source: src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp@ af2c424

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Last change on this file since af2c424 was af2c424, checked in by Frederik Heber <heber@…>, 14 years ago

LinkedCell constructor rewritten.

  • had to introduce getValue(iterator) to: molecule, tesselation, LinkedCell::LinkedNodes
  • LinkedCell::LinkedNodes is not a typedef anymore
  • new class LinkedCell::LinkedNodes derived from stl::list<TesselPoint *> to add getValue(iterator).
  • LinkedCell constructors changed:
    • use template for all classes that have begin(), end() and ... sigh ... getValue()
    • Argh! STL containers do all have begin() and end() but no consistent operator* (maps return pair<> ...)
    • specialized version for PointCloud derivatives
    • various functions had to be changed due to changed signature of LinkedCell constructor
  • Property mode set to 100644
File size: 3.0 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 * NonConvexEnvelopeAction.cpp
10 *
11 * Created on: May 10, 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 "boundary.hpp"
23#include "linkedcell.hpp"
24#include "Helpers/Log.hpp"
25#include "molecule.hpp"
26#include "tesselation.hpp"
27#include "Helpers/Verbose.hpp"
28#include "World.hpp"
29
30#include <iostream>
31#include <string>
32
33using namespace std;
34
35#include "Actions/TesselationAction/NonConvexEnvelopeAction.hpp"
36
37// and construct the stuff
38#include "NonConvexEnvelopeAction.def"
39#include "Action_impl_pre.hpp"
40/** =========== define the function ====================== */
41Action::state_ptr TesselationNonConvexEnvelopeAction::performCall() {
42 molecule * Boundary = NULL;
43 bool Success = false;
44 clock_t start,end;
45
46 // obtain information
47 getParametersfromValueStorage();
48
49 for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) {
50 Boundary = iter->second;
51 class Tesselation *T = NULL;
52 const LinkedCell *LCList = NULL;
53 DoLog(0) && (Log() << Verbose(0) << "Evaluating non-convex envelope of molecule." << Boundary->getId() << endl);
54 DoLog(1) && (Log() << Verbose(1) << "Using rolling ball of radius " << params.SphereRadius << " and storing tecplot data in " << params.filename << "." << endl);
55 DoLog(1) && (Log() << Verbose(1) << "Specified molecule has " << Boundary->getAtomCount() << " atoms." << endl);
56 start = clock();
57 LCList = new LinkedCell(*Boundary, params.SphereRadius*2.);
58 Success = FindNonConvexBorder(Boundary, T, LCList, params.SphereRadius, params.filename.c_str());
59 //FindDistributionOfEllipsoids(T, &LCList, N, number, params.filename.c_str());
60 end = clock();
61 DoLog(0) && (Log() << Verbose(0) << "Clocks for this operation: " << (end-start) << ", time: " << ((double)(end-start)/CLOCKS_PER_SEC) << "s." << endl);
62 delete(LCList);
63 delete(T);
64 }
65 if (Success)
66 return Action::success;
67 else
68 return Action::failure;
69}
70
71Action::state_ptr TesselationNonConvexEnvelopeAction::performUndo(Action::state_ptr _state) {
72// TesselationNonConvexEnvelopeState *state = assert_cast<TesselationNonConvexEnvelopeState*>(_state.get());
73
74// string newName = state->mol->getName();
75// state->mol->setName(state->lastName);
76
77 return Action::failure;
78}
79
80Action::state_ptr TesselationNonConvexEnvelopeAction::performRedo(Action::state_ptr _state){
81 // Undo and redo have to do the same for this action
82 return performUndo(_state);
83}
84
85bool TesselationNonConvexEnvelopeAction::canUndo() {
86 return false;
87}
88
89bool TesselationNonConvexEnvelopeAction::shouldUndo() {
90 return false;
91}
92
93const string TesselationNonConvexEnvelopeAction::getName() {
94 return NAME;
95}
96/** =========== end of function ====================== */
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