Changeset 72f611 for src

Timestamp:

Aug 28, 2010, 12:57:56 AM (15 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:

8bb05e

Parents:

e3e6e2

git-author:

Frederik Heber <heber@…> (08/26/10 13:26:15)

git-committer:

Frederik Heber <heber@…> (08/28/10 00:57:56)

Message:

Added set/queryCurrentValue for BoxVector and Dialog::quer<> specialization.

• uses queryVector but with "true" instead of "false".

Location:

src

Files:

• Actions/MapOfActions.cpp (modified) (3 diffs)
• Actions/MapOfActions.hpp (modified) (2 diffs)
• UIElements/Dialog.cpp (modified) (2 diffs)

src/Actions/MapOfActions.cpp

@@ -42 +42 @@
 #include "molecule.hpp"
 #include "periodentafel.hpp"
+#include "LinearAlgebra/BoxVector.hpp"
 #include "LinearAlgebra/Vector.hpp"
 #include "Helpers/Verbose.hpp"
@@ -731 +732 @@
 }
 
+void MapOfActions::queryCurrentValue(const char * name, class BoxVector &_T) {
+  if (typeid( VectorValue ) == *TypeMap[name]) {
+    std::istringstream stream(CurrentValue[name]);
+    CurrentValue.erase(name);
+    stream >> _T[0];
+    stream >> _T[1];
+    stream >> _T[2];
+  } else
+    throw IllegalTypeException(__FILE__,__LINE__);
+}
+
 void MapOfActions::queryCurrentValue(const char * name, std::vector<atom *>&_T)
 {
@@ -841 +853 @@
 
 void MapOfActions::setCurrentValue(const char * name, class Vector &_T)
+{
+  if (typeid( VectorValue ) == *TypeMap[name]){
+    std::ostringstream stream;
+    stream << _T[0] << " ";
+    stream << _T[1] << " ";
+    stream << _T[2] << " ";
+    CurrentValue[name] = stream.str();
+  } else
+    throw IllegalTypeException(__FILE__,__LINE__);
+}
+
+void MapOfActions::setCurrentValue(const char * name, class BoxVector &_T)
 {
   if (typeid( VectorValue ) == *TypeMap[name]){

src/Actions/MapOfActions.hpp

@@ -169 +169 @@
   void queryCurrentValue(const char * name, class Box &_T);
   void queryCurrentValue(const char * name, class Vector &_T);
+  void queryCurrentValue(const char * name, class BoxVector &_T);
   void queryCurrentValue(const char * name, std::vector<atom *>&_T);
   void queryCurrentValue(const char * name, std::vector<const element *>&_T);
@@ -203 +204 @@
   void setCurrentValue(const char * name, class Box &_T);
   void setCurrentValue(const char * name, class Vector &_T);
+  void setCurrentValue(const char * name, class BoxVector &_T);
   void setCurrentValue(const char * name, std::vector<atom *>&_T);
   void setCurrentValue(const char * name, std::vector<const element *>&_T);

src/UIElements/Dialog.cpp

@@ -28 +28 @@
 #include "element.hpp"
 #include "molecule.hpp"
+#include "LinearAlgebra/BoxVector.hpp"
 #include "LinearAlgebra/Vector.hpp"
 #include "LinearAlgebra/Matrix.hpp"
@@ -154 +155 @@
 }
 
+template <> void Dialog::query<BoxVector>(const char *token, std::string description)
+{
+  queryVector(token, true, description);
+}
+
+template <> void Dialog::query< std::vector<BoxVector> >(const char *token, std::string description)
+{
+  queryVectors(token, true, description);
+}
+
 template <> void Dialog::query<Box>(const char *token, std::string description)
 {