Changeset 7d9416 for src/UIElements/CommandLineUI/CommandLineParser_validate.cpp

Timestamp:

Jun 13, 2012, 5:39:06 PM (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:

d496fd

Parents:

a483e4

git-author:

Michael Ankele <ankele@…> (05/10/12 15:00:12)

git-committer:

Frederik Heber <heber@…> (06/13/12 17:39:06)

Message:

Turned query<Box> into query<RealSpaceMatrix>

• CenterInBox and ChangeBox require RealSpaceMatrix instead of Box now for parameter cell_size.
• changed all query instances for Box, now query for RealSpaceMatrix.
• renamed BoxValue to RealSpaceMatrixValue (no other changes required). This is needed by the CommandLineUI only.

File:

• src/UIElements/CommandLineUI/CommandLineParser_validate.cpp (modified) (2 diffs)

src/UIElements/CommandLineUI/CommandLineParser_validate.cpp

@@ -84 +84 @@
 }
 
-void validate(boost::any& v, const std::vector<std::string>& values, BoxValue *, int)
+void validate(boost::any& v, const std::vector<std::string>& values, RealSpaceMatrixValue *, int)
 {
-  BoxValue BV;
+  RealSpaceMatrixValue RSMV;
   std::vector<std::string> components;
 
@@ -129 +129 @@
   }
   for (size_t i=0;i<(NDIM*(NDIM+1))/2; ++i)
-    BV.matrix[i] = boost::lexical_cast<double>(components.at(i));
-  v = boost::any(BoxValue(BV));
+    RSMV.matrix[i] = boost::lexical_cast<double>(components.at(i));
+  v = boost::any(RealSpaceMatrixValue(RSMV));
 }