source: src/BoundaryPointSet.cpp@ c38826

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 c38826 was bcf653, checked in by Frederik Heber <heber@…>, 14 years ago

Added copyright note to each .cpp file and an extensive one to builder.cpp.

  • Property mode set to 100644
File size: 2.6 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * BoundaryPointSet.cpp
10 *
11 * Created on: Jul 29, 2010
12 * Author: heber
13 */
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include "Helpers/MemDebug.hpp"
21
22#include "BoundaryPointSet.hpp"
23
24#include <iostream>
25
26#include "BoundaryLineSet.hpp"
27#include "BoundaryTriangleSet.hpp"
28#include "TesselPoint.hpp"
29
30#include "Helpers/Assert.hpp"
31#include "Helpers/Info.hpp"
32#include "Helpers/Log.hpp"
33#include "LinearAlgebra/Vector.hpp"
34#include "Helpers/Verbose.hpp"
35
36using namespace std;
37
38// ======================================== Points on Boundary =================================
39
40/** Constructor of BoundaryPointSet.
41 */
42BoundaryPointSet::BoundaryPointSet() :
43 LinesCount(0),
44 value(0.),
45 Nr(-1)
46{
47 Info FunctionInfo(__func__);
48 DoLog(1) && (Log() << Verbose(1) << "Adding noname." << endl);
49}
50;
51
52/** Constructor of BoundaryPointSet with Tesselpoint.
53 * \param *Walker TesselPoint this boundary point represents
54 */
55BoundaryPointSet::BoundaryPointSet(TesselPoint * const Walker) :
56 LinesCount(0),
57 node(Walker),
58 value(0.),
59 Nr(Walker->nr)
60{
61 Info FunctionInfo(__func__);
62 DoLog(1) && (Log() << Verbose(1) << "Adding Node " << *Walker << endl);
63}
64;
65
66/** Destructor of BoundaryPointSet.
67 * Sets node to NULL to avoid removing the original, represented TesselPoint.
68 * \note When removing point from a class Tesselation, use RemoveTesselationPoint()
69 */
70BoundaryPointSet::~BoundaryPointSet()
71{
72 Info FunctionInfo(__func__);
73 //Log() << Verbose(0) << "Erasing point nr. " << Nr << "." << endl;
74 if (!lines.empty())
75 DoeLog(2) && (eLog() << Verbose(2) << "Memory Leak! I " << *this << " am still connected to some lines." << endl);
76 node = NULL;
77}
78;
79
80/** Add a line to the LineMap of this point.
81 * \param *line line to add
82 */
83void BoundaryPointSet::AddLine(BoundaryLineSet * const line)
84{
85 Info FunctionInfo(__func__);
86 DoLog(1) && (Log() << Verbose(1) << "Adding " << *this << " to line " << *line << "." << endl);
87 if (line->endpoints[0] == this) {
88 lines.insert(LinePair(line->endpoints[1]->Nr, line));
89 } else {
90 lines.insert(LinePair(line->endpoints[0]->Nr, line));
91 }
92 LinesCount++;
93}
94;
95
96/** output operator for BoundaryPointSet.
97 * \param &ost output stream
98 * \param &a boundary point
99 */
100ostream & operator <<(ostream &ost, const BoundaryPointSet &a)
101{
102 ost << "[" << a.Nr << "|" << a.node->getName() << " at " << a.node->getPosition() << "]";
103 return ost;
104}
105;
Note: See TracBrowser for help on using the repository browser.