source: src/LinearAlgebra/VectorInterface.hpp@ 2e4105

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 Candidate_v1.7.0 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
Last change on this file since 2e4105 was 56f73b, checked in by Frederik Heber <heber@…>, 15 years ago

Added config.h also to all header files, code check test ascertain this in the future.

  • as we want to use config.h to pass stuff such as MEMDEBUG, NDEBUG, LOG_OBSERVER, we have to make sure that it is present in each and every file.
  • split up CodeChecks/testsuite.at: each test has its own .at file.
  • Property mode set to 100644
File size: 2.0 KB
Line 
1/*
2 * VectorInterface.hpp
3 *
4 * Created on: Jul 29, 2010
5 * Author: heber
6 */
7
8#ifndef VECTORINTERFACE_HPP_
9#define VECTORINTERFACE_HPP_
10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16
17#include <cstring>
18#include <iostream>
19
20class Vector;
21
22/** Contains all functions of the class Vector as virtual definitions, to give any
23 * class derived from it the interface of a Vector, i.e. Vector-like abilities
24 * (i.e. the scaffold design pattern).
25 */
26class VectorInterface {
27public:
28
29 // Accessors ussually come in pairs... and sometimes even more than that
30 virtual const double& operator[](size_t i) const = 0;
31 virtual const double& at(size_t i) const = 0;
32 virtual void set(size_t i, const double value) = 0;
33 virtual const Vector& getPosition() const = 0;
34
35 // Assignment operator
36 virtual void setPosition(const Vector& _vector) = 0;
37
38 // operators for mathematical operations
39 virtual const VectorInterface& operator+=(const Vector& b) = 0;
40 virtual const VectorInterface& operator-=(const Vector& b) = 0;
41 virtual Vector const operator+(const Vector& b) const = 0;
42 virtual Vector const operator-(const Vector& b) const = 0;
43
44 virtual void Zero() = 0;
45 virtual void One(const double one) = 0;
46 virtual void LinearCombinationOfVectors(const Vector &x1, const Vector &x2, const Vector &x3, const double * const factors) = 0;
47
48 virtual double distance(const Vector &point) const = 0;
49 virtual double DistanceSquared(const Vector &y) const = 0;
50 virtual double distance(const VectorInterface &_atom) const = 0;
51 virtual double DistanceSquared(const VectorInterface &_atom) const = 0;
52
53 virtual void ScaleAll(const double *factor) = 0;
54 virtual void ScaleAll(const Vector &factor) = 0;
55 virtual void Scale(const double factor) = 0;
56
57 virtual std::ostream & operator << (std::ostream &ost) const = 0;
58
59protected:
60 /** Constructor and destructor are protected as VectorInterface should never
61 * be instantiated by itself but only as a derived class.
62 */
63 VectorInterface();
64 ~VectorInterface();
65};
66
67#endif /* VECTORINTERFACE_HPP_ */
Note: See TracBrowser for help on using the repository browser.