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
Last change
on this file since 9cd807 was 13e3c3, checked in by Frederik Heber <heber@…>, 15 years ago |
Merge branch 'SmallFixes' into stable
Conflicts:
src/Shapes/BaseShapes.cpp
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-
Property mode
set to
100644
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File size:
1.8 KB
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1 | /*
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2 | * BaseShapes_impl.cpp
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3 | *
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4 | * Created on: Jun 18, 2010
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5 | * Author: crueger
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6 | */
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7 |
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8 | // include config.h
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9 | #ifdef HAVE_CONFIG_H
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10 | #include <config.h>
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11 | #endif
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12 |
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13 | #include "Helpers/MemDebug.hpp"
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14 |
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15 | #include "Shapes/BaseShapes.hpp"
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16 | #include "Shapes/BaseShapes_impl.hpp"
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17 |
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18 | #include <cmath>
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19 |
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20 | #include "Helpers/Assert.hpp"
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21 | #include "LinearAlgebra/Vector.hpp"
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22 |
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23 | bool Sphere_impl::isInside(const Vector &point){
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24 | return point.NormSquared()<=1;
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25 | }
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26 |
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27 |
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28 | /**
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29 | * algorithm taken from http://www.cgafaq.info/wiki/Evenly_distributed_points_on_sphere
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30 | * \param N number of points on surface
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31 | */
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32 | std::vector<Vector> Sphere_impl::getHomogeneousPointsOnSurface(const int N) const {
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33 | std::vector<Vector> PointsOnSurface;
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34 |
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35 | const double dlength = M_PI*(3.-sqrt(5.));
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36 | double length = 0;
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37 | const double dz = 2.0/N;
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38 | double z = 1. - dz/2.;
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39 | Vector point;
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40 | for (int ka = 0; ka<N; ka++){
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41 | const double r = sqrt(1.-z*z);
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42 | point.Zero();
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43 | point[0] = cos(length)*r;
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44 | point[1] = sin(length)*r;
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45 | point[2] = z;
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46 | PointsOnSurface.push_back(point);
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47 | z = z - dz;
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48 | length = length + dlength;
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49 | }
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50 |
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51 | ASSERT(PointsOnSurface.size() == N, "Sphere_impl::getHomogeneousPointsOnSurface() did not create enough points.");
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52 | return PointsOnSurface;
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53 | }
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54 |
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55 |
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56 | Shape Sphere(){
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57 | Shape::impl_ptr impl = Shape::impl_ptr(new Sphere_impl());
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58 | return Shape(impl);
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59 | }
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60 |
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61 | bool Cuboid_impl::isInside(const Vector &point){
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62 | return (point[0]>=0 && point[0]<=1) && (point[1]>=0 && point[1]<=1) && (point[2]>=0 && point[2]<=1);
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63 | }
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64 |
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65 | /**
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66 | * \param N number of points on surface
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67 | */
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68 | std::vector<Vector> Cuboid_impl::getHomogeneousPointsOnSurface(const int N) const {
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69 | std::vector<Vector> PointsOnSurface;
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70 | ASSERT(false, "Cuboid_impl::getHomogeneousPointsOnSurface() not implemented yet");
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71 | return PointsOnSurface;
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72 | }
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73 |
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74 | Shape Cuboid(){
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75 | Shape::impl_ptr impl = Shape::impl_ptr(new Cuboid_impl());
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76 | return Shape(impl);
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77 | }
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