exitcode $exitcode."
         cd ../..
-        #cat stderr
-        #cat stdout
-        grep -E "^[0-9]* [0-9]* [0-9]*$" @srcdir@/$mol/$2/${FILENAME}-$mol.dat | sort -n >$testdir/$RADIUS/reference-triangles.dat
-        grep -E "^[0-9]* [0-9]* [0-9]*$" $testdir/$RADIUS/${FILENAME}.dat | sort -n >$testdir/$RADIUS/new-triangles.dat
-        diff $testdir/$RADIUS/reference-triangles.dat $testdir/$RADIUS/new-triangles.dat 2>$testdir/$RADIUS/diffstderr >$testdir/$RADIUS/diffstdout || exitcode=$?
-        #echo "Diff done with exitcode $exitcode."
-        #cat diffstderr
-        #cat diffstdout
-        test $exitcode = $expected_exitcode || exit 1
+        grep -E "^[0-9]* [0-9]* [0-9]*$" @srcdir@/$mol/$2/${FILENAME}-$mol.dat | sort -n >$testdir/$RADIUS/reference-triangles.dat
+        grep -E "^[0-9]* [0-9]* [0-9]*$" $testdir/$RADIUS/${FILENAME}.dat | sort -n >$testdir/$RADIUS/new-triangles.dat
+        diff $testdir/$RADIUS/reference-triangles.dat $testdir/$RADIUS/new-triangles.dat 2>$testdir/$RADIUS/diffstderr >$testdir/$RADIUS/diffstdout || exitcode=$?
+
+        if test $exitcode = $expected_exitcode; then
+                :
+        else
+                CLEANUP=
+                exit 1
+        fi
 }