source: src/Bond/GraphEdge.cpp@ 37fe17

Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters StoppableMakroAction TremoloParser_IncreasedPrecision
Last change on this file since 37fe17 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: 1.9 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010-2012 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 * GraphEdge.cpp
25 *
26 * Created on: Feb 25, 2011
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 <string>
38
39#include "Bond/GraphEdge.hpp"
40#include "CodePatterns/Log.hpp"
41#include "CodePatterns/Verbose.hpp"
42
43GraphEdge::GraphEdge() :
44 Cyclic(false),
45 Type(Undetermined),
46 Used(white)
47{}
48
49GraphEdge::~GraphEdge()
50{}
51
52enum GraphEdge::Shading GraphEdge::IsUsed()
53{
54 return Used;
55};
56
57bool GraphEdge::MarkUsed(const enum GraphEdge::Shading color)
58{
59 if (Used == black) {
60 ELOG(1, "GraphEdge " << this << " was already marked black!.");
61 return false;
62 } else {
63 Used = color;
64 return true;
65 }
66};
67
68void GraphEdge::ResetUsed()
69{
70 Used = white;
71};
72
73std::string GraphEdge::getColorName(enum Shading color)
74{
75 switch (color) {
76 case white:
77 return "white";
78 break;
79 case lightgray:
80 return "lightgray";
81 break;
82 case darkgray:
83 return "darkgray";
84 break;
85 case black:
86 return "black";
87 break;
88 default:
89 return "uncolored";
90 break;
91 };
92}
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