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
|
Last change
on this file since 8fc1a6 was c8b17b, checked in by Frederik Heber <heber@…>, 13 years ago |
|
DISTCHECKFIX: Added missing chmod u+w were appropriate.
- This is necessary as files are copied as read-only which prevents molecuilder
from writing changes to file.
|
-
Property mode
set to
100644
|
|
File size:
1.3 KB
|
| Rev | Line | |
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| [70269a] | 1 | ### Subgraph dissection
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|---|
| 2 |
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| [e69c87] | 3 | AT_SETUP([Graph - subgraph dissection])
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| [e611dc] | 4 | AT_KEYWORDS([graph subgraph-dissection])
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| [23b0c2] | 5 |
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| 6 | file=test.conf
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| [7db9bd] | 7 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/SubgraphDissection/pre/test.conf $file], 0)
|
|---|
| [c8b17b] | 8 | AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
|
|---|
| [23b0c2] | 9 | AT_CHECK([../../molecuilder -i $file -v 3 -I], 0, [stdout], [stderr])
|
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| [70269a] | 10 | AT_CHECK([fgrep "I scanned 31 molecules." stdout], 0, [ignore], [ignore])
|
|---|
| [23b0c2] | 11 |
|
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| [e69c87] | 12 | AT_CLEANUP
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|---|
| 13 |
|
|---|
| 14 |
|
|---|
| 15 | AT_SETUP([Graph - subgraph dissection with Undo])
|
|---|
| [e611dc] | 16 | AT_KEYWORDS([graph subgraph-dissection undo])
|
|---|
| [e69c87] | 17 |
|
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| [23b0c2] | 18 | file=test.conf
|
|---|
| [7db9bd] | 19 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/SubgraphDissection/pre/test.conf $file], 0)
|
|---|
| [c8b17b] | 20 | AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
|
|---|
| [23b0c2] | 21 | AT_CHECK([../../molecuilder -i $file -v 3 -I --undo], 0, [stdout], [stderr])
|
|---|
| [70269a] | 22 | AT_CHECK([fgrep "I scanned 31 molecules." stdout], 0, [ignore], [ignore])
|
|---|
| [23b0c2] | 23 |
|
|---|
| [e69c87] | 24 | AT_CLEANUP
|
|---|
| 25 |
|
|---|
| 26 |
|
|---|
| 27 | AT_SETUP([Graph - subgraph dissection with Redo])
|
|---|
| [e611dc] | 28 | AT_KEYWORDS([graph subgraph-dissection redo])
|
|---|
| [e69c87] | 29 |
|
|---|
| [23b0c2] | 30 | file=test.conf
|
|---|
| [7db9bd] | 31 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/SubgraphDissection/pre/test.conf $file], 0)
|
|---|
| [c8b17b] | 32 | AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
|
|---|
| [23b0c2] | 33 | AT_CHECK([../../molecuilder -i $file -v 3 -I --undo --redo], 0, [stdout], [stderr])
|
|---|
| [70269a] | 34 | AT_CHECK([grep -c "I scanned 31 molecules." stdout], 0, [2
|
|---|
| 35 | ], [ignore])
|
|---|
| [23b0c2] | 36 |
|
|---|
| [70269a] | 37 | AT_CLEANUP
|
|---|
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