Changeset cd032d for src/config.cpp

Timestamp:

Mar 11, 2010, 2:46:41 PM (16 years ago)

Author:

Tillmann Crueger <crueger@…>

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, Candidate_v1.7.0, 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:

68d781

Parents:

a77c96 (diff), ed58ad (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'StructureRefactoring' into QT4Refactoring

Conflicts:

molecuilder/src/builder.cpp
molecuilder/src/defs.hpp

File:

• src/config.cpp (modified) (7 diffs)

src/config.cpp

@@ -733 +733 @@
             sprintf(keyword,"%s_%i",name, j+1);
             if (repetition == 0) {
-              neues = World::get()->createAtom();
+              neues = World::getInstance().createAtom();
               AtomList[i][j] = neues;
               LinearList[ FileBuffer->LineMapping[FileBuffer->CurrentLine] ] = neues;
@@ -812 +812 @@
           sprintf(keyword,"%s_%i",name, j+1);
           if (repetition == 0) {
-            neues = World::get()->createAtom();
+            neues = World::getInstance().createAtom();
             AtomList[i][j] = neues;
             LinearList[ FileBuffer->LineMapping[FileBuffer->CurrentLine] ] = neues;
@@ -851 +851 @@
 void config::Load(const char * const filename, const string &BondGraphFileName, const periodentafel * const periode, MoleculeListClass * const &MolList)
 {
-  molecule *mol = World::get()->createMolecule();
+  molecule *mol = World::getInstance().createMolecule();
   ifstream *file = new ifstream(filename);
   if (file == NULL) {
@@ -1089 +1089 @@
 void config::LoadOld(const char * const filename, const string &BondGraphFileName, const periodentafel * const periode, MoleculeListClass * const &MolList)
 {
-  molecule *mol = World::get()->createMolecule();
+  molecule *mol = World::getInstance().createMolecule();
   ifstream *file = new ifstream(filename);
   if (file == NULL) {
@@ -1288 +1288 @@
         }
         istringstream input2(zeile);
-        atom *neues = World::get()->createAtom();
+        atom *neues = World::getInstance().createAtom();
         input2 >> neues->x.x[0]; // x
         input2 >> neues->x.x[1]; // y
@@ -1788 +1788 @@
   char filename[MAXSTRINGSIZE];
   ofstream output;
-  molecule *mol = World::get()->createMolecule();
+  molecule *mol = World::getInstance().createMolecule();
   mol->SetNameFromFilename(ConfigFileName);
 
@@ -1899 +1899 @@
   }
 
-  World::get()->destroyMolecule(mol);
+  World::getInstance().destroyMolecule(mol);
 };