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:
1.5 KB
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Rev | Line | |
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[35ec9c] | 1 | /*
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| 2 | * Project: MoleCuilder
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| 3 | * Description: creates and alters molecular systems
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| 4 | * Copyright (C) 2012 University of Bonn. All rights reserved.
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| 5 | * Please see the COPYING file or "Copyright notice" in builder.cpp for details.
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| 6 | *
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| 7 | *
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| 8 | * This file is part of MoleCuilder.
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| 9 | *
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| 10 | * MoleCuilder is free software: you can redistribute it and/or modify
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| 11 | * it under the terms of the GNU General Public License as published by
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| 12 | * the Free Software Foundation, either version 2 of the License, or
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| 13 | * (at your option) any later version.
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| 14 | *
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| 15 | * MoleCuilder is distributed in the hope that it will be useful,
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| 16 | * but WITHOUT ANY WARRANTY; without even the implied warranty of
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| 17 | * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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| 18 | * GNU General Public License for more details.
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| 19 | *
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| 20 | * You should have received a copy of the GNU General Public License
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| 21 | * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
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| 22 | */
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| 23 |
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| 24 | /*
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| 25 | * ClusterInterface.cpp
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| 26 | *
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| 27 | * Created on: Oct 5, 2012
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| 28 | * Author: heber
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| 29 | */
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| 30 |
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| 31 |
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| 32 | // include config.h
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| 33 | #ifdef HAVE_CONFIG_H
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| 34 | #include <config.h>
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| 35 | #endif
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| 36 |
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[9eb71b3] | 37 | //#include "CodePatterns/MemDebug.hpp"
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[35ec9c] | 38 |
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| 39 | #include "ClusterInterface.hpp"
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| 40 |
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| 41 | #include <iostream>
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| 42 | #include "Atom/atom.hpp"
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| 43 | #include "AtomIdSet.hpp"
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| 44 |
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| 45 | std::ostream &operator<<(std::ostream &out, const ClusterInterface& cluster)
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| 46 | {
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| 47 | const AtomIdSet atoms = cluster.getAtoms();
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| 48 | for(AtomIdSet::const_iterator aiter = atoms.begin(); aiter != atoms.end(); ++aiter) {
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| 49 | out << "[" << (*aiter)->getId() << " " << (*aiter)->getPosition() << "]";
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| 50 | }
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| 51 | return out;
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| 52 | }
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