source: src/tesselationhelpers.hpp@ 5b9bba

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 5b9bba was e138de, checked in by Frederik Heber <heber@…>, 15 years ago

Huge change from ofstream * (const) out --> Log().

  • first shift was done via regular expressions
  • then via error messages from the code
  • note that class atom, class element and class molecule kept in parts their output stream, was they print to file.
  • make check runs fine
  • MISSING: Verbosity is not fixed for everything (i.e. if no endl; is present and next has Verbose(0) ...)

Signed-off-by: Frederik Heber <heber@…>
  • Property mode set to 100644
File size: 3.5 KB
Line 
1/*
2 * TesselationHelpers.hpp
3 *
4 * Auxiliary functions for the tesselation.
5 *
6 * Created on: Aug 3, 2009
7 * Author: heber
8 */
9
10#ifndef TESSELATIONHELPERS_HPP_
11#define TESSELATIONHELPERS_HPP_
12
13using namespace std;
14
15/*********************************************** includes ***********************************/
16
17// include config.h
18#ifdef HAVE_CONFIG_H
19#include <config.h>
20#endif
21
22#include <gsl/gsl_linalg.h>
23#include <gsl/gsl_matrix.h>
24#include <gsl/gsl_multimin.h>
25#include <gsl/gsl_permutation.h>
26#include <gsl/gsl_vector.h>
27
28#include <iostream>
29
30#include "defs.hpp"
31
32/****************************************** forward declarations *****************************/
33
34class BoundaryPointSet;
35class BoundaryLineSet;
36class BoundaryTriangleSet;
37class LinkedCell;
38class TesselPoint;
39class PointCloud;
40class Tesselation;
41class Vector;
42
43/********************************************** definitions *********************************/
44
45#define HULLEPSILON 1e-10
46
47/********************************************** declarations *******************************/
48
49double DetGet(gsl_matrix * const A, const int inPlace);
50void GetSphere(Vector * const Center, const Vector &a, const Vector &b, const Vector &c, const double RADIUS);
51void GetCenterOfSphere(Vector* const Center, const Vector &a, const Vector &b, const Vector &c, Vector * const NewUmkreismittelpunkt, const Vector* const Direction, const Vector* const AlternativeDirection, const double HalfplaneIndicator, const double AlternativeIndicator, const double alpha, const double beta, const double gamma, const double RADIUS, const double Umkreisradius);
52void GetCenterofCircumcircle(Vector * const Center, const Vector &a, const Vector &b, const Vector &c);
53double GetPathLengthonCircumCircle(const Vector &CircleCenter, const Vector &CirclePlaneNormal, const double CircleRadius, const Vector &NewSphereCenter, const Vector &OldSphereCenter, const Vector &NormalVector, const Vector &SearchDirection);
54double MinIntersectDistance(const gsl_vector * x, void *params);
55bool existsIntersection(const Vector &point1, const Vector &point2, const Vector &point3, const Vector &point4);
56double CalculateVolumeofGeneralTetraeder(const Vector &a, const Vector &b, const Vector &c, const Vector &d);
57double GetAngle(const Vector &point, const Vector &reference, const Vector &OrthogonalVector);
58
59bool CheckLineCriteriaForDegeneratedTriangle(const BoundaryPointSet * const nodes[3]);
60bool SortCandidates(const CandidateForTesselation* candidate1, const CandidateForTesselation *candidate2);
61TesselPoint* FindClosestPoint(const Vector* Point, TesselPoint *&SecondPoint, const LinkedCell* const LC);
62TesselPoint* FindSecondClosestPoint(const Vector*, const LinkedCell* const LC);
63Vector * GetClosestPointBetweenLine(const BoundaryLineSet * const Base, const BoundaryLineSet * const OtherBase);
64
65void WriteTecplotFile(ofstream * const tecplot, const Tesselation * const TesselStruct, const PointCloud * const cloud, const int N);
66void WriteRaster3dFile(ofstream * const rasterfile, const Tesselation * const Tess, const PointCloud * const cloud);
67void IncludeSphereinRaster3D(ofstream * const rasterfile, const Tesselation *Tess, const PointCloud *cloud);
68void WriteVrmlFile(ofstream * const vrmlfile, const Tesselation * const Tess, const PointCloud * const cloud);
69void CalculateConcavityPerBoundaryPoint(const Tesselation * const TesselStruct);
70double DistanceToTrianglePlane(const Vector *x, const BoundaryTriangleSet * const triangle);
71
72bool CheckListOfBaselines(const Tesselation * const TesselStruct);
73
74
75#endif /* TESSELATIONHELPERS_HPP_ */
Note: See TracBrowser for help on using the repository browser.