Changeset 387b36

Timestamp:

Jun 11, 2010, 12:19:27 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:

6c7352

Parents:

f821d6

git-author:

Frederik Heber <heber@…> (06/11/10 09:36:09)

git-committer:

Frederik Heber <heber@…> (06/11/10 12:19:27)

Message:

Case 'X' is now handled by CommandLineUI, World::get/setDefaultName() operate on std:string not on char * anymore.

• the char array is very fault-prone and is deprecated. Hence, replacement by std::string is good idea in any case.
• Here, setDefaultName deleted and re-allocated the pointer with a certain length. Good for memory, bad for safety.
• molecule::molecule() - changes due to the above.

Location:

src

Files:

• Actions/MapOfActions.cpp (modified) (1 diff)
• Actions/WorldAction/SetDefaultNameAction.cpp (modified) (2 diffs)
• World.cpp (modified) (4 diffs)
• World.hpp (modified) (2 diffs)
• builder.cpp (modified) (1 diff)
• molecule.cpp (modified) (1 diff)

src/Actions/MapOfActions.cpp

@@ -241 +241 @@
 //      generic.insert("change-element");
 //  generic.insert("convex-envelope");
-//      generic.insert("default-molname");
+        generic.insert("default-molname");
         generic.insert("depth-first-search");
         generic.insert("element-db");

src/Actions/WorldAction/SetDefaultNameAction.cpp

@@ -8 +8 @@
 #include "Actions/WorldAction/SetDefaultNameAction.hpp"
 #include "log.hpp"
+#include "verbose.hpp"
 #include "World.hpp"
 
@@ -36 +37 @@
 
   if(dialog->display()) {
-    char outputname[MAXSTRINGSIZE];
-    strcpy(outputname, defaultname.c_str());
-    World::getInstance().setDefaultName(outputname);
+    World::getInstance().setDefaultName(defaultname);
+    DoLog(0) && (Log() << Verbose(0) << "Default name of new molecules set to " << World::getInstance().getDefaultName() << "." << endl);
     delete dialog;
     return Action::success;

src/World.cpp

@@ -79 +79 @@
 }
 
-char * World::getDefaultName() {
+std::string World::getDefaultName() {
   return defaultName;
 }
 
-void World::setDefaultName(char * name)
+void World::setDefaultName(std::string name)
 {
-  delete[](defaultName);
-  const int length = strlen(name);
-  if (length < MAXSTRINGSIZE) {
-    defaultName = new char[length+2];
-    strncpy(defaultName, name, length);
-  } else {
-    defaultName = new char[MAXSTRINGSIZE];
-    strncpy(defaultName, "none", MAXSTRINGSIZE-1);
-  }
+  defaultName = name;
 };
 
@@ -133 +125 @@
 
 double *World::cell_size = NULL;
-char *World::defaultName = NULL;
 
 atom *World::createAtom(){
@@ -301 +292 @@
   cell_size[4] = 0.;
   cell_size[5] = 20.;
-  defaultName = new char[MAXSTRINGSIZE];
-  strcpy(defaultName, "none");
+  defaultName = "none";
   molecules_deprecated->signOn(this);
 }
@@ -310 +300 @@
   molecules_deprecated->signOff(this);
   delete[] cell_size;
-  delete[] defaultName;
   delete molecules_deprecated;
   delete periode;

src/World.hpp

@@ -135 +135 @@
    * get the default name
    */
-  char * getDefaultName();
+  std::string getDefaultName();
 
   /**
    * set the default name
    */
-  void setDefaultName(char * name);
+  void setDefaultName(std::string name);
 
   /*
@@ -253 +253 @@
   config *configuration;
   static double *cell_size;
-  static char *defaultName;
+  std::string defaultName;
   int ExitFlag;
 public:

src/builder.cpp

@@ -1587 +1587 @@
             break;
           case 'X':
-            {
-              World::getInstance().setDefaultName(argv[argptr]);
-              DoLog(0) && (Log() << Verbose(0) << "Default name of new molecules set to " << World::getInstance().getDefaultName() << "." << endl);
-            }
+            ArgcList.insert(argptr-1);
+            ArgcList.insert(argptr);
+            argptr+=1;
             break;
           default:   // no match? Step on

src/molecule.cpp

@@ -46 +46 @@
   for(int i=MAX_ELEMENTS;i--;)
     ElementsInMolecule[i] = 0;
-  strcpy(name,World::getInstance().getDefaultName());
+  strcpy(name,World::getInstance().getDefaultName().c_str());
 };