Changeset 8db598 for src/tesselation.cpp

Timestamp:

Mar 1, 2010, 10:10:13 PM (15 years ago)

Author:

Frederik Heber <heber@…>

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:

cb85c2e

Parents:

30d9e7

git-author:

Frederik Heber <heber@…> (03/01/10 20:48:40)

git-committer:

Frederik Heber <heber@…> (03/01/10 22:10:13)

Message:

New class TriangleIntersection List and (hopefully) final fix of CorrelationToSurface().

• Distances to surface were still calculated between the vector and the triangle plane not the triangle itself. Although functions such as BoundaryTriangleSet::GetClosestPointInsideTriangle had already been written.
• As in class Tesselation there were many functions that all did the same: Calculate intersections between a point and all closeby triangles and then get the intersection or calculate this minimum distance and so ...
• ... this was all put into a new class (in a new file): TriangleIntersectionList whose constructor scans all nearby triangles and put the calculates Intersections in the triangle into a list.
• Functions as IsInside(), GetSmallestDistance(), GetClosestIntersection() and GetClosestTriangle() bring the desired functionality to the outside.
• Respective functions in class Tesselation just make use of this new class and its member functions.
• CorrelationToSurface() also directly instantiates this class to effectively use two of its functions.
• Makefile.am has this new file in its SOURCES and HEADERS.
• Tesselation:GetDistanceSquaredToSurface() -> Tesselation:GetDistanceToSurface(), FillBoxWithMolecule() has been adapted to this change.

AnalysisCorrelationToSurfaceUnitTest:

• still has errors in it, as the distance were wrong before (because with respect to triangle plane, not triangle). Hence, the test was corrected.

Signed-off-by: Frederik Heber <heber@…>

File:

• src/tesselation.cpp (modified) (7 diffs)

src/tesselation.cpp

@@ -14 +14 @@
 #include "tesselation.hpp"
 #include "tesselationhelpers.hpp"
+#include "triangleintersectionlist.hpp"
 #include "vector.hpp"
 #include "verbose.hpp"
@@ -474 +475 @@
 };
 
-/** Finds the point on the triangle \a *BTS through which the line defined by \a *MolCenter and \a *x crosses.
- * We call Vector::GetIntersectionWithPlane() to receive the intersection point with the plane
+/** Finds the point on the triangle to the point \a *x.
+ * We call Vector::GetIntersectionWithPlane() with \a * and the center of the triangle to receive an intersection point.
+ * Then we check the in-plane part (the part projected down onto plane). We check whether it crosses one of the
+ * boundary lines. If it does, we return this intersection as closest point, otherwise the projected point down.
  * Thus we test if it's really on the plane and whether it's inside the triangle on the plane or not.
  * The latter is done as follows: We calculate the cross point of one of the triangle's baseline with the line
@@ -3222 +3225 @@
 };
 
-
 /** Finds the triangle that is closest to a given Vector \a *x.
  * \param *out output stream for debugging
@@ -3315 +3317 @@
  * \param *out output stream for debugging
  * \param *x Vector to look from
+ * \param &distance contains found distance on return
  * \return list of BoundaryTriangleSet of nearest triangles or NULL.
  */
@@ -3358 +3361 @@
 bool Tesselation::IsInnerPoint(const Vector &Point, const LinkedCell* const LC) const
 {
-  return (GetDistanceSquaredToSurface(Point, LC) < MYEPSILON);
-}
+  Info FunctionInfo(__func__);
+  TriangleIntersectionList Intersections(&Point,this,LC);
+
+  return Intersections.IsInside();
+};
 
 /** Returns the distance to the surface given by the tesselation.
@@ -3432 +3438 @@
 };
 
-/** Calculates distance to a tesselated surface.
+/** Calculates minimum distance from \a&Point to a tesselated surface.
  * Combines \sa FindClosestTrianglesToVector() and \sa GetDistanceSquaredToTriangle().
  * \param &Point point to calculate distance from
@@ -3438 +3444 @@
  * \return distance squared to closest point on surface
  */
-double Tesselation::GetDistanceSquaredToSurface(const Vector &Point, const LinkedCell* const LC) const
-{
-  BoundaryTriangleSet *triangle = FindClosestTriangleToVector(&Point, LC);
-  const double distance = GetDistanceSquaredToTriangle(Point, triangle);
-  return Min(distance, LC->RADIUS);
+double Tesselation::GetDistanceToSurface(const Vector &Point, const LinkedCell* const LC) const
+{
+  Info FunctionInfo(__func__);
+  TriangleIntersectionList Intersections(&Point,this,LC);
+
+  return Intersections.GetSmallestDistance();
+};
+
+/** Calculates minimum distance from \a&Point to a tesselated surface.
+ * Combines \sa FindClosestTrianglesToVector() and \sa GetDistanceSquaredToTriangle().
+ * \param &Point point to calculate distance from
+ * \param *LC needed for finding closest points fast
+ * \return distance squared to closest point on surface
+ */
+BoundaryTriangleSet * Tesselation::GetClosestTriangleOnSurface(const Vector &Point, const LinkedCell* const LC) const
+{
+  Info FunctionInfo(__func__);
+  TriangleIntersectionList Intersections(&Point,this,LC);
+
+  return Intersections.GetClosestTriangle();
 };