Action_Thermostats
Add_AtomRandomPerturbation
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChangeBugEmailaddress
ChemicalSpaceEvaluator
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_oldresults
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Last change
on this file since da7ef9 was 6801f4, checked in by Frederik Heber <heber@…>, 11 years ago |
Added FillVolumeAction for filling a Shape's volume.
- added ShapeFillerPreparator for preparing the volume filler.
- FIX: MeshAdaptor should include Mesh.hpp.
- added regression tests for FillVolume for all present shapes.
- all but cylinder fail because of missing implementation, are marked as
XFAIL for the moment, except everywhere and nowhere of FillVolume which say
they fail explicitly. (this is not an implementation problem, for these
shapes filling makes no sense.) We explicitly check for the currently failing
shape types and let the Action fail (cause this works also in disable-debug).
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2 | Created by molecuilder on Wed Sep 3 23:24:49 2014, time step 0
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3 | O 0 0 0
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4 | H 0.758602 0 0.504284
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5 | H 0.758602 0 -0.504284
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