Changeset f10b0c for src/Actions/MoleculeAction/LoadAction.cpp

Timestamp:

Jun 11, 2012, 9:53:19 AM (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:

95f965

Parents:

b9c69d

git-author:

Michael Ankele <ankele@…> (04/24/12 13:55:16)

git-committer:

Frederik Heber <heber@…> (06/11/12 09:53:19)

Message:

disastrously big and ugly commit

• using new Parameter<T> classes:
  • Actions
  • Queries (all UIs)

• TODO:
  • actions crash cause Value is unset
  • no query<BoxVector>

File:

• src/Actions/MoleculeAction/LoadAction.cpp (modified) (4 diffs)

src/Actions/MoleculeAction/LoadAction.cpp

@@ -44 +44 @@
 Action::state_ptr MoleculeLoadAction::performCall() {
   // parsing file if present
-  if (!boost::filesystem::exists(params.filename)) {
-    LOG(1, "Specified input file " << params.filename << " not found.");
+  if (!boost::filesystem::exists(params.filename.get())) {
+    LOG(1, "Specified input file " << params.filename.get() << " not found.");
     return Action::failure;
   } else {
@@ -53 +53 @@
     std::string FilenameSuffix;
     std::string FilenamePrefix;
-    if (params.filename.has_filename()) {
+    if (params.filename.get().has_filename()) {
       // get suffix
 #if BOOST_VERSION >= 104600
-      FilenameSuffix = params.filename.extension().string().substr(1); // remove the prefixed "."
-      FilenamePrefix = params.filename.stem().string();
+      FilenameSuffix = params.filename.get().extension().string().substr(1); // remove the prefixed "."
+      FilenamePrefix = params.filename.get().stem().string();
 #else
-      FilenameSuffix = params.filename.extension().substr(1); // remove the prefixed "."
-      FilenamePrefix = params.filename.stem();
+      FilenameSuffix = params.filename.get().extension().substr(1); // remove the prefixed "."
+      FilenamePrefix = params.filename.get().stem();
 #endif
     } else {
@@ -79 +79 @@
     // parse the file
     boost::filesystem::ifstream input;
-    input.open(params.filename);
+    input.open(params.filename.get());
     FormatParserStorage::getInstance().load(input, FilenameSuffix);
     input.close();
@@ -125 +125 @@
   // parse the file
   boost::filesystem::ifstream input;
-  input.open(state->params.filename);
+  input.open(state->params.filename.get());
   FormatParserStorage::getInstance().load(input, state->FilenameSuffix);
   input.close();