Changeset fac58f for src/Parser/FormatParserStorage.cpp

Timestamp:

Jul 24, 2015, 4:44:35 PM (10 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:

f3b597

Parents:

99db9b

git-author:

Frederik Heber <heber@…> (06/02/15 08:52:11)

git-committer:

Frederik Heber <heber@…> (07/24/15 16:44:35)

Message:

Converted FormatParser::save() to using vector of const atom ptrs.

• required to change all save() functions in all parsers.

File:

• src/Parser/FormatParserStorage.cpp (modified) (5 diffs)

src/Parser/FormatParserStorage.cpp

@@ -317 +317 @@
 bool FormatParserStorage::saveSelectedAtoms(std::ostream &output, std::string suffix)
 {
-  std::vector<atom *> atoms = World::getInstance().getSelectedAtoms();
+  const std::vector<const atom *> atoms =
+      const_cast<const World &>(World::getInstance()).getSelectedAtoms();
   return save(output, suffix, atoms);
 }
@@ -333 +334 @@
 bool FormatParserStorage::saveSelectedMolecules(std::ostream &output, std::string suffix)
 {
-  std::vector<molecule *> molecules = World::getInstance().getSelectedMolecules();
-  std::map<size_t, atom *> IdAtoms;
-  for (std::vector<molecule *>::const_iterator MolIter = molecules.begin();
+  const std::vector<const molecule *> molecules =
+      const_cast<const World &>(World::getInstance()).getSelectedMolecules();
+  std::map<size_t, const atom *> IdAtoms;
+  for (std::vector<const molecule *>::const_iterator MolIter = molecules.begin();
       MolIter != molecules.end();
       ++MolIter) {
-    for(molecule::iterator AtomIter = (*MolIter)->begin();
+    for(molecule::const_iterator AtomIter = (*MolIter)->begin();
         AtomIter != (*MolIter)->end();
         ++AtomIter) {
@@ -344 +346 @@
     }
   }
-  std::vector<atom *> atoms;
+  std::vector<const atom *> atoms;
   atoms.reserve(IdAtoms.size());
-  for (std::map<size_t, atom *>::const_iterator iter = IdAtoms.begin();
+  for (std::map<size_t, const atom *>::const_iterator iter = IdAtoms.begin();
       iter != IdAtoms.end();
       ++iter) {
@@ -361 +363 @@
 bool FormatParserStorage::saveWorld(std::ostream &output, std::string suffix)
 {
-  std::vector<atom *> atoms = World::getInstance().getAllAtoms();
+  const std::vector<const atom *> atoms =
+      const_cast<const World &>(World::getInstance()).getAllAtoms();
   return save(output, suffix, atoms);
 }
@@ -370 +373 @@
  * \return true - storing ok, false - suffix unknown
  */
-bool FormatParserStorage::save(std::ostream &output, std::string suffix, const std::vector<atom *> &atoms)
+bool FormatParserStorage::save(
+    std::ostream &output,
+    std::string suffix,
+    const std::vector<const atom *> &atoms)
 {
   enum ParserTypes type = getTypeFromSuffix(suffix);