Changeset 6f5dfe for src/Actions/MapOfActions.cpp

Timestamp:

Oct 22, 2010, 4:13:36 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:

bd2390, db7cb0

Parents:

e4decc

Message:

Added boost::filesystem usage for input files.

• parameters for Action input now have type boost::filesystem.
• rewritten Actions to use boost::filesystems
• in the progress of writing FileQtQuery to present a file dialog.

File:

• src/Actions/MapOfActions.cpp (modified) (4 diffs)

src/Actions/MapOfActions.cpp

@@ -31 +31 @@
 #include <boost/optional.hpp>
 #include <boost/program_options.hpp>
+#include <boost/filesystem.hpp>
 
 #include <iostream>
@@ -367 +368 @@
   TypeMap["fill-void"] = &typeid(std::string);
   TypeMap["fragment-mol"] = &typeid(std::string);
-  TypeMap["input"] = &typeid(std::string);
+  TypeMap["input"] = &typeid(boost::filesystem::path);
   TypeMap["linear-interpolate"] = &typeid(std::string);
   TypeMap["molecular-volume"] = &typeid(molecule);
@@ -825 +826 @@
 }
 
+void MapOfActions::queryCurrentValue(const char * name, boost::filesystem::path&_T)
+{
+  std::string tmp;
+  if (typeid( boost::filesystem::path ) == *TypeMap[name]) {
+    if (CurrentValue.find(name) == CurrentValue.end())
+      throw MissingValueException(__FILE__, __LINE__);
+    std::istringstream stream(CurrentValue[name]);
+    CurrentValue.erase(name);
+    if (!stream.fail()) {
+      stream >> tmp >> ws;
+      _T = tmp;
+    }
+  } else
+    throw IllegalTypeException(__FILE__,__LINE__);
+}
+
 
 void MapOfActions::setCurrentValue(const char * name, class atom * &_T)
@@ -927 +944 @@
       stream << (*iter)->getId() << " ";
     }
+    CurrentValue[name] = stream.str();
+  } else
+    throw IllegalTypeException(__FILE__,__LINE__);
+}
+
+void MapOfActions::setCurrentValue(const char * name, boost::filesystem::path &_T)
+{
+  if (typeid( boost::filesystem::path ) == *TypeMap[name]) {
+    std::ostringstream stream;
+    stream << _T.string();
     CurrentValue[name] = stream.str();
   } else