Changeset 387b36 for src


Ignore:
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:
6 edited

Legend:

Unmodified
Added
Removed
  • src/Actions/MapOfActions.cpp

    rf821d6 r387b36  
    241241//      generic.insert("change-element");
    242242//  generic.insert("convex-envelope");
    243 //      generic.insert("default-molname");
     243        generic.insert("default-molname");
    244244        generic.insert("depth-first-search");
    245245        generic.insert("element-db");
  • src/Actions/WorldAction/SetDefaultNameAction.cpp

    rf821d6 r387b36  
    88#include "Actions/WorldAction/SetDefaultNameAction.hpp"
    99#include "log.hpp"
     10#include "verbose.hpp"
    1011#include "World.hpp"
    1112
     
    3637
    3738  if(dialog->display()) {
    38     char outputname[MAXSTRINGSIZE];
    39     strcpy(outputname, defaultname.c_str());
    40     World::getInstance().setDefaultName(outputname);
     39    World::getInstance().setDefaultName(defaultname);
     40    DoLog(0) && (Log() << Verbose(0) << "Default name of new molecules set to " << World::getInstance().getDefaultName() << "." << endl);
    4141    delete dialog;
    4242    return Action::success;
  • src/World.cpp

    rf821d6 r387b36  
    7979}
    8080
    81 char * World::getDefaultName() {
     81std::string World::getDefaultName() {
    8282  return defaultName;
    8383}
    8484
    85 void World::setDefaultName(char * name)
     85void World::setDefaultName(std::string name)
    8686{
    87   delete[](defaultName);
    88   const int length = strlen(name);
    89   if (length < MAXSTRINGSIZE) {
    90     defaultName = new char[length+2];
    91     strncpy(defaultName, name, length);
    92   } else {
    93     defaultName = new char[MAXSTRINGSIZE];
    94     strncpy(defaultName, "none", MAXSTRINGSIZE-1);
    95   }
     87  defaultName = name;
    9688};
    9789
     
    133125
    134126double *World::cell_size = NULL;
    135 char *World::defaultName = NULL;
    136127
    137128atom *World::createAtom(){
     
    301292  cell_size[4] = 0.;
    302293  cell_size[5] = 20.;
    303   defaultName = new char[MAXSTRINGSIZE];
    304   strcpy(defaultName, "none");
     294  defaultName = "none";
    305295  molecules_deprecated->signOn(this);
    306296}
     
    310300  molecules_deprecated->signOff(this);
    311301  delete[] cell_size;
    312   delete[] defaultName;
    313302  delete molecules_deprecated;
    314303  delete periode;
  • src/World.hpp

    rf821d6 r387b36  
    135135   * get the default name
    136136   */
    137   char * getDefaultName();
     137  std::string getDefaultName();
    138138
    139139  /**
    140140   * set the default name
    141141   */
    142   void setDefaultName(char * name);
     142  void setDefaultName(std::string name);
    143143
    144144  /*
     
    253253  config *configuration;
    254254  static double *cell_size;
    255   static char *defaultName;
     255  std::string defaultName;
    256256  int ExitFlag;
    257257public:
  • src/builder.cpp

    rf821d6 r387b36  
    15871587            break;
    15881588          case 'X':
    1589             {
    1590               World::getInstance().setDefaultName(argv[argptr]);
    1591               DoLog(0) && (Log() << Verbose(0) << "Default name of new molecules set to " << World::getInstance().getDefaultName() << "." << endl);
    1592             }
     1589            ArgcList.insert(argptr-1);
     1590            ArgcList.insert(argptr);
     1591            argptr+=1;
    15931592            break;
    15941593          default:   // no match? Step on
  • src/molecule.cpp

    rf821d6 r387b36  
    4646  for(int i=MAX_ELEMENTS;i--;)
    4747    ElementsInMolecule[i] = 0;
    48   strcpy(name,World::getInstance().getDefaultName());
     48  strcpy(name,World::getInstance().getDefaultName().c_str());
    4949};
    5050
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