Changeset 4e145c for src/Actions/MapOfActions.cpp

Timestamp:

Jul 23, 2010, 4:28:28 PM (14 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:

6bf52f

Parents:

655c98

git-author:

Frederik Heber <heber@…> (07/23/10 16:24:35)

git-committer:

Frederik Heber <heber@…> (07/23/10 16:28:28)

Message:

Actions can now be called non-interactively, MissingValueException thrown.

• new exception MissingValue which is thrown when MapOfActions does not have a desired entry in CurrentValue map.
• new enum Action::QueryOptions.
• Action::call() has flag whether call should be interactive (popping up dialog) or not.
• cleaned-up Makefile.am a bit ...

File:

• src/Actions/MapOfActions.cpp (modified) (8 diffs)

src/Actions/MapOfActions.cpp

@@ -13 +13 @@
 #include "Descriptors/AtomIdDescriptor.hpp"
 #include "Descriptors/MoleculeIdDescriptor.hpp"
+#include "Helpers/Assert.hpp"
 #include "Patterns/Singleton_impl.hpp"
-#include "Helpers/Assert.hpp"
 
 #include <boost/lexical_cast.hpp>
@@ -508 +508 @@
 {
   int atomID = -1;
-  if (typeid( atom ) == *TypeMap[name])
+  if (typeid( atom ) == *TypeMap[name]) {
+    if (CurrentValue.find(name) == CurrentValue.end())
+      throw MissingValueException(__FILE__, __LINE__);
     atomID = lexical_cast<int>(CurrentValue[name].c_str());
-  else
+    CurrentValue.erase(name);
+  } else
     throw IllegalTypeException(__FILE__,__LINE__);
   _T = World::getInstance().getAtom(AtomById(atomID));
@@ -517 +520 @@
 void MapOfActions::queryCurrentValue(const char * name, class element * &_T)  {
   int Z = -1;
-  if (typeid( element ) == *TypeMap[name])
+  if (typeid( element ) == *TypeMap[name]) {
+    if (CurrentValue.find(name) == CurrentValue.end())
+      throw MissingValueException(__FILE__, __LINE__);
     Z = lexical_cast<int>(CurrentValue[name].c_str());
-  else
+    CurrentValue.erase(name);
+  } else
     throw IllegalTypeException(__FILE__,__LINE__);
   _T = World::getInstance().getPeriode()->FindElement(Z);
@@ -526 +532 @@
 void MapOfActions::queryCurrentValue(const char * name, class molecule * &_T) {
   int molID = -1;
-  if (typeid( molecule ) == *TypeMap[name])
+  if (typeid( molecule ) == *TypeMap[name]) {
+    if (CurrentValue.find(name) == CurrentValue.end())
+      throw MissingValueException(__FILE__, __LINE__);
     molID = lexical_cast<int>(CurrentValue[name].c_str());
-  else
+    CurrentValue.erase(name);
+  } else
     throw IllegalTypeException(__FILE__,__LINE__);
   _T = World::getInstance().getMolecule(MoleculeById(molID));
@@ -537 +546 @@
   double tmp;
   if (typeid( BoxValue ) == *TypeMap[name]) {
+    if (CurrentValue.find(name) == CurrentValue.end())
+      throw MissingValueException(__FILE__, __LINE__);
     std::istringstream stream(CurrentValue[name]);
+    CurrentValue.erase(name);
     stream >> tmp;
     M.set(0,0,tmp);
@@ -560 +572 @@
   if (typeid( VectorValue ) == *TypeMap[name]) {
     std::istringstream stream(CurrentValue[name]);
+    CurrentValue.erase(name);
     stream >> _T[0];
     stream >> _T[1];
@@ -572 +585 @@
   element *elemental = NULL;
   if (typeid( std::vector<element *> ) == *TypeMap[name]) {
+    if (CurrentValue.find(name) == CurrentValue.end())
+      throw MissingValueException(__FILE__, __LINE__);
     std::istringstream stream(CurrentValue[name]);
+    CurrentValue.erase(name);
     while (!stream.fail()) {
       stream >> Z;
@@ -587 +603 @@
   std::string temp;
   if (typeid( std::vector<std::string> ) == *TypeMap[name]) {
+    if (CurrentValue.find(name) == CurrentValue.end())
+      throw MissingValueException(__FILE__, __LINE__);
     std::istringstream stream(CurrentValue[name]);
+    CurrentValue.erase(name);
     while (!stream.fail()) {
       stream >> temp >> ws;