- Timestamp:
- Jun 30, 2010, 10:21:12 AM (15 years ago)
- 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:
- 4b0cbb
- Parents:
- 83c09a
- Location:
- src
- Files:
-
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Box.cpp
r83c09a r7579a4b 18 18 } 19 19 20 Box::Box(const Box& src){ 21 M=new Matrix(*src.M); 22 Minv = new Matrix(*src.Minv); 23 } 24 20 25 Box::~Box() 21 26 { … … 24 29 } 25 30 26 const Matrix &Box::getM() {31 const Matrix &Box::getM() const{ 27 32 return *M; 28 33 } 29 const Matrix &Box::getMinv() {34 const Matrix &Box::getMinv() const{ 30 35 return *Minv; 31 36 } … … 35 40 *Minv = M->invert(); 36 41 } 42 43 Box &Box::operator=(const Box &src){ 44 if(&src!=this){ 45 delete M; 46 delete Minv; 47 M = new Matrix(*src.M); 48 Minv = new Matrix(*src.Minv); 49 } 50 return *this; 51 } 52 53 Box &Box::operator=(const Matrix &mat){ 54 setM(mat); 55 return *this; 56 } -
src/Box.hpp
r83c09a r7579a4b 15 15 public: 16 16 Box(); 17 Box(const Box&); 17 18 virtual ~Box(); 18 19 19 const Matrix &getM() ;20 const Matrix &getMinv() ;20 const Matrix &getM() const; 21 const Matrix &getMinv() const; 21 22 void setM(Matrix); 23 24 Box &operator=(const Box&); 25 Box &operator=(const Matrix&); 26 22 27 private: 23 28 Matrix *M; //!< Defines the layout of the box
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