Changeset 005e18 for src

Timestamp:

Apr 30, 2010, 9:53:16 AM (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:

1513a74

Parents:

0e01b4

Message:

Added const correctness to plane class and simplified interface

Location:

src

Files:

• Plane.cpp (modified) (2 diffs)
• Plane.hpp (modified) (1 diff)
• Space.cpp (modified) (2 diffs)
• Space.hpp (modified) (1 diff)
• vector.cpp (modified) (1 diff)
• vector.hpp (modified) (1 diff)

src/Plane.cpp

@@ -172 +172 @@
 /************ Methods inherited from Space ****************/
 
-double Plane::distance(Vector &point){
+double Plane::distance(const Vector &point) const{
   double res = point.ScalarProduct(*normalVector)-offset;
   return fabs(res);
 }
 
-Vector Plane::getClosestPoint(Vector &point){
+Vector Plane::getClosestPoint(const Vector &point) const{
   Vector difference = distance(point) * (*normalVector);
   if(difference.IsZero()){
@@ -189 +189 @@
   return (point - (sign * difference));
 }
-
-bool Plane::isContained(Vector &point){
-  return (fabs(point.ScalarProduct(*normalVector) - offset)) < MYEPSILON;
-}

src/Plane.hpp

@@ -52 +52 @@
   /****** Methods inherited from Space ***********/
 
-  virtual double distance(Vector &point);
-  virtual Vector getClosestPoint(Vector &point);
-  virtual bool isContained(Vector &point);
-
+  virtual double distance(const Vector &point) const;
+  virtual Vector getClosestPoint(const Vector &point) const;
 
 private:

src/Space.cpp

@@ -7 +7 @@
 
 #include "Space.hpp"
+#include "vector.hpp"
 
 Space::Space()
@@ -13 +14 @@
 Space::~Space()
 {}
+
+bool Space::hasZero() const{
+  return isContained(zeroVec);
+}
+
+bool Space::isContained(const Vector &point) const{
+  return (distance(point)) < MYEPSILON;
+}

src/Space.hpp

@@ -17 +17 @@
   virtual ~Space();
 
-  virtual double distance(Vector &point)=0;
-  virtual Vector getClosestPoint(Vector &point)=0;
-  virtual bool isContained(Vector &point)=0;
+  virtual double distance(const Vector &point) const=0;
+  virtual Vector getClosestPoint(const Vector &point) const=0;
+  virtual bool isContained(const Vector &point) const;
+  virtual bool hasZero() const;
+
 };
 

src/vector.cpp

@@ -719 +719 @@
   return isInside;
 }
+
+
+// some comonly used vectors
+const Vector zeroVec(0,0,0);
+const Vector e1(1,0,0);
+const Vector e2(0,1,0);
+const Vector e3(0,0,1);

src/vector.hpp

@@ -101 +101 @@
 };
 
+// some commonly used and fixed vectors
+const extern Vector zeroVec;
+const extern Vector e1;
+const extern Vector e2;
+const extern Vector e3;
+
 ostream & operator << (ostream& ost, const Vector &m);
 const Vector& operator*=(Vector& a, const double m);