Changeset 7db9bd for tests/regression/Parser/Pdb

Timestamp:

Oct 5, 2011, 9:16:10 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:

b4e3fe

Parents:

740d40

git-author:

Frederik Heber <heber@…> (10/04/11 11:59:19)

git-committer:

Frederik Heber <heber@…> (10/05/11 09:16:10)

Message:

DISTCHECKFIX: Replaced AUTOTEST_PATH by real path (e.g. tests/regression).

• this corrects VPATH problems with 'make distcheck'.

Location:

tests/regression/Parser/Pdb

Files:

• testsuite-parser-pdb-load.at (modified) (3 diffs)
• testsuite-parser-pdb-multiple-timesteps.at (modified) (3 diffs)
• testsuite-parser-pdb-save.at (modified) (1 diff)
• testsuite-parser-pdb-with-conects.at (modified) (3 diffs)

tests/regression/Parser/Pdb/testsuite-parser-pdb-load.at

@@ -4 +4 @@
 AT_KEYWORDS([parser,load,pdb])
 
-AT_CHECK([../../molecuilder -i test.pdb -o pdb -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/pre/test.pdb], 0, [ignore], [ignore])
-AT_CHECK([file=test.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/post/test.pdb], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilder -i test.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/test.pdb], 0, [ignore], [ignore])
+AT_CHECK([file=test.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/test.pdb], 0, [ignore], [ignore])
 
 AT_CLEANUP
@@ -14 +14 @@
 AT_KEYWORDS([parser,load,pdb,undo])
 
-AT_CHECK([../../molecuilder -i test.pdb -o pdb -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/pre/test.pdb --undo], 0, [ignore], [ignore])
-AT_CHECK([file=test.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/post/empty.pdb], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilder -i test.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/test.pdb --undo], 0, [ignore], [ignore])
+AT_CHECK([file=test.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/empty.pdb], 0, [ignore], [ignore])
 
 AT_CLEANUP
@@ -24 +24 @@
 AT_KEYWORDS([parser,load,pdb,redo])
 
-AT_CHECK([../../molecuilder -i test.pdb -o pdb -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/pre/test.pdb --undo --redo], 0, [ignore], [ignore])
-AT_CHECK([file=test.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/post/test.pdb], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilder -i test.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/test.pdb --undo --redo], 0, [ignore], [ignore])
+AT_CHECK([file=test.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/test.pdb], 0, [ignore], [ignore])
 
 AT_CLEANUP

tests/regression/Parser/Pdb/testsuite-parser-pdb-multiple-timesteps.at

@@ -4 +4 @@
 AT_KEYWORDS([parser,load,pdb,timesteps])
 
-AT_CHECK([../../molecuilder -v 4 -i testmulti.pdb -o pdb -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/pre/testmulti.pdb], 0, [ignore], [ignore])
-AT_CHECK([file=testmulti.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/post/testmulti.pdb], 0, [ignore], [ignore])
-AT_CHECK([../../molecuilder -v 4 -i testmulti2.pdb -o pdb -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/pre/testmulti2.pdb], 0, [ignore], [ignore])
-AT_CHECK([file=testmulti2.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/post/testmulti2.pdb], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilder -v 4 -i testmulti.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/testmulti.pdb], 0, [ignore], [ignore])
+AT_CHECK([file=testmulti.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/testmulti.pdb], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilder -v 4 -i testmulti2.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/testmulti2.pdb], 0, [ignore], [ignore])
+AT_CHECK([file=testmulti2.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/testmulti2.pdb], 0, [ignore], [ignore])
 
 AT_CLEANUP
@@ -16 +16 @@
 AT_KEYWORDS([parser,load,pdb,timesteps,undo])
 
-AT_CHECK([../../molecuilder -v 4 -i testmulti.pdb -o pdb -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/pre/testmulti.pdb --undo], 0, [ignore], [ignore])
-AT_CHECK([file=testmulti.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/post/empty.pdb], 0, [ignore], [ignore])
-AT_CHECK([../../molecuilder -v 4 -i testmulti2.pdb -o pdb -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/pre/testmulti2.pdb --undo], 0, [ignore], [ignore])
-AT_CHECK([file=testmulti2.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/post/empty.pdb], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilder -v 4 -i testmulti.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/testmulti.pdb --undo], 0, [ignore], [ignore])
+AT_CHECK([file=testmulti.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/empty.pdb], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilder -v 4 -i testmulti2.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/testmulti2.pdb --undo], 0, [ignore], [ignore])
+AT_CHECK([file=testmulti2.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/empty.pdb], 0, [ignore], [ignore])
 
 AT_CLEANUP
@@ -28 +28 @@
 AT_KEYWORDS([parser,load,pdb,timesteps,redo])
 
-AT_CHECK([../../molecuilder -v 4 -i testmulti.pdb -o pdb -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/pre/testmulti.pdb --undo --redo], 0, [ignore], [ignore])
-AT_CHECK([file=testmulti.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/post/testmulti.pdb], 0, [ignore], [ignore])
-AT_CHECK([../../molecuilder -v 4 -i testmulti2.pdb -o pdb -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/pre/testmulti2.pdb --undo --redo], 0, [ignore], [ignore])
-AT_CHECK([file=testmulti2.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/post/testmulti2.pdb], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilder -v 4 -i testmulti.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/testmulti.pdb --undo --redo], 0, [ignore], [ignore])
+AT_CHECK([file=testmulti.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/testmulti.pdb], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilder -v 4 -i testmulti2.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/testmulti2.pdb --undo --redo], 0, [ignore], [ignore])
+AT_CHECK([file=testmulti2.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/testmulti2.pdb], 0, [ignore], [ignore])
 
 AT_CLEANUP

tests/regression/Parser/Pdb/testsuite-parser-pdb-save.at

@@ -4 +4 @@
 AT_SETUP([Parser - saving pdb file])
 AT_KEYWORDS([parser,output,pdb])
-AT_CHECK([../../molecuilder -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/pre/test.pdb --output store.pdb], 0, [ignore], [ignore])
-AT_CHECK([diff -I '.*created by molecuilder.*' store.pdb ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/post/test.pdb], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilder -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/test.pdb --output store.pdb], 0, [ignore], [ignore])
+AT_CHECK([diff -I '.*created by molecuilder.*' store.pdb ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/test.pdb], 0, [ignore], [ignore])
 AT_CLEANUP
 

tests/regression/Parser/Pdb/testsuite-parser-pdb-with-conects.at

@@ -4 +4 @@
 AT_KEYWORDS([parser,load,pdb,conect])
 
-AT_CHECK([../../molecuilder -i test_conect.pdb -o pdb -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/pre/test_conect.pdb], 0, [ignore], [ignore])
-AT_CHECK([file=test_conect.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/post/test_conect.pdb], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilder -i test_conect.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/test_conect.pdb], 0, [ignore], [ignore])
+AT_CHECK([file=test_conect.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/test_conect.pdb], 0, [ignore], [ignore])
 
 AT_CLEANUP
@@ -14 +14 @@
 AT_KEYWORDS([parser,load,pdb,conect,undo])
 
-AT_CHECK([../../molecuilder -i test_conect.pdb -o pdb -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/pre/test_conect.pdb --undo], 0, [ignore], [ignore])
-AT_CHECK([file=test_conect.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/post/empty.pdb], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilder -i test_conect.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/test_conect.pdb --undo], 0, [ignore], [ignore])
+AT_CHECK([file=test_conect.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/empty.pdb], 0, [ignore], [ignore])
 
 AT_CLEANUP
@@ -24 +24 @@
 AT_KEYWORDS([parser,load,pdb,conect,redo])
 
-AT_CHECK([../../molecuilder -i test_conect.pdb -o pdb -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/pre/test_conect.pdb --undo --redo], 0, [ignore], [ignore])
-AT_CHECK([file=test_conect.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/post/test_conect.pdb], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilder -i test_conect.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/test_conect.pdb --undo --redo], 0, [ignore], [ignore])
+AT_CHECK([file=test_conect.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/test_conect.pdb], 0, [ignore], [ignore])
 
 AT_CLEANUP