source: src/Actions/TesselationAction/ConvexEnvelopeAction.cpp@ 8f4df1

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Last change on this file since 8f4df1 was 8f4df1, checked in by Frederik Heber <heber@…>, 14 years ago

Merge branch 'AtomicPositionEncapsulation' into stable

Conflicts:

src/Actions/AtomAction/ChangeElementAction.cpp
src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp
src/Makefile.am
src/UIElements/TextUI/TextDialog.cpp
src/analysis_correlation.hpp
src/atom.cpp
src/atom_atominfo.hpp
src/bond.cpp
src/boundary.cpp
src/molecule_geometry.cpp
src/tesselation.cpp
src/tesselationhelpers.cpp
src/triangleintersectionlist.cpp
src/unittests/Makefile.am

  • fixed #includes due to moves to Helpers and LinearAlgebra
  • moved VectorInterface.* and vector_ops.* to LinearAlgebra
  • no more direct access of atom::node, remapped to set/getPosition()
  • no more direct access to atom::type, remapped to set/getType() (also in atom due to derivation and atominfo::AtomicElement is private not protected).
  • Property mode set to 100644
File size: 4.6 KB
Line 
1/*
2 * ConvexEnvelopeAction.cpp
3 *
4 * Created on: May 12, 2010
5 * Author: heber
6 */
7
8#include "Helpers/MemDebug.hpp"
9
10#include "Actions/TesselationAction/ConvexEnvelopeAction.hpp"
11#include "Actions/ActionRegistry.hpp"
12#include "boundary.hpp"
13#include "config.hpp"
14#include "linkedcell.hpp"
15#include "Helpers/Log.hpp"
16#include "molecule.hpp"
17#include "Helpers/Verbose.hpp"
18#include "World.hpp"
19
20#include <iostream>
21#include <string>
22
23using namespace std;
24
25#include "UIElements/UIFactory.hpp"
26#include "UIElements/Dialog.hpp"
27#include "Actions/ValueStorage.hpp"
28
29/****** TesselationConvexEnvelopeAction *****/
30
31// memento to remember the state when undoing
32
33//class TesselationConvexEnvelopeState : public ActionState {
34//public:
35// TesselationConvexEnvelopeState(molecule* _mol,std::string _lastName) :
36// mol(_mol),
37// lastName(_lastName)
38// {}
39// molecule* mol;
40// std::string lastName;
41//};
42
43const char TesselationConvexEnvelopeAction::NAME[] = "convex-envelope";
44
45TesselationConvexEnvelopeAction::TesselationConvexEnvelopeAction() :
46 Action(NAME)
47{}
48
49TesselationConvexEnvelopeAction::~TesselationConvexEnvelopeAction()
50{}
51
52void TesselationConvexEnvelope(std::string &filenameConvex, std::string &filenameNonConvex) {
53 ValueStorage::getInstance().setCurrentValue("convex-file", filenameConvex);
54 ValueStorage::getInstance().setCurrentValue("nonconvex-file", filenameConvex);
55 ActionRegistry::getInstance().getActionByName(TesselationConvexEnvelopeAction::NAME)->call(Action::NonInteractive);
56};
57
58Dialog* TesselationConvexEnvelopeAction::fillDialog(Dialog *dialog) {
59 ASSERT(dialog,"No Dialog given when filling action dialog");
60
61 dialog->queryEmpty(NAME, ValueStorage::getInstance().getDescription(NAME));
62 dialog->queryString("convex-file", ValueStorage::getInstance().getDescription("convex-file"));
63 dialog->queryString("nonconvex-file", ValueStorage::getInstance().getDescription("nonconvex-file"));
64
65 return dialog;
66}
67
68Action::state_ptr TesselationConvexEnvelopeAction::performCall() {
69 string filenameConvex;
70 string filenameNonConvex;
71 molecule * mol = NULL;
72 bool Success = true;
73 config *configuration = World::getInstance().getConfig();
74
75 ValueStorage::getInstance().queryCurrentValue("convex-file", filenameConvex);
76 ValueStorage::getInstance().queryCurrentValue("nonconvex-file", filenameNonConvex);
77
78 for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) {
79 mol = iter->second;
80 class Tesselation *TesselStruct = NULL;
81 const LinkedCell *LCList = NULL;
82 DoLog(0) && (Log() << Verbose(0) << "Evaluating volume of the convex envelope.");
83 DoLog(1) && (Log() << Verbose(1) << "Storing tecplot convex data in " << filenameConvex << "." << endl);
84 DoLog(1) && (Log() << Verbose(1) << "Storing tecplot non-convex data in " << filenameNonConvex << "." << endl);
85 LCList = new LinkedCell(mol, 100.);
86 //FindConvexBorder(mol, BoundaryPoints, TesselStruct, LCList, argv[argptr]);
87 // TODO: Beide Funktionen sollten streams anstelle des Filenamen benutzen, besser fuer unit tests
88 FindNonConvexBorder(mol, TesselStruct, LCList, 50., filenameNonConvex.c_str());
89 //RemoveAllBoundaryPoints(TesselStruct, mol, argv[argptr]);
90 const double volumedifference = ConvexizeNonconvexEnvelope(TesselStruct, mol, filenameConvex.c_str());
91 const double clustervolume = VolumeOfConvexEnvelope(TesselStruct, configuration);
92 DoLog(0) && (Log() << Verbose(0) << "The tesselated volume area is " << clustervolume << " " << (configuration->GetIsAngstroem() ? "angstrom" : "atomiclength") << "^3." << endl);
93 DoLog(0) && (Log() << Verbose(0) << "The non-convex tesselated volume area is " << clustervolume-volumedifference << " " << (configuration->GetIsAngstroem() ? "angstrom" : "atomiclength") << "^3." << endl);
94 delete(TesselStruct);
95 delete(LCList);
96 }
97 if (Success)
98 return Action::success;
99 else
100 return Action::failure;
101}
102
103Action::state_ptr TesselationConvexEnvelopeAction::performUndo(Action::state_ptr _state) {
104// TesselationConvexEnvelopeState *state = assert_cast<TesselationConvexEnvelopeState*>(_state.get());
105
106// string newName = state->mol->getName();
107// state->mol->setName(state->lastName);
108
109 return Action::failure;
110}
111
112Action::state_ptr TesselationConvexEnvelopeAction::performRedo(Action::state_ptr _state){
113 // Undo and redo have to do the same for this action
114 return performUndo(_state);
115}
116
117bool TesselationConvexEnvelopeAction::canUndo() {
118 return false;
119}
120
121bool TesselationConvexEnvelopeAction::shouldUndo() {
122 return false;
123}
124
125const string TesselationConvexEnvelopeAction::getName() {
126 return NAME;
127}
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