Ignore:
Timestamp:
Oct 5, 2011, 9:16:10 AM (13 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/Molecules
Files:
14 edited

Legend:

Unmodified
Added
Removed
  • tests/regression/Molecules/BondFile/testsuite-molecules-fragmentation-bond-file.at

    r740d40 r7db9bd  
    55
    66file=test.conf
    7 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/BondFile/pre/test.conf $file], 0)
    8 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/BondFile/pre/test.dbond .], 0)
     7AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/BondFile/pre/test.conf $file], 0)
     8AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/BondFile/pre/test.dbond .], 0)
    99AT_CHECK([../../molecuilder -i $file -o pdb -v 4 --select-molecule-by-id 0 -A test.dbond --skiplines 1 --offset 0], 0, [stdout], [stderr])
    10 AT_CHECK([file=test.pdb; diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/BondFile/post/test.pdb], 0, [ignore], [ignore])
     10AT_CHECK([file=test.pdb; diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/BondFile/post/test.pdb], 0, [ignore], [ignore])
    1111
    1212AT_CLEANUP
     
    1818
    1919file=test.conf
    20 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/BondFile/pre/test.conf $file], 0)
    21 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/BondFile/pre/test.dbond .], 0)
     20AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/BondFile/pre/test.conf $file], 0)
     21AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/BondFile/pre/test.dbond .], 0)
    2222AT_CHECK([../../molecuilder -i $file -o pdb -v 4 --select-molecule-by-id 0 -A test.dbond --skiplines 1 --offset 0 --undo], 0, [stdout], [stderr])
    23 AT_CHECK([file=test.pdb; diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/BondFile/post/test.pdb], 0, [ignore], [ignore])
     23AT_CHECK([file=test.pdb; diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/BondFile/post/test.pdb], 0, [ignore], [ignore])
    2424
    2525AT_CLEANUP
     
    3131
    3232file=test.conf
    33 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/BondFile/pre/test.conf $file], 0)
    34 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/BondFile/pre/test.dbond .], 0)
     33AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/BondFile/pre/test.conf $file], 0)
     34AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/BondFile/pre/test.dbond .], 0)
    3535AT_CHECK([../../molecuilder -i $file -o pdb -v 4 --select-molecule-by-id 0 -A test.dbond --skiplines 1 --offset 0 --undo --redo], 0, [stdout], [stderr])
    36 AT_CHECK([file=test.pdb; diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/BondFile/post/test.pdb], 0, [ignore], [ignore])
     36AT_CHECK([file=test.pdb; diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/BondFile/post/test.pdb], 0, [ignore], [ignore])
    3737
    3838AT_CLEANUP
  • tests/regression/Molecules/BondFile/testsuite-molecules-tremolo-dbond-file.at

    r740d40 r7db9bd  
    55
    66file=silica.pov1.0000.pdb
    7 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/BondFile/pre/silica.pov1.0000.pdb $file], 0)
    8 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/BondFile/pre/silica.dbond.0000 .], 0)
     7AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/BondFile/pre/silica.pov1.0000.pdb $file], 0)
     8AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/BondFile/pre/silica.dbond.0000 .], 0)
    99AT_CHECK([chmod u+w $file], 0)
    1010AT_CHECK([../../molecuilder -i $file -v 4 --select-molecule-by-id 0 -A silica.dbond.0000 --skiplines 2 --offset 1], 0, [stdout], [stderr])
     
    2020
    2121file=silica.pov1.0000.pdb
    22 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/BondFile/pre/silica.pov1.0000.pdb $file], 0)
    23 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/BondFile/pre/silica.dbond.0000 .], 0)
     22AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/BondFile/pre/silica.pov1.0000.pdb $file], 0)
     23AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/BondFile/pre/silica.dbond.0000 .], 0)
    2424AT_CHECK([chmod u+w $file], 0)
    2525AT_CHECK([../../molecuilder -i $file -v 4 --select-molecule-by-id 0 -A silica.dbond.0000 --skiplines 2 --offset 1 --undo], 0, [stdout], [stderr])
     
    3535
    3636file=silica.pov1.0000.pdb
    37 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/BondFile/pre/silica.pov1.0000.pdb $file], 0)
    38 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/BondFile/pre/silica.dbond.0000 .], 0)
     37AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/BondFile/pre/silica.pov1.0000.pdb $file], 0)
     38AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/BondFile/pre/silica.dbond.0000 .], 0)
    3939AT_CHECK([chmod u+w $file], 0)
    4040AT_CHECK([../../molecuilder -i $file -v 4 --select-molecule-by-id 0 -A silica.dbond.0000 --skiplines 2 --offset 1 --undo --redo], 0, [stdout], [stderr])
  • tests/regression/Molecules/Copy/testsuite-molecules-copy-molecule.at

    r740d40 r7db9bd  
    55
    66file=test-copy.xyz
    7 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/pre/test.xyz $file], 0)
     7AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/test.xyz $file], 0)
    88AT_CHECK([chmod u+w $file], 0)
    99AT_CHECK([../../molecuilder -i $file  --copy-molecule 0 --position "0,0,10"], 0, [stdout], [stderr])
    10 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/post/test-copy.xyz], 0, [ignore], [ignore])
     10AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/post/test-copy.xyz], 0, [ignore], [ignore])
    1111
    1212file=tensid.data
    13 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/pre/tensid.data $file], 0)
    14 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/pre/tensid.potentials .], 0)
     13AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.data $file], 0)
     14AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.potentials .], 0)
    1515AT_CHECK([chmod u+w $file], 0)
    1616AT_CHECK([../../molecuilder --parse-tremolo-potentials tensid.potentials -i $file --copy-molecule 0 --position "0,0,10"], 0, [stdout], [stderr])
    17 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/post/tensid.data], 0, [ignore], [ignore])
     17AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/post/tensid.data], 0, [ignore], [ignore])
    1818
    1919AT_CLEANUP
     
    2424
    2525file=test-copy.xyz
    26 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/pre/test.xyz $file], 0)
     26AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/test.xyz $file], 0)
    2727AT_CHECK([chmod u+w $file], 0)
    2828AT_CHECK([../../molecuilder -i $file  --copy-molecule 0 --position "0,0,10" --undo], 0, [stdout], [stderr])
    29 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/post/test-undo.xyz], 0, [ignore], [ignore])
     29AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/post/test-undo.xyz], 0, [ignore], [ignore])
    3030
    3131file=tensid.data
    32 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/pre/tensid.data $file], 0)
    33 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/pre/tensid.potentials .], 0)
     32AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.data $file], 0)
     33AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.potentials .], 0)
    3434AT_CHECK([chmod u+w $file], 0)
    3535AT_CHECK([../../molecuilder --parse-tremolo-potentials tensid.potentials -i $file --copy-molecule 0 --position "0,0,10" --undo], 0, [stdout], [stderr])
    36 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/post/tensid-undo.data], 0, [ignore], [ignore])
     36AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/post/tensid-undo.data], 0, [ignore], [ignore])
    3737
    3838AT_CLEANUP
     
    4343
    4444file=test-copy.xyz
    45 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/pre/test.xyz $file], 0)
     45AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/test.xyz $file], 0)
    4646AT_CHECK([chmod u+w $file], 0)
    4747AT_CHECK([../../molecuilder -i $file  --copy-molecule 0 --position "0,0,10" --undo --redo], 0, [stdout], [stderr])
    48 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/post/test-copy.xyz], 0, [ignore], [ignore])
     48AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/post/test-copy.xyz], 0, [ignore], [ignore])
    4949
    5050file=tensid.data
    51 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/pre/tensid.data $file], 0)
    52 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/pre/tensid.potentials .], 0)
     51AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.data $file], 0)
     52AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.potentials .], 0)
    5353AT_CHECK([chmod u+w $file], 0)
    5454AT_CHECK([../../molecuilder --parse-tremolo-potentials tensid.potentials -i $file --copy-molecule 0 --position "0,0,10" --undo --redo], 0, [stdout], [stderr])
    55 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/post/tensid.data], 0, [ignore], [ignore])
     55AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/post/tensid.data], 0, [ignore], [ignore])
    5656
    5757AT_CLEANUP
  • tests/regression/Molecules/LinearInterpolationofTrajectories/testsuite-molecules-linear-interpolation-of-trajectories.at

    r740d40 r7db9bd  
    55
    66file=test.conf
    7 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/LinearInterpolationofTrajectories/pre/test.conf $file], 0)
     7AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/LinearInterpolationofTrajectories/pre/test.conf $file], 0)
    88AT_CHECK([../../molecuilder -i $file  --select-all-atoms --linear-interpolation-of-trajectories --start-step 0 --interpolation-steps 9 --end-step 1 --id-mapping 1 -S teststep.conf], 0, [stdout], [stderr])
    99AT_CHECK([fgrep -c 'Ion_Type1_1' teststep.conf], 0, [10
    1010], [ignore])
    11 AT_CHECK([diff teststep.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/LinearInterpolationofTrajectories/post/teststep.conf], 0, [ignore], [ignore])
     11AT_CHECK([diff teststep.conf ${abs_top_srcdir}/tests/regression/Molecules/LinearInterpolationofTrajectories/post/teststep.conf], 0, [ignore], [ignore])
    1212
    1313AT_CLEANUP
  • tests/regression/Molecules/RotateAroundOrigin/testsuite-molecules-rotate-around-origin.at

    r740d40 r7db9bd  
    55
    66file=test.xyz
    7 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
     7AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
    88AT_CHECK([chmod u+w $file], 0)
    99AT_CHECK([../../molecuilder -i $file  --select-all-atoms --rotate-around-origin 90. --position "0,0,1"], 0, [stdout], [stderr])
    10 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/post/test-rotated-z90.xyz], 0, [ignore], [ignore])
     10AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/post/test-rotated-z90.xyz], 0, [ignore], [ignore])
    1111
    1212file=test.xyz
    13 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
     13AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
    1414AT_CHECK([chmod u+w $file], 0)
    1515AT_CHECK([../../molecuilder -i $file  --select-all-atoms --rotate-around-origin 180. --position "0,0,1"], 0, [stdout], [stderr])
    16 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/post/test-rotated-z180.xyz], 0, [ignore], [ignore])
     16AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/post/test-rotated-z180.xyz], 0, [ignore], [ignore])
    1717
    1818file=test.xyz
    19 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
     19AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
    2020AT_CHECK([chmod u+w $file], 0)
    2121AT_CHECK([../../molecuilder -i $file  --select-all-atoms --rotate-around-origin 360. --position "0,0,1"], 0, [stdout], [stderr])
    22 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/post/test-rotated-z360.xyz], 0, [ignore], [ignore])
    23 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz], 0, [ignore], [ignore])
     22AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/post/test-rotated-z360.xyz], 0, [ignore], [ignore])
     23AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/pre/test.xyz], 0, [ignore], [ignore])
    2424
    2525file=test.xyz
    26 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
     26AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
    2727AT_CHECK([chmod u+w $file], 0)
    2828AT_CHECK([../../molecuilder -i $file  --select-all-atoms --rotate-around-origin 20. --position "1,2,1"], 0, [stdout], [stderr])
    29 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/post/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
     29AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/post/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
    3030
    3131AT_CLEANUP
     
    3636
    3737file=test.xyz
    38 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
     38AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
    3939AT_CHECK([chmod u+w $file], 0)
    4040AT_CHECK([../../molecuilder -i $file  --select-all-atoms --rotate-around-origin 90. --position "0,0,1" --undo], 0, [stdout], [stderr])
    41 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz], 0, [ignore], [ignore])
     41AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/pre/test.xyz], 0, [ignore], [ignore])
    4242
    4343file=test.xyz
    44 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
     44AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
    4545AT_CHECK([chmod u+w $file], 0)
    4646AT_CHECK([../../molecuilder -i $file  --select-all-atoms --rotate-around-origin 180. --position "0,0,1" --undo], 0, [stdout], [stderr])
    47 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz], 0, [ignore], [ignore])
     47AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/pre/test.xyz], 0, [ignore], [ignore])
    4848
    4949file=test.xyz
    50 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
     50AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
    5151AT_CHECK([chmod u+w $file], 0)
    5252AT_CHECK([../../molecuilder -i $file  --select-all-atoms --rotate-around-origin 360. --position "0,0,1" --undo], 0, [stdout], [stderr])
    53 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz], 0, [ignore], [ignore])
     53AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/pre/test.xyz], 0, [ignore], [ignore])
    5454
    5555file=test.xyz
    56 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
     56AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
    5757AT_CHECK([chmod u+w $file], 0)
    5858AT_CHECK([../../molecuilder -i $file  --select-all-atoms --rotate-around-origin 20. --position "1,2,1" --undo], 0, [stdout], [stderr])
    59 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz], 0, [ignore], [ignore])
     59AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/pre/test.xyz], 0, [ignore], [ignore])
    6060
    6161AT_CLEANUP
     
    6666
    6767file=test.xyz
    68 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
     68AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
    6969AT_CHECK([chmod u+w $file], 0)
    7070AT_CHECK([../../molecuilder -i $file  --select-all-atoms --rotate-around-origin 90. --position "0,0,1" --undo --redo], 0, [stdout], [stderr])
    71 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/post/test-rotated-z90.xyz], 0, [ignore], [ignore])
     71AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/post/test-rotated-z90.xyz], 0, [ignore], [ignore])
    7272
    7373file=test.xyz
    74 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
     74AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
    7575AT_CHECK([chmod u+w $file], 0)
    7676AT_CHECK([../../molecuilder -i $file  --select-all-atoms --rotate-around-origin 180. --position "0,0,1" --undo --redo], 0, [stdout], [stderr])
    77 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/post/test-rotated-z180.xyz], 0, [ignore], [ignore])
     77AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/post/test-rotated-z180.xyz], 0, [ignore], [ignore])
    7878
    7979file=test.xyz
    80 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
     80AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
    8181AT_CHECK([chmod u+w $file], 0)
    8282AT_CHECK([../../molecuilder -i $file  --select-all-atoms --rotate-around-origin 360. --position "0,0,1" --undo --redo], 0, [stdout], [stderr])
    83 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/post/test-rotated-z360.xyz], 0, [ignore], [ignore])
    84 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz], 0, [ignore], [ignore])
     83AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/post/test-rotated-z360.xyz], 0, [ignore], [ignore])
     84AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/pre/test.xyz], 0, [ignore], [ignore])
    8585
    8686file=test.xyz
    87 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
     87AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/pre/test.xyz $file], 0)
    8888AT_CHECK([chmod u+w $file], 0)
    8989AT_CHECK([../../molecuilder -i $file  --select-all-atoms --rotate-around-origin 20. --position "1,2,1" --undo --redo], 0, [stdout], [stderr])
    90 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/post/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
     90AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundOrigin/post/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
    9191
    9292AT_CLEANUP
  • tests/regression/Molecules/RotateAroundSelf/testsuite-molecules-rotate-around-self.at

    r740d40 r7db9bd  
    55
    66file=test.xyz
    7 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
     7AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
    88AT_CHECK([chmod u+w $file], 0)
    99AT_CHECK([../../molecuilder -i $file  --select-all-molecules --rotate-around-self 90. --axis "0,0,1"], 0, [stdout], [stderr])
    10 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/post/test-rotated-z90.xyz], 0, [ignore], [ignore])
     10AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/post/test-rotated-z90.xyz], 0, [ignore], [ignore])
    1111
    1212file=test.xyz
    13 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
     13AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
    1414AT_CHECK([chmod u+w $file], 0)
    1515AT_CHECK([../../molecuilder -i $file  --select-all-molecules --rotate-around-self 180. --axis "0,0,1"], 0, [stdout], [stderr])
    16 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/post/test-rotated-z180.xyz], 0, [ignore], [ignore])
     16AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/post/test-rotated-z180.xyz], 0, [ignore], [ignore])
    1717
    1818file=test.xyz
    19 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
     19AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
    2020AT_CHECK([chmod u+w $file], 0)
    2121AT_CHECK([../../molecuilder -i $file  --select-all-molecules --rotate-around-self 360. --axis "0,0,1"], 0, [stdout], [stderr])
    22 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/post/test-rotated-z360.xyz], 0, [ignore], [ignore])
    23 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz], 0, [ignore], [ignore])
     22AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/post/test-rotated-z360.xyz], 0, [ignore], [ignore])
     23AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz], 0, [ignore], [ignore])
    2424
    2525file=test.xyz
    26 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
     26AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
    2727AT_CHECK([chmod u+w $file], 0)
    2828AT_CHECK([../../molecuilder -i $file  --select-all-molecules --rotate-around-self 20. --axis "1,2,1"], 0, [stdout], [stderr])
    29 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/post/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
     29AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/post/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
    3030
    3131AT_CLEANUP
     
    3636
    3737file=test.xyz
    38 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
     38AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
    3939AT_CHECK([chmod u+w $file], 0)
    4040AT_CHECK([../../molecuilder -i $file  --select-all-molecules --rotate-around-self 90. --axis "0,0,1" --undo], 0, [stdout], [stderr])
    41 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz], 0, [ignore], [ignore])
     41AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz], 0, [ignore], [ignore])
    4242
    4343file=test.xyz
    44 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
     44AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
    4545AT_CHECK([chmod u+w $file], 0)
    4646AT_CHECK([../../molecuilder -i $file  --select-all-molecules --rotate-around-self 180. --axis "0,0,1" --undo], 0, [stdout], [stderr])
    47 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz], 0, [ignore], [ignore])
     47AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz], 0, [ignore], [ignore])
    4848
    4949file=test.xyz
    50 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
     50AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
    5151AT_CHECK([chmod u+w $file], 0)
    5252AT_CHECK([../../molecuilder -i $file  --select-all-molecules --rotate-around-self 360. --axis "0,0,1" --undo], 0, [stdout], [stderr])
    53 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz], 0, [ignore], [ignore])
     53AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz], 0, [ignore], [ignore])
    5454
    5555file=test.xyz
    56 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
     56AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
    5757AT_CHECK([chmod u+w $file], 0)
    5858AT_CHECK([../../molecuilder -i $file  --select-all-molecules --rotate-around-self 20. --axis "1,2,1" --undo], 0, [stdout], [stderr])
    59 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz], 0, [ignore], [ignore])
     59AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz], 0, [ignore], [ignore])
    6060
    6161AT_CLEANUP
     
    6666
    6767file=test.xyz
    68 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
     68AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
    6969AT_CHECK([chmod u+w $file], 0)
    7070AT_CHECK([../../molecuilder -i $file  --select-all-molecules --rotate-around-self 90. --axis "0,0,1" --undo --redo], 0, [stdout], [stderr])
    71 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/post/test-rotated-z90.xyz], 0, [ignore], [ignore])
     71AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/post/test-rotated-z90.xyz], 0, [ignore], [ignore])
    7272
    7373file=test.xyz
    74 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
     74AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
    7575AT_CHECK([chmod u+w $file], 0)
    7676AT_CHECK([../../molecuilder -i $file  --select-all-molecules --rotate-around-self 180. --axis "0,0,1" --undo --redo], 0, [stdout], [stderr])
    77 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/post/test-rotated-z180.xyz], 0, [ignore], [ignore])
     77AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/post/test-rotated-z180.xyz], 0, [ignore], [ignore])
    7878
    7979file=test.xyz
    80 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
     80AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
    8181AT_CHECK([chmod u+w $file], 0)
    8282AT_CHECK([../../molecuilder -i $file  --select-all-molecules --rotate-around-self 360. --axis "0,0,1" --undo --redo], 0, [stdout], [stderr])
    83 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/post/test-rotated-z360.xyz], 0, [ignore], [ignore])
    84 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz], 0, [ignore], [ignore])
     83AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/post/test-rotated-z360.xyz], 0, [ignore], [ignore])
     84AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz], 0, [ignore], [ignore])
    8585
    8686file=test.xyz
    87 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
     87AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
    8888AT_CHECK([chmod u+w $file], 0)
    8989AT_CHECK([../../molecuilder -i $file  --select-all-molecules --rotate-around-self 20. --axis "1,2,1" --undo --redo], 0, [stdout], [stderr])
    90 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/post/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
     90AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/post/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
    9191
    9292AT_CLEANUP
  • tests/regression/Molecules/RotateToPrincipalAxisSystem/testsuite-molecules-rotate-to-principal-axis-system.at

    r740d40 r7db9bd  
    55
    66file=test-rotated-z90.xyz
    7 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z90.xyz $file], 0)
     7AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z90.xyz $file], 0)
    88AT_CHECK([chmod u+w $file], 0)
    99AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -m "0,0,1"], 0, [stdout], [stderr])
    10 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z90.xyz], 0, [ignore], [ignore])
     10AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z90.xyz], 0, [ignore], [ignore])
    1111
    1212file=test-rotated-z180.xyz
    13 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z180.xyz $file], 0)
     13AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z180.xyz $file], 0)
    1414AT_CHECK([chmod u+w $file], 0)
    1515AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -m "0,0,1"], 0, [stdout], [stderr])
    16 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z180.xyz], 0, [ignore], [ignore])
     16AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z180.xyz], 0, [ignore], [ignore])
    1717
    1818file=test-rotated-z360.xyz
    19 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z360.xyz $file], 0)
     19AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z360.xyz $file], 0)
    2020AT_CHECK([chmod u+w $file], 0)
    2121AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -m "0,0,1"], 0, [stdout], [stderr])
    22 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z360.xyz], 0, [ignore], [ignore])
     22AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z360.xyz], 0, [ignore], [ignore])
    2323
    2424file=test-rotated-xYz20.xyz
    25 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-xYz20.xyz $file], 0)
     25AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-xYz20.xyz $file], 0)
    2626AT_CHECK([chmod u+w $file], 0)
    2727AT_CHECK([../../molecuilder -i $file  --select-molecule-by-id 0 -m "0,0,1"], 0, [stdout], [stderr])
    28 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
     28AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
    2929
    3030AT_CLEANUP
     
    3636
    3737file=test-rotated-z90.xyz
    38 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z90.xyz $file], 0)
     38AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z90.xyz $file], 0)
    3939AT_CHECK([chmod u+w $file], 0)
    4040AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -m "0,0,1" --undo], 0, [stdout], [stderr])
    41 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z90.xyz], 0, [ignore], [ignore])
     41AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z90.xyz], 0, [ignore], [ignore])
    4242
    4343file=test-rotated-z180.xyz
    44 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z180.xyz $file], 0)
     44AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z180.xyz $file], 0)
    4545AT_CHECK([chmod u+w $file], 0)
    4646AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -m "0,0,1" --undo], 0, [stdout], [stderr])
    47 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z180.xyz], 0, [ignore], [ignore])
     47AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z180.xyz], 0, [ignore], [ignore])
    4848
    4949file=test-rotated-z360.xyz
    50 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z360.xyz $file], 0)
     50AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z360.xyz $file], 0)
    5151AT_CHECK([chmod u+w $file], 0)
    5252AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -m "0,0,1" --undo], 0, [stdout], [stderr])
    53 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z360.xyz], 0, [ignore], [ignore])
     53AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z360.xyz], 0, [ignore], [ignore])
    5454
    5555file=test-rotated-xYz20.xyz
    56 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-xYz20.xyz $file], 0)
     56AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-xYz20.xyz $file], 0)
    5757AT_CHECK([chmod u+w $file], 0)
    5858AT_CHECK([../../molecuilder -i $file  --select-molecule-by-id 0 -m "0,0,1" --undo], 0, [stdout], [stderr])
    59 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
     59AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
    6060
    6161AT_CLEANUP
     
    6767
    6868file=test-rotated-z90.xyz
    69 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z90.xyz $file], 0)
     69AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z90.xyz $file], 0)
    7070AT_CHECK([chmod u+w $file], 0)
    7171AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -m "0,0,1" --undo --redo], 0, [stdout], [stderr])
    72 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z90.xyz], 0, [ignore], [ignore])
     72AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z90.xyz], 0, [ignore], [ignore])
    7373
    7474file=test-rotated-z180.xyz
    75 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z180.xyz $file], 0)
     75AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z180.xyz $file], 0)
    7676AT_CHECK([chmod u+w $file], 0)
    7777AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -m "0,0,1" --undo --redo], 0, [stdout], [stderr])
    78 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z180.xyz], 0, [ignore], [ignore])
     78AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z180.xyz], 0, [ignore], [ignore])
    7979
    8080file=test-rotated-z360.xyz
    81 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z360.xyz $file], 0)
     81AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-z360.xyz $file], 0)
    8282AT_CHECK([chmod u+w $file], 0)
    8383AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -m "0,0,1" --undo --redo], 0, [stdout], [stderr])
    84 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z360.xyz], 0, [ignore], [ignore])
     84AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-z360.xyz], 0, [ignore], [ignore])
    8585
    8686file=test-rotated-xYz20.xyz
    87 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-xYz20.xyz $file], 0)
     87AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/pre/test-rotated-xYz20.xyz $file], 0)
    8888AT_CHECK([chmod u+w $file], 0)
    8989AT_CHECK([../../molecuilder -i $file  --select-molecule-by-id 0 -m "0,0,1" --undo --redo], 0, [stdout], [stderr])
    90 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
     90AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateToPrincipalAxisSystem/post/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
    9191
    9292AT_CLEANUP
  • tests/regression/Molecules/SaveAdjacency/testsuite-molecules-save-adjacency.at

    r740d40 r7db9bd  
    55
    66file=test.conf
    7 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/SaveAdjacency/pre/test.conf $file], 0)
     7AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/SaveAdjacency/pre/test.conf $file], 0)
    88AT_CHECK([../../molecuilder -i $file  -v 1 --select-all-atoms --create-adjacency --select-molecule-by-id 0 -J test.adj], 0, [stdout], [stderr])
    9 AT_CHECK([file=test.adj; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/SaveAdjacency/post/test.adj], 0, [ignore], [ignore])
     9AT_CHECK([file=test.adj; diff $file ${abs_top_srcdir}/tests/regression/Molecules/SaveAdjacency/post/test.adj], 0, [ignore], [ignore])
    1010
    1111AT_CLEANUP
  • tests/regression/Molecules/SaveBonds/testsuite-molecules-save-bonds.at

    r740d40 r7db9bd  
    55
    66file=test.conf
    7 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/SaveBonds/pre/test.conf $file], 0)
     7AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/SaveBonds/pre/test.conf $file], 0)
    88AT_CHECK([../../molecuilder -i $file  -v 1 --select-all-atoms --create-adjacency --select-molecule-by-id 0 -j test.dbond], 0, [stdout], [stderr])
    9 AT_CHECK([file=test.dbond; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/SaveBonds/post/test.dbond], 0, [ignore], [ignore])
     9AT_CHECK([file=test.dbond; diff $file ${abs_top_srcdir}/tests/regression/Molecules/SaveBonds/post/test.dbond], 0, [ignore], [ignore])
    1010
    1111AT_CLEANUP
  • tests/regression/Molecules/SaveSelectedMolecules/testsuite-molecules-save-selected-molecules.at

    r740d40 r7db9bd  
    55
    66file=test.xyz
    7 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/SaveSelectedMolecules/pre/test.xyz $file], 0)
     7AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/SaveSelectedMolecules/pre/test.xyz $file], 0)
    88AT_CHECK([../../molecuilder -i $file -I --select-molecule-by-order 1 -s testsave.xyz], 0, [stdout], [stderr])
    9 AT_CHECK([file=testsave.xyz; diff -I '.*Created by.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/SaveSelectedMolecules/post/testsave.xyz], 0, [ignore], [ignore])
     9AT_CHECK([file=testsave.xyz; diff -I '.*Created by.*' $file ${abs_top_srcdir}/tests/regression/Molecules/SaveSelectedMolecules/post/testsave.xyz], 0, [ignore], [ignore])
    1010
    1111AT_CLEANUP
  • tests/regression/Molecules/SaveTemperature/testsuite-molecules-save-temperature.at

    r740d40 r7db9bd  
    55
    66file=test.conf
    7 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/SaveTemperature/pre/test.conf $file], 0)
     7AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/SaveTemperature/pre/test.conf $file], 0)
    88AT_CHECK([../../molecuilder -i $file  --select-all-atoms --save-temperature test.ekin], 0, [stdout], [stderr])
    9 AT_CHECK([file=test.ekin; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/SaveTemperature/post/test.ekin], 0, [ignore], [ignore])
     9AT_CHECK([file=test.ekin; diff $file ${abs_top_srcdir}/tests/regression/Molecules/SaveTemperature/post/test.ekin], 0, [ignore], [ignore])
    1010
    1111AT_CLEANUP
  • tests/regression/Molecules/Translation-Periodic/testsuite-molecules-translation-periodic.at

    r740d40 r7db9bd  
    55
    66file=test.conf
    7 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Translation-Periodic/pre/test.conf $file], 0)
     7AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Translation-Periodic/pre/test.conf $file], 0)
    88AT_CHECK([chmod u+w $file], 0)
    99AT_CHECK([../../molecuilder -i $file  --select-molecule-by-id 0 --select-molecules-atoms -t "-8., -8., -8." --periodic 1], 0, [stdout], [stderr])
    10 AT_CHECK([diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Translation-Periodic/post/test.conf], 0, [ignore], [ignore])
     10AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Molecules/Translation-Periodic/post/test.conf], 0, [ignore], [ignore])
    1111
    1212AT_CLEANUP
     
    1717
    1818file=test.conf
    19 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Translation-Periodic/pre/test.conf $file], 0)
     19AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Translation-Periodic/pre/test.conf $file], 0)
    2020AT_CHECK([chmod u+w $file], 0)
    2121AT_CHECK([../../molecuilder -i $file  --select-molecule-by-id 0 --select-molecules-atoms -t "-8., -8., -8." --periodic 1 --undo], 0, [stdout], [stderr])
    22 AT_CHECK([diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Translation-Periodic/post/test-undo.conf], 0, [ignore], [ignore])
     22AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Molecules/Translation-Periodic/post/test-undo.conf], 0, [ignore], [ignore])
    2323
    2424AT_CLEANUP
     
    2929
    3030file=test.conf
    31 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Translation-Periodic/pre/test.conf $file], 0)
     31AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Translation-Periodic/pre/test.conf $file], 0)
    3232AT_CHECK([chmod u+w $file], 0)
    3333AT_CHECK([../../molecuilder -i $file  --select-molecule-by-id 0 --select-molecules-atoms -t "-8., -8., -8." --periodic 1 --undo --redo], 0, [stdout], [stderr])
    34 AT_CHECK([diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Translation-Periodic/post/test.conf], 0, [ignore], [ignore])
     34AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Molecules/Translation-Periodic/post/test.conf], 0, [ignore], [ignore])
    3535
    3636AT_CLEANUP
  • tests/regression/Molecules/Translation/testsuite-molecules-translation.at

    r740d40 r7db9bd  
    55
    66file=test.conf
    7 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Translation/pre/test.conf $file], 0)
     7AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Translation/pre/test.conf $file], 0)
    88AT_CHECK([chmod u+w $file], 0)
    99AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 --select-molecules-atoms -t "1., 1., 1." --periodic 0], 0, [stdout], [stderr])
    10 AT_CHECK([diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Translation/post/test.conf], 0, [ignore], [ignore])
     10AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Molecules/Translation/post/test.conf], 0, [ignore], [ignore])
    1111
    1212file=test2.conf
    13 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Translation/pre/test2.conf $file], 0)
     13AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Translation/pre/test2.conf $file], 0)
    1414AT_CHECK([chmod u+w $file], 0)
    1515AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 --select-molecules-atoms -t "-1., -1., -1." --periodic 0], 0, [stdout], [stderr])
    16 AT_CHECK([diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Translation/post/test2.conf], 0, [ignore], [ignore])
     16AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Molecules/Translation/post/test2.conf], 0, [ignore], [ignore])
    1717
    1818AT_CLEANUP
     
    2323
    2424file=test.conf
    25 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Translation/pre/test.conf $file], 0)
     25AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Translation/pre/test.conf $file], 0)
    2626AT_CHECK([chmod u+w $file], 0)
    2727AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 --select-molecules-atoms -t "1., 1., 1." --periodic 0 --undo], 0, [stdout], [stderr])
    28 AT_CHECK([diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Translation/post/test-undo.conf], 0, [ignore], [ignore])
     28AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Molecules/Translation/post/test-undo.conf], 0, [ignore], [ignore])
    2929
    3030file=test2.conf
    31 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Translation/pre/test2.conf $file], 0)
     31AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Translation/pre/test2.conf $file], 0)
    3232AT_CHECK([chmod u+w $file], 0)
    3333AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 --select-molecules-atoms -t "-1., -1., -1." --periodic 0 --undo], 0, [stdout], [stderr])
    34 AT_CHECK([diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Translation/post/test2-undo.conf], 0, [ignore], [ignore])
     34AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Molecules/Translation/post/test2-undo.conf], 0, [ignore], [ignore])
    3535
    3636AT_CLEANUP
     
    4141
    4242file=test.conf
    43 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Translation/pre/test.conf $file], 0)
     43AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Translation/pre/test.conf $file], 0)
    4444AT_CHECK([chmod u+w $file], 0)
    4545AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 --select-molecules-atoms -t "1., 1., 1." --periodic 0 --undo --redo], 0, [stdout], [stderr])
    46 AT_CHECK([diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Translation/post/test.conf], 0, [ignore], [ignore])
     46AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Molecules/Translation/post/test.conf], 0, [ignore], [ignore])
    4747
    4848file=test2.conf
    49 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Translation/pre/test2.conf $file], 0)
     49AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Translation/pre/test2.conf $file], 0)
    5050AT_CHECK([chmod u+w $file], 0)
    5151AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 --select-molecules-atoms -t "-1., -1., -1." --periodic 0 --undo --redo], 0, [stdout], [stderr])
    52 AT_CHECK([diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Translation/post/test2.conf], 0, [ignore], [ignore])
     52AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Molecules/Translation/post/test2.conf], 0, [ignore], [ignore])
    5353
    5454AT_CLEANUP
  • tests/regression/Molecules/VerletIntegration/testsuite-molecules-verlet-integration.at

    r740d40 r7db9bd  
    55
    66file=test.conf
    7 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/VerletIntegration/pre/test.conf $file], 0)
    8 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/VerletIntegration/pre/test.forces .], 0)
     7AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/VerletIntegration/pre/test.conf $file], 0)
     8AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/VerletIntegration/pre/test.forces .], 0)
    99AT_CHECK([chmod u+w $file], 0)
    1010AT_CHECK([../../molecuilder -i $file  --select-all-atoms -P test.forces --MDSteps 1 --deltat 0.01 --keep-fixed-CenterOfMass 0], 0, [stdout], [stderr])
    11 AT_CHECK([diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/VerletIntegration/post/test.conf], 0, [ignore], [ignore])
     11AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Molecules/VerletIntegration/post/test.conf], 0, [ignore], [ignore])
    1212
    1313AT_CLEANUP
     
    1919
    2020file=test.conf
    21 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/VerletIntegration/pre/test.conf $file], 0)
    22 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/VerletIntegration/pre/test.forces .], 0)
     21AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/VerletIntegration/pre/test.conf $file], 0)
     22AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/VerletIntegration/pre/test.forces .], 0)
    2323AT_CHECK([chmod u+w $file], 0)
    2424AT_CHECK([../../molecuilder -i $file  --select-all-atoms -P test.forces --MDSteps 1 --deltat 0.01 --keep-fixed-CenterOfMass 0 --undo], 0, [stdout], [stderr])
    25 AT_CHECK([diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/VerletIntegration/post/test.conf], 0, [ignore], [ignore])
     25AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Molecules/VerletIntegration/post/test.conf], 0, [ignore], [ignore])
    2626
    2727AT_CLEANUP
     
    3333
    3434file=test.conf
    35 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/VerletIntegration/pre/test.conf $file], 0)
    36 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/VerletIntegration/pre/test.forces .], 0)
     35AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/VerletIntegration/pre/test.conf $file], 0)
     36AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/VerletIntegration/pre/test.forces .], 0)
    3737AT_CHECK([chmod u+w $file], 0)
    3838AT_CHECK([../../molecuilder -i $file  --select-all-atoms -P test.forces --MDSteps 1 --deltat 0.01 --keep-fixed-CenterOfMass 0 --undo --redo], 0, [stdout], [stderr])
    39 AT_CHECK([diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/VerletIntegration/post/test.conf], 0, [ignore], [ignore])
     39AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Molecules/VerletIntegration/post/test.conf], 0, [ignore], [ignore])
    4040
    4141AT_CLEANUP
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