Changeset 797126

Timestamp:

Jul 2, 2010, 3:58:53 PM (14 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:

08d9595

Parents:

417813

Message:

Removed two more unused functions

Location:

src

Files:

• tesselationhelpers.cpp (modified) (1 diff)
• tesselationhelpers.hpp (modified) (1 diff)

src/tesselationhelpers.cpp

@@ -217 +217 @@
   Vector x3;
   Vector x4;
-};
-
-/**
- * Intersection calculation function.
- *
- * @param x to find the result for
- * @param function parameter
- */
-double MinIntersectDistance(const gsl_vector * x, void *params)
-{
-        Info FunctionInfo(__func__);
-  double retval = 0;
-  struct Intersection *I = (struct Intersection *)params;
-  Vector intersection;
-  for (int i=0;i<NDIM;i++)
-    intersection[i] = gsl_vector_get(x, i);
-
-  Vector SideA = I->x1 -I->x2 ;
-  Vector HeightA = intersection - I->x1;
-  HeightA.ProjectOntoPlane(SideA);
-
-  Vector SideB = I->x3 - I->x4;
-  Vector HeightB = intersection - I->x3;
-  HeightB.ProjectOntoPlane(SideB);
-
-  retval = HeightA.ScalarProduct(HeightA) + HeightB.ScalarProduct(HeightB);
-  //Log() << Verbose(1) << "MinIntersectDistance called, result: " << retval << endl;
-
-  return retval;
-};
-
-
-/**
- * Calculates whether there is an intersection between two lines. The first line
- * always goes through point 1 and point 2 and the second line is given by the
- * connection between point 4 and point 5.
- *
- * @param point 1 of line 1
- * @param point 2 of line 1
- * @param point 1 of line 2
- * @param point 2 of line 2
- *
- * @return true if there is an intersection between the given lines, false otherwise
- */
-bool existsIntersection(const Vector &point1, const Vector &point2, const Vector &point3, const Vector &point4)
-{
-        Info FunctionInfo(__func__);
-  bool result;
-
-  struct Intersection par;
-    par.x1 = point1;
-    par.x2 = point2;
-    par.x3 = point3;
-    par.x4 = point4;
-
-    const gsl_multimin_fminimizer_type *T = gsl_multimin_fminimizer_nmsimplex;
-    gsl_multimin_fminimizer *s = NULL;
-    gsl_vector *ss, *x;
-    gsl_multimin_function minexFunction;
-
-    size_t iter = 0;
-    int status;
-    double size;
-
-    /* Starting point */
-    x = gsl_vector_alloc(NDIM);
-    gsl_vector_set(x, 0, point1[0]);
-    gsl_vector_set(x, 1, point1[1]);
-    gsl_vector_set(x, 2, point1[2]);
-
-    /* Set initial step sizes to 1 */
-    ss = gsl_vector_alloc(NDIM);
-    gsl_vector_set_all(ss, 1.0);
-
-    /* Initialize method and iterate */
-    minexFunction.n = NDIM;
-    minexFunction.f = &MinIntersectDistance;
-    minexFunction.params = (void *)&par;
-
-    s = gsl_multimin_fminimizer_alloc(T, NDIM);
-    gsl_multimin_fminimizer_set(s, &minexFunction, x, ss);
-
-    do {
-        iter++;
-        status = gsl_multimin_fminimizer_iterate(s);
-
-        if (status) {
-          break;
-        }
-
-        size = gsl_multimin_fminimizer_size(s);
-        status = gsl_multimin_test_size(size, 1e-2);
-
-        if (status == GSL_SUCCESS) {
-          DoLog(1) && (Log() << Verbose(1) << "converged to minimum" <<  endl);
-        }
-    } while (status == GSL_CONTINUE && iter < 100);
-
-    // check whether intersection is in between or not
-  Vector intersection;
-  double t1, t2;
-  for (int i = 0; i < NDIM; i++) {
-    intersection[i] = gsl_vector_get(s->x, i);
-  }
-
-  Vector SideA = par.x2 - par.x1;
-  Vector HeightA = intersection - par.x1;
-
-  t1 = HeightA.ScalarProduct(SideA)/SideA.ScalarProduct(SideA);
-
-  Vector SideB = par.x4 - par.x3;
-  Vector HeightB = intersection - par.x3;
-
-  t2 = HeightB.ScalarProduct(SideB)/SideB.ScalarProduct(SideB);
-
-  Log() << Verbose(1) << "Intersection " << intersection << " is at "
-    << t1 << " for (" << point1 << "," << point2 << ") and at "
-    << t2 << " for (" << point3 << "," << point4 << "): ";
-
-  if (((t1 >= 0) && (t1 <= 1)) && ((t2 >= 0) && (t2 <= 1))) {
-    DoLog(1) && (Log() << Verbose(1) << "true intersection." << endl);
-    result = true;
-  } else {
-    DoLog(1) && (Log() << Verbose(1) << "intersection out of region of interest." << endl);
-    result = false;
-  }
-
-  // free minimizer stuff
-    gsl_vector_free(x);
-    gsl_vector_free(ss);
-    gsl_multimin_fminimizer_free(s);
-
-  return result;
 };
 

src/tesselationhelpers.hpp

@@ -51 +51 @@
 void GetCenterofCircumcircle(Vector * const Center, const Vector &a, const Vector &b, const Vector &c);
 double GetPathLengthonCircumCircle(const Vector &CircleCenter, const Vector &CirclePlaneNormal, const double CircleRadius, const Vector &NewSphereCenter, const Vector &OldSphereCenter, const Vector &NormalVector, const Vector &SearchDirection);
-double MinIntersectDistance(const gsl_vector * x, void *params);
-bool existsIntersection(const Vector &point1, const Vector &point2, const Vector &point3, const Vector &point4);
 double CalculateVolumeofGeneralTetraeder(const Vector &a, const Vector &b, const Vector &c, const Vector &d);
 double CalculateAreaofGeneralTriangle(const Vector &A, const Vector &B, const Vector &C);