Changeset 957c42 for src/lists.hpp

Timestamp:

Feb 25, 2010, 11:15:22 AM (15 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, 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:

5a7243

Parents:

0188ea (diff), 244d26 (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 MenuRefactoring

File:

• src/lists.hpp (modified) (11 diffs)

src/lists.hpp

@@ -9 +9 @@
 #define LISTS_HPP_
 
+class atom;
+
 /******************************** Some templates for list management ***********************************/
 
@@ -18 +20 @@
 {
   X *vorher = end->previous;
-  if (vorher != NULL)
+  if (vorher != 0)
     vorher->next = walker;
   end->previous = walker;
@@ -31 +33 @@
 template <typename X> void unlink(X *walker)
 {
-  if (walker->next != NULL)
+  if (walker->next != 0)
     walker->next->previous = walker->previous;
-  if (walker->previous != NULL)
+  if (walker->previous != 0)
     walker->previous->next = walker->next;
-  walker->next = NULL;
-  walker->previous= NULL;
+  walker->next = 0;
+  walker->previous= 0;
 };
 
@@ -46 +48 @@
 template <typename X>  bool add(X *pointer, X *end)
 {
-  if (end != NULL) {
+  if (end != 0) {
     link(pointer, end);
   } else {
-    pointer->previous = NULL;
-    pointer->next = NULL;
+    pointer->previous = 0;
+    pointer->next = 0;
   }
   return true;
@@ -59 +61 @@
  * \param *start  begin of list
  * \param *end  end of list
- * \return X - if found, NULL - if not found
+ * \return X - if found, 0 - if not found
  */
 template <typename X, typename Y> X * find(Y *suche, X *start, X *end)
@@ -68 +70 @@
     if (*walker->sort == *suche) return (walker);
   }
-  return NULL;
+  return 0;
 };
 
@@ -77 +79 @@
 template <typename X> void removewithoutcheck(X *walker)
 {
-  if (walker != NULL) {
+  if (walker != 0) {
     unlink(walker);
     delete(walker);
-    walker = NULL;
+    walker = 0;
   }
 };
+
+/** Removes an item from the list without check.
+ *  specialized for atoms, because these have to be removed from the world as well
+ *  the implementation for this declaration is in lists.cpp
+ * \param *walker item to be removed
+ * \return true - removing succeeded, false - given item not found in list
+ */
+template <> void removewithoutcheck<atom>(atom *walker);
 
 /** Removes an item from the list, checks if exists.
@@ -99 +109 @@
   }*/
   // atom found, now unlink
-  if (walker != NULL)
+  if (walker != 0)
     removewithoutcheck(walker);
   else
@@ -114 +124 @@
 {
   X *pointer = start->next;
-  X *walker = NULL;
+  X *walker = 0;
   while (pointer != end) { // go through list
     walker = pointer; // mark current
@@ -131 +141 @@
 {
   X *Binder = me;
-  while(Binder->previous != NULL)
+  while(Binder->previous != 0)
     Binder = Binder->previous;
   return Binder;
@@ -143 +153 @@
 {
   X *Binder = me;
-  while(Binder->next != NULL)
+  while(Binder->next != 0)
     Binder = Binder->next;
   return Binder;