Changeset 5e588b5

Timestamp:

Jul 1, 2010, 2:24:25 PM (15 years ago)

Author:

Tillmann Crueger <crueger@…>

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:

205d9b

Parents:

b5bf84

Message:

Added more Shape operations

Location:

src/Shapes

Files:

• ShapeOps.cpp (modified) (3 diffs)
• ShapeOps.hpp (modified) (1 diff)
• ShapeOps_impl.hpp (modified) (2 diffs)

src/Shapes/ShapeOps.cpp

@@ -10 +10 @@
 
 #include "Helpers/Assert.hpp"
+
+/********************* Resize ********************/
 
 Resize_impl::Resize_impl(const Shape::impl_ptr &_arg,double _size) :
@@ -28 +30 @@
 }
 
+/*************************** translate *******************/
+
 Translate_impl::Translate_impl(const Shape::impl_ptr &_arg, const Vector &_offset) :
   arg(_arg),offset(_offset)
@@ -42 +46 @@
   return Shape(impl);
 }
+
+/*********************** stretch ******************/
+
+Stretch_impl::Stretch_impl(const Shape::impl_ptr &_arg, const Vector &_factors) :
+  arg(_arg),factors(_factors)
+{
+  ASSERT(factors[0]>0,"cannot stretch a shape by a negative amount");
+  ASSERT(factors[1]>0,"cannot stretch a shape by a negative amount");
+  ASSERT(factors[2]>0,"cannot stretch a shape by a negative amount");
+  for(int i = NDIM;i--;){
+    reciFactors[i] = 1/factors[i];
+  }
+}
+
+Stretch_impl::~Stretch_impl(){}
+
+bool Stretch_impl::isInside(const Vector& point){
+  Vector helper=point;
+  helper.ScaleAll(reciFactors);
+  return arg->isInside(helper);
+}
+
+Shape stretch(const Shape &arg, const Vector &factors){
+  Shape::impl_ptr impl = Shape::impl_ptr(new Stretch_impl(getShapeImpl(arg),factors));
+  return Shape(impl);
+}
+
+/************************* transform *****************/
+
+Transform_impl::Transform_impl(const Shape::impl_ptr &_arg, const Matrix &_transformation) :
+  arg(_arg),transformation(_transformation)
+{
+  transformationInv = transformation.invert();
+}
+
+Transform_impl::~Transform_impl(){}
+
+bool Transform_impl::isInside(const Vector& point){
+  return arg->isInside(transformationInv * point);
+}
+
+Shape transform(const Shape &arg, const Matrix &transformation){
+  Shape::impl_ptr impl = Shape::impl_ptr(new Transform_impl(getShapeImpl(arg),transformation));
+  return Shape(impl);
+}

src/Shapes/ShapeOps.hpp

@@ -11 +11 @@
 #include "Shapes/Shape.hpp"
 
+class Matrix;
+
 Shape resize(const Shape&,double);
-
 Shape translate(const Shape&, const Vector&);
+Shape stretch(const Shape&, const Vector&);
+Shape transform(const Shape&,const Matrix&);
 
 #endif /* SHAPEOPS_HPP_ */

src/Shapes/ShapeOps_impl.hpp

@@ -11 +11 @@
 #include "Shapes/Shape_impl.hpp"
 #include "vector.hpp"
+#include "Matrix.hpp"
 
 class Resize_impl :  public Shape_impl
@@ -34 +35 @@
 };
 
+class Stretch_impl : public Shape_impl
+{
+public:
+  Stretch_impl(const Shape::impl_ptr&, const Vector&);
+  virtual ~Stretch_impl();
+  virtual bool isInside(const Vector& point);
+private:
+  Shape::impl_ptr arg;
+  Vector factors;
+  Vector reciFactors;
+};
+
+class Transform_impl : public Shape_impl
+{
+public:
+  Transform_impl(const Shape::impl_ptr&, const Matrix&);
+  virtual ~Transform_impl();
+  virtual bool isInside(const Vector& point);
+private:
+  Shape::impl_ptr arg;
+  Matrix transformation;
+  Matrix transformationInv;
+};
+
 #endif /* SHAPEOPS_IMPL_HPP_ */