source: src/Filling/Predicates/IsVoidNode_FillPredicate.cpp@ 70f2a1

Action_Thermostats Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps
Last change on this file since 70f2a1 was 9eb71b3, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

Commented out MemDebug include and Memory::ignore.

  • MemDebug clashes with various allocation operators that use a specific placement in memory. It is so far not possible to wrap new/delete fully. Hence, we stop this effort which so far has forced us to put ever more includes (with clashes) into MemDebug and thereby bloat compilation time.
  • MemDebug does not add that much usefulness which is not also provided by valgrind.
  • Property mode set to 100644
File size: 3.1 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2012 University of Bonn. All rights reserved.
5 *
6 *
7 * This file is part of MoleCuilder.
8 *
9 * MoleCuilder is free software: you can redistribute it and/or modify
10 * it under the terms of the GNU General Public License as published by
11 * the Free Software Foundation, either version 2 of the License, or
12 * (at your option) any later version.
13 *
14 * MoleCuilder is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
17 * GNU General Public License for more details.
18 *
19 * You should have received a copy of the GNU General Public License
20 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
21 */
22
23/*
24 * IsVoidNode_FillPredicate.cpp
25 *
26 * Created on: Jan 16, 2012
27 * Author: heber
28 */
29
30// include config.h
31#ifdef HAVE_CONFIG_H
32#include <config.h>
33#endif
34
35//#include "CodePatterns/MemDebug.hpp"
36
37#include <boost/bind.hpp>
38
39#include "IsVoidNode_FillPredicate.hpp"
40
41#include "CodePatterns/Log.hpp"
42
43#include "Atom/TesselPoint.hpp"
44#include "LinkedCell/LinkedCell_View.hpp"
45#include "Shapes/ShapeOps.hpp"
46#include "Tesselation/tesselation.hpp"
47#include "World.hpp"
48
49#include "AnyFillPredicate.hpp"
50#include "FillPredicate.hpp"
51
52/** Checks whether a given node \a n in the domain is empty with respect to the
53 * given \a shape.
54 *
55 * @param LC View of a linked cell structure for finding neighbors quickly
56 * @param shape shape as a sort of placeholder
57 * @param n point where to center the placeholder
58 * @return true - placeholder at node contains no points,
59 * false - there is at least one point contained
60 */
61bool IsVoidNode(const LinkedCell::LinkedCell_View &LC, const Shape &shape, const Node &n)
62{
63 LOG(3, "DEBUG: Node is " << n << ".");
64 LOG(3, "DEBUG: Original shape is at " << shape.getCenter() << " with radius of "
65 << shape.getRadius() << ".");
66 const Shape shapeAtn = translate(shape, n);
67 LOG(3, "DEBUG: Translated shape is at " << shapeAtn.getCenter() << ".");
68 LinkedCell::LinkedList neighborlist = LC.getAllNeighbors(
69 shapeAtn.getRadius(), shapeAtn.getCenter());
70 LOG(3, "DEBUG: we have " << neighborlist.size() << " possible neighbors.");
71 LinkedCell::LinkedList::const_iterator neighboriter =
72 std::find_if(neighborlist.begin(), neighborlist.end(),
73 boost::bind(&Shape::isInside, shapeAtn,
74 boost::bind(&TesselPoint::getPosition, _1) ));
75 return neighboriter == neighborlist.end();
76}
77
78FillPredicate IsVoidNode_FillPredicate(const Shape &_shape)
79{
80 // copy _shape !
81 const LinkedCell::LinkedCell_View LC = World::getInstance().getLinkedCell(_shape.getRadius());
82 AnyFillPredicate::FillPredicator function = boost::bind(&IsVoidNode, LC, _shape, _1);
83 LOG(2, "DEBUG: Create IsVoidNode_FillPredicate from shape at "
84 << _shape.getCenter() << " and radius " << _shape.getRadius() << ".");
85 FillPredicate::impl_ptr impl(new AnyFillPredicate(function));
86 return FillPredicate(impl);
87}
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