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
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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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18 | #include "LinearAlgebra/Vector.hpp"
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19 |
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20 | #include "Shape.hpp"
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21 |
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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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26 | public:
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27 | enum ShapeType{
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28 | NOWHERE, EVERYWHERE, SPHERE, CUBE, CYLINDER, SHAPETYPES_MAX
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29 | };
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30 |
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31 | ShapeType getShapeByName(const std::string &name);
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32 | std::string getShapeName(ShapeType type);
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33 |
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34 |
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35 | // setters/getters for the current state
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36 | const double* getAngle() const { return angle; }
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37 | void setAngle(double angleX, double angleY, double angleZ) { angle[0] = angleX; angle[1] = angleY; angle[2] = angleZ; }
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38 |
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39 | Vector getStretch() const { return stretch; }
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40 | void setStretch(const Vector &stretch);
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41 |
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42 | Vector getTranslation() const { return translation; }
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43 | void setTranslation(const Vector &translation) { this->translation = translation; }
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44 |
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45 | ShapeType getType() const { return type; }
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46 | void setType(ShapeType type) { this->type = type; }
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47 |
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48 | // create a shape
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49 | Shape produce() const;
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50 |
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51 | private:
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52 | // private constructor and destructor due to singleton
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53 | ShapeFactory();
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54 | virtual ~ShapeFactory();
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55 |
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56 | // name/type maps
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57 | static const char *shapeNames[];
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58 | typedef std::map<ShapeType, std::string> ShapeNameMap;
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59 | ShapeNameMap shapeNameMap;
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60 | typedef std::map<std::string,ShapeType> NameShapeMap;
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61 | NameShapeMap nameShapeMap;
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62 |
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63 | // current state
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64 | ShapeType type;
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65 | Vector translation;
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66 | Vector stretch;
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67 | double angle[NDIM];
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68 | };
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69 |
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70 | #endif /* SHAPEFACTORY_HPP_ */
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