Changeset 8e1f7af for src

Timestamp:

May 8, 2010, 8:34:05 PM (15 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:

d893f79

Parents:

4a75d9

git-author:

Frederik Heber <heber@…> (05/08/10 20:30:27)

git-committer:

Frederik Heber <heber@…> (05/08/10 20:34:05)

Message:

class config added to World.

• World now has the global configuration.
• new function World::getConfig().
• TextWindow::TextWindow() uses thr above to obtain the configuration.

Signed-off-by: Frederik Heber <heber@…>

Location:

src

Files:

• UIElements/TextWindow.cpp (modified) (1 diff)
• UIElements/UIFactory.hpp (modified) (1 diff)
• World.cpp (modified) (4 diffs)
• World.hpp (modified) (3 diffs)
• builder.cpp (modified) (1 diff)

src/UIElements/TextWindow.cpp

@@ -52 +52 @@
 {
   MoleculeListClass *molecules = World::getInstance().getMolecules();
-  config *configuration = NULL;
+  config *configuration = World::getInstance().getConfig();
   periodentafel *periode = World::getInstance().getPeriode();
   char *ConfigFileName = NULL;

src/UIElements/UIFactory.hpp

@@ -12 +12 @@
 class Dialog;
 class DialogDescription;
-
-class MoleculeListClass;
-class config;
-class periodentafel;
 
 struct menuPopulaters;

src/World.cpp

@@ -9 +9 @@
 
 #include "atom.hpp"
+#include "config.hpp"
 #include "molecule.hpp"
 #include "periodentafel.hpp"
@@ -25 +26 @@
 periodentafel *&World::getPeriode(){
   return periode;
+}
+
+config *&World::getConfig(){
+  return configuration;
 }
 
@@ -267 +272 @@
 World::World() :
     periode(new periodentafel),
+    configuration(new config),
     atoms(),
     currAtomId(0),
@@ -292 +298 @@
   delete molecules_deprecated;
   delete periode;
+  delete configuration;
   MoleculeSet::iterator molIter;
   for(molIter=molecules.begin();molIter!=molecules.end();++molIter){

src/World.hpp

@@ -30 +30 @@
 
 // forward declarations
+class config;
 class periodentafel;
 class MoleculeListClass;
@@ -75 +76 @@
 
   /**
+   * returns the configuration for the world.
+   */
+  config *&getConfig();
+
+  /**
    * returns the first atom that matches a given descriptor.
    * Do not rely on ordering for descriptors that match more than one atom.
@@ -234 +240 @@
 
   periodentafel *periode;
+  config *configuration;
   static double *cell_size;
   static char *defaultName;

src/builder.cpp

@@ -2560 +2560 @@
 int main(int argc, char **argv)
 {
-    config *configuration = new config;
+    config *configuration = World::getInstance().getConfig();
     Vector x, y, z, n;
     ifstream test;
     ofstream output;
     string line;
-    char *ConfigFileName = NULL;
 
     cout << ESPACKVersion << endl;