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
Rev | Line | |
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[bebafd] | 1 | /*
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| 2 | * ShapeFactory.hpp
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| 3 | *
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| 4 | * Created on: Sep 5, 2012
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| 5 | * Author: ankele
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| 6 | */
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| 7 |
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| 8 | #ifndef SHAPEFACTORY_HPP_
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| 9 | #define SHAPEFACTORY_HPP_
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| 10 |
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| 11 |
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| 12 | // include config.h
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| 13 | #ifdef HAVE_CONFIG_H
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| 14 | #include <config.h>
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| 15 | #endif
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| 16 |
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| 17 | #include "CodePatterns/Singleton.hpp"
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[4f041a4] | 18 | #include "LinearAlgebra/Vector.hpp"
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[bebafd] | 19 |
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[4477b7] | 20 | #include "Shape.hpp"
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| 21 |
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[bebafd] | 22 | class ShapeFactory : public Singleton<ShapeFactory>
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| 23 | {
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| 24 | friend class Singleton<ShapeFactory>;
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| 25 |
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[6e5d35] | 26 | public:
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| 27 |
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| 28 | ShapeType getShapeByName(const std::string &name);
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| 29 | std::string getShapeName(ShapeType type);
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[98d03b] | 30 | bool isValidShapeName(const std::string &name);
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[6e5d35] | 31 |
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[4f041a4] | 32 |
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| 33 | // setters/getters for the current state
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| 34 | const double* getAngle() const { return angle; }
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| 35 | void setAngle(double angleX, double angleY, double angleZ) { angle[0] = angleX; angle[1] = angleY; angle[2] = angleZ; }
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| 36 |
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| 37 | Vector getStretch() const { return stretch; }
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| 38 | void setStretch(const Vector &stretch);
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| 39 |
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| 40 | Vector getTranslation() const { return translation; }
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| 41 | void setTranslation(const Vector &translation) { this->translation = translation; }
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| 42 |
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| 43 | ShapeType getType() const { return type; }
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[a367b8] | 44 | void setType(ShapeType type);
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[4f041a4] | 45 |
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[4477b7] | 46 | // create a shape
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| 47 | Shape produce() const;
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| 48 |
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[bebafd] | 49 | private:
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| 50 | // private constructor and destructor due to singleton
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| 51 | ShapeFactory();
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| 52 | virtual ~ShapeFactory();
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[6e5d35] | 53 |
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[4f041a4] | 54 | // name/type maps
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[6e5d35] | 55 | static const char *shapeNames[];
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| 56 | typedef std::map<ShapeType, std::string> ShapeNameMap;
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| 57 | ShapeNameMap shapeNameMap;
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| 58 | typedef std::map<std::string,ShapeType> NameShapeMap;
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| 59 | NameShapeMap nameShapeMap;
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[4f041a4] | 60 |
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| 61 | // current state
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| 62 | ShapeType type;
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| 63 | Vector translation;
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| 64 | Vector stretch;
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| 65 | double angle[NDIM];
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[bebafd] | 66 | };
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| 67 |
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| 68 | #endif /* SHAPEFACTORY_HPP_ */
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