Changeset 7db9bd for tests/regression/Selection/Molecules
- Timestamp:
- Oct 5, 2011, 9:16:10 AM (14 years ago)
- 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)
- Location:
- tests/regression/Selection/Molecules
- Files:
-
- 15 edited
-
AllMolecules/testsuite-selection-select-all-molecules.at (modified) (3 diffs)
-
AllMolecules/testsuite-selection-unselect-all-molecules.at (modified) (3 diffs)
-
ClearMolecules/testsuite-selection-clear-molecules.at (modified) (3 diffs)
-
MoleculeByFormula/testsuite-selection-select-molecules-by-formula.at (modified) (9 diffs)
-
MoleculeByFormula/testsuite-selection-unselect-molecules-by-formula.at (modified) (9 diffs)
-
MoleculeById/testsuite-selection-select-molecule-by-id.at (modified) (3 diffs)
-
MoleculeById/testsuite-selection-unselect-molecule-by-id.at (modified) (3 diffs)
-
MoleculeByName/testsuite-selection-select-molecules-by-name.at (modified) (3 diffs)
-
MoleculeByName/testsuite-selection-unselect-molecules-by-name.at (modified) (3 diffs)
-
MoleculeByOrder/testsuite-selection-select-molecule-by-order-backward.at (modified) (6 diffs)
-
MoleculeByOrder/testsuite-selection-select-molecule-by-order-forward.at (modified) (6 diffs)
-
MoleculeByOrder/testsuite-selection-unselect-molecule-by-order-backward.at (modified) (6 diffs)
-
MoleculeByOrder/testsuite-selection-unselect-molecule-by-order-forward.at (modified) (6 diffs)
-
MoleculeOfAtom/testsuite-selection-select-atoms-molecules.at (modified) (3 diffs)
-
MoleculeOfAtom/testsuite-selection-unselect-atoms-molecules.at (modified) (3 diffs)
Legend:
- Unmodified
- Added
- Removed
-
tests/regression/Selection/Molecules/AllMolecules/testsuite-selection-select-all-molecules.at
r740d40 r7db9bd 5 5 AT_KEYWORDS([selection,molecule,select-all-molecules]) 6 6 7 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/AllMolecules"7 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/AllMolecules" 8 8 srcfile=box.xyz 9 9 testfile=test.xyz … … 19 19 AT_KEYWORDS([selection,molecule,select-all-molecules,undo]) 20 20 21 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/AllMolecules"21 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/AllMolecules" 22 22 srcfile=box.xyz 23 23 testfile=test.xyz … … 33 33 AT_KEYWORDS([selection,molecule,select-all-molecules,redo]) 34 34 35 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/AllMolecules"35 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/AllMolecules" 36 36 srcfile=box.xyz 37 37 testfile=test.xyz -
tests/regression/Selection/Molecules/AllMolecules/testsuite-selection-unselect-all-molecules.at
r740d40 r7db9bd 5 5 AT_KEYWORDS([unselection,molecule,unselect-all-molecules]) 6 6 7 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/AllMolecules"7 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/AllMolecules" 8 8 srcfile=box.xyz 9 9 testfile=test.xyz … … 19 19 AT_KEYWORDS([unselection,molecule,unselect-all-molecules,undo]) 20 20 21 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/AllMolecules"21 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/AllMolecules" 22 22 srcfile=box.xyz 23 23 testfile=test.xyz … … 33 33 AT_KEYWORDS([unselection,molecule,unselect-all-molecules,redo]) 34 34 35 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/AllMolecules"35 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/AllMolecules" 36 36 srcfile=box.xyz 37 37 testfile=test.xyz -
tests/regression/Selection/Molecules/ClearMolecules/testsuite-selection-clear-molecules.at
r740d40 r7db9bd 5 5 AT_KEYWORDS([selection,molecule,clear-molecule-selection]) 6 6 7 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/ClearMolecules"7 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/ClearMolecules" 8 8 srcfile=box.xyz 9 9 testfile=test.xyz … … 19 19 AT_KEYWORDS([selection,molecule,clear-molecule-selection,undo]) 20 20 21 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/ClearMolecules"21 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/ClearMolecules" 22 22 srcfile=box.xyz 23 23 testfile=test.xyz … … 33 33 AT_KEYWORDS([selection,molecule,clear-molecule-selection,redo]) 34 34 35 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/ClearMolecules"35 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/ClearMolecules" 36 36 srcfile=box.xyz 37 37 testfile=test.xyz -
tests/regression/Selection/Molecules/MoleculeByFormula/testsuite-selection-select-molecules-by-formula.at
r740d40 r7db9bd 5 5 AT_KEYWORDS([selection,molecule,select-molecules-by-formula]) 6 6 7 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByFormula"7 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByFormula" 8 8 srcfile=mix.xyz 9 9 testfile=test.xyz … … 13 13 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 14 14 15 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByFormula"15 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByFormula" 16 16 srcfile=mix.xyz 17 17 testfile=test.xyz … … 21 21 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 22 22 23 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByFormula"23 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByFormula" 24 24 srcfile=mix.xyz 25 25 testfile=test.xyz … … 35 35 AT_KEYWORDS([selection,molecule,select-molecules-by-formula,undo]) 36 36 37 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByFormula"37 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByFormula" 38 38 srcfile=mix.xyz 39 39 testfile=test.xyz … … 43 43 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 44 44 45 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByFormula"45 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByFormula" 46 46 srcfile=mix.xyz 47 47 testfile=test.xyz … … 51 51 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 52 52 53 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByFormula"53 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByFormula" 54 54 srcfile=mix.xyz 55 55 testfile=test.xyz … … 65 65 AT_KEYWORDS([selection,molecule,select-molecules-by-formula,redo]) 66 66 67 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByFormula"67 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByFormula" 68 68 srcfile=mix.xyz 69 69 testfile=test.xyz … … 73 73 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 74 74 75 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByFormula"75 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByFormula" 76 76 srcfile=mix.xyz 77 77 testfile=test.xyz … … 81 81 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 82 82 83 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByFormula"83 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByFormula" 84 84 srcfile=mix.xyz 85 85 testfile=test.xyz -
tests/regression/Selection/Molecules/MoleculeByFormula/testsuite-selection-unselect-molecules-by-formula.at
r740d40 r7db9bd 5 5 AT_KEYWORDS([unselection,molecule,unselect-molecules-by-formula]) 6 6 7 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByFormula"7 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByFormula" 8 8 srcfile=mix.xyz 9 9 testfile=test.xyz … … 13 13 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 14 14 15 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByFormula"15 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByFormula" 16 16 srcfile=mix.xyz 17 17 testfile=test.xyz … … 21 21 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 22 22 23 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByFormula"23 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByFormula" 24 24 srcfile=mix.xyz 25 25 testfile=test.xyz … … 35 35 AT_KEYWORDS([unselection,molecule,unselect-molecules-by-formula,undo]) 36 36 37 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByFormula"37 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByFormula" 38 38 srcfile=mix.xyz 39 39 testfile=test.xyz … … 43 43 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 44 44 45 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByFormula"45 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByFormula" 46 46 srcfile=mix.xyz 47 47 testfile=test.xyz … … 51 51 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 52 52 53 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByFormula"53 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByFormula" 54 54 srcfile=mix.xyz 55 55 testfile=test.xyz … … 65 65 AT_KEYWORDS([unselection,molecule,unselect-molecules-by-formula,redo]) 66 66 67 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByFormula"67 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByFormula" 68 68 srcfile=mix.xyz 69 69 testfile=test.xyz … … 73 73 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 74 74 75 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByFormula"75 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByFormula" 76 76 srcfile=mix.xyz 77 77 testfile=test.xyz … … 81 81 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 82 82 83 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByFormula"83 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByFormula" 84 84 srcfile=mix.xyz 85 85 testfile=test.xyz -
tests/regression/Selection/Molecules/MoleculeById/testsuite-selection-select-molecule-by-id.at
r740d40 r7db9bd 5 5 AT_KEYWORDS([selection,molecule,select-molecule-by-id]) 6 6 7 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeById"7 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeById" 8 8 srcfile=box.xyz 9 9 testfile=test.xyz … … 19 19 AT_KEYWORDS([selection,molecule,select-molecule-by-id,undo]) 20 20 21 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeById"21 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeById" 22 22 srcfile=box.xyz 23 23 testfile=test.xyz … … 33 33 AT_KEYWORDS([selection,molecule,select-molecule-by-id,redo]) 34 34 35 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeById"35 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeById" 36 36 srcfile=box.xyz 37 37 testfile=test.xyz -
tests/regression/Selection/Molecules/MoleculeById/testsuite-selection-unselect-molecule-by-id.at
r740d40 r7db9bd 5 5 AT_KEYWORDS([unselection,molecule,unselect-molecule-by-id]) 6 6 7 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeById"7 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeById" 8 8 srcfile=box.xyz 9 9 testfile=test.xyz … … 19 19 AT_KEYWORDS([unselection,molecule,unselect-molecule-by-id,undo]) 20 20 21 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeById"21 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeById" 22 22 srcfile=box.xyz 23 23 testfile=test.xyz … … 33 33 AT_KEYWORDS([unselection,molecule,unselect-molecule-by-id,redo]) 34 34 35 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeById"35 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeById" 36 36 srcfile=box.xyz 37 37 testfile=test.xyz -
tests/regression/Selection/Molecules/MoleculeByName/testsuite-selection-select-molecules-by-name.at
r740d40 r7db9bd 4 4 AT_KEYWORDS([selection,molecule,select-molecules-by-name]) 5 5 6 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByName"6 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByName" 7 7 srcfile=test.xyz 8 8 testfile=test.xyz … … 18 18 AT_KEYWORDS([selection,molecule,select-molecules-by-name,undo]) 19 19 20 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByName"20 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByName" 21 21 srcfile=test.xyz 22 22 testfile=test.xyz … … 32 32 AT_KEYWORDS([selection,molecule,select-molecules-by-name,redo]) 33 33 34 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByName"34 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByName" 35 35 srcfile=test.xyz 36 36 testfile=test.xyz -
tests/regression/Selection/Molecules/MoleculeByName/testsuite-selection-unselect-molecules-by-name.at
r740d40 r7db9bd 5 5 AT_KEYWORDS([unselection,molecule,unselect-molecules-by-name]) 6 6 7 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByName"7 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByName" 8 8 srcfile=test.xyz 9 9 testfile=test.xyz … … 19 19 AT_KEYWORDS([unselection,molecule,unselect-molecules-by-name,undo]) 20 20 21 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByName"21 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByName" 22 22 srcfile=test.xyz 23 23 testfile=test.xyz … … 33 33 AT_KEYWORDS([unselection,molecule,unselect-molecules-by-name,redo]) 34 34 35 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByName"35 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByName" 36 36 srcfile=test.xyz 37 37 testfile=test.xyz -
tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-select-molecule-by-order-backward.at
r740d40 r7db9bd 5 5 AT_KEYWORDS([selection,molecule,select-molecule-by-order]) 6 6 7 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"7 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 8 8 srcfile=twowater.xyz 9 9 testfile=test.xyz … … 13 13 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 14 14 15 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"15 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 16 16 srcfile=twowater.xyz 17 17 testfile=test.xyz … … 27 27 AT_KEYWORDS([selection,molecule,select-molecule-by-order,undo]) 28 28 29 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"29 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 30 30 srcfile=twowater.xyz 31 31 testfile=test.xyz … … 35 35 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 36 36 37 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"37 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 38 38 srcfile=twowater.xyz 39 39 testfile=test.xyz … … 49 49 AT_KEYWORDS([selection,molecule,select-molecule-by-order,redo]) 50 50 51 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"51 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 52 52 srcfile=twowater.xyz 53 53 testfile=test.xyz … … 57 57 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 58 58 59 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"59 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 60 60 srcfile=twowater.xyz 61 61 testfile=test.xyz -
tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-select-molecule-by-order-forward.at
r740d40 r7db9bd 5 5 AT_KEYWORDS([selection,molecule,select-molecule-by-order]) 6 6 7 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"7 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 8 8 srcfile=twowater.xyz 9 9 testfile=test.xyz … … 13 13 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 14 14 15 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"15 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 16 16 srcfile=twowater.xyz 17 17 testfile=test.xyz … … 27 27 AT_KEYWORDS([selection,molecule,select-molecule-by-order,undo]) 28 28 29 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"29 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 30 30 srcfile=twowater.xyz 31 31 testfile=test.xyz … … 35 35 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 36 36 37 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"37 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 38 38 srcfile=twowater.xyz 39 39 testfile=test.xyz … … 49 49 AT_KEYWORDS([selection,molecule,select-molecule-by-order,redo]) 50 50 51 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"51 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 52 52 srcfile=twowater.xyz 53 53 testfile=test.xyz … … 57 57 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 58 58 59 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"59 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 60 60 srcfile=twowater.xyz 61 61 testfile=test.xyz -
tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-unselect-molecule-by-order-backward.at
r740d40 r7db9bd 5 5 AT_KEYWORDS([unselection,molecule,unselect-molecule-by-order]) 6 6 7 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"7 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 8 8 srcfile=twowater.xyz 9 9 testfile=test.xyz … … 13 13 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 14 14 15 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"15 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 16 16 srcfile=twowater.xyz 17 17 testfile=test.xyz … … 27 27 AT_KEYWORDS([unselection,molecule,unselect-molecule-by-order,undo]) 28 28 29 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"29 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 30 30 srcfile=twowater.xyz 31 31 testfile=test.xyz … … 35 35 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 36 36 37 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"37 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 38 38 srcfile=twowater.xyz 39 39 testfile=test.xyz … … 49 49 AT_KEYWORDS([unselection,molecule,unselect-molecule-by-order,redo]) 50 50 51 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"51 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 52 52 srcfile=twowater.xyz 53 53 testfile=test.xyz … … 57 57 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 58 58 59 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"59 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 60 60 srcfile=twowater.xyz 61 61 testfile=test.xyz -
tests/regression/Selection/Molecules/MoleculeByOrder/testsuite-selection-unselect-molecule-by-order-forward.at
r740d40 r7db9bd 5 5 AT_KEYWORDS([unselection,molecule,unselect-molecule-by-order]) 6 6 7 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"7 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 8 8 srcfile=twowater.xyz 9 9 testfile=test.xyz … … 13 13 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 14 14 15 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"15 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 16 16 srcfile=twowater.xyz 17 17 testfile=test.xyz … … 27 27 AT_KEYWORDS([unselection,molecule,unselect-molecule-by-order,undo]) 28 28 29 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"29 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 30 30 srcfile=twowater.xyz 31 31 testfile=test.xyz … … 35 35 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 36 36 37 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"37 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 38 38 srcfile=twowater.xyz 39 39 testfile=test.xyz … … 49 49 AT_KEYWORDS([unselection,molecule,unselect-molecule-by-order,redo]) 50 50 51 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"51 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 52 52 srcfile=twowater.xyz 53 53 testfile=test.xyz … … 57 57 AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) 58 58 59 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeByOrder"59 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" 60 60 srcfile=twowater.xyz 61 61 testfile=test.xyz -
tests/regression/Selection/Molecules/MoleculeOfAtom/testsuite-selection-select-atoms-molecules.at
r740d40 r7db9bd 4 4 AT_KEYWORDS([selection,molecule,select-atoms-molecules]) 5 5 6 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeOfAtom"6 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeOfAtom" 7 7 srcfile=box.xyz 8 8 testfile=test.xyz … … 18 18 AT_KEYWORDS([selection,molecule,select-atoms-molecules,undo]) 19 19 20 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeOfAtom"20 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeOfAtom" 21 21 srcfile=box.xyz 22 22 testfile=test.xyz … … 32 32 AT_KEYWORDS([selection,molecule,select-atoms-molecules,redo]) 33 33 34 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeOfAtom"34 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeOfAtom" 35 35 srcfile=box.xyz 36 36 testfile=test.xyz -
tests/regression/Selection/Molecules/MoleculeOfAtom/testsuite-selection-unselect-atoms-molecules.at
r740d40 r7db9bd 5 5 AT_KEYWORDS([unselection,molecule,unselect-atoms-molecules]) 6 6 7 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeOfAtom"7 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeOfAtom" 8 8 srcfile=box.xyz 9 9 testfile=test.xyz … … 19 19 AT_KEYWORDS([unselection,molecule,unselect-atoms-molecules,undo]) 20 20 21 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeOfAtom"21 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeOfAtom" 22 22 srcfile=box.xyz 23 23 testfile=test.xyz … … 33 33 AT_KEYWORDS([unselection,molecule,unselect-atoms-molecules,redo]) 34 34 35 regressionpath="${abs_top_srcdir}/ ${AUTOTEST_PATH}/Selection/Molecules/MoleculeOfAtom"35 regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeOfAtom" 36 36 srcfile=box.xyz 37 37 testfile=test.xyz
Note:
See TracChangeset
for help on using the changeset viewer.
