Changes in / [b8d15ba:13e3c3]


Ignore:
Location:
src
Files:
252 edited

Legend:

Unmodified
Added
Removed

  • src/Actions/Action.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/ActionHistory.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/ActionRegistry.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/ActionSequence.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/AnalysisAction/MolecularVolumeAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/AnalysisAction/MolecularVolumeAction.hpp

    rb8d15ba r13e3c3  
    88#ifndef MOLECULARVOLUMEACTION_HPP_
    99#define MOLECULARVOLUMEACTION_HPP_
     10
     11// include config.h
     12#ifdef HAVE_CONFIG_H
     13#include <config.h>
     14#endif
    1015
    1116#include "Actions/Action.hpp"

  • src/Actions/AnalysisAction/PairCorrelationAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/AnalysisAction/PairCorrelationAction.hpp

    rb8d15ba r13e3c3  
    88#ifndef PAIRCORRELATIONACTION_HPP_
    99#define PAIRCORRELATIONACTION_HPP_
     10
     11// include config.h
     12#ifdef HAVE_CONFIG_H
     13#include <config.h>
     14#endif
    1015
    1116#include "Actions/Action.hpp"

  • src/Actions/AnalysisAction/PointCorrelationAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/AnalysisAction/PointCorrelationAction.hpp

    rb8d15ba r13e3c3  
    88#ifndef POINTCORRELATIONACTION_HPP_
    99#define POINTCORRELATIONACTION_HPP_
     10
     11// include config.h
     12#ifdef HAVE_CONFIG_H
     13#include <config.h>
     14#endif
    1015
    1116#include "Actions/Action.hpp"

  • src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/AtomAction/AddAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/AtomAction/ChangeElementAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/AtomAction/RemoveAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/AtomAction/RotateAroundOriginByAngleAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/AtomAction/TranslateAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/CmdAction/BondLengthTableAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/CmdAction/ElementDbAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/CmdAction/FastParsingAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/CmdAction/HelpAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/CmdAction/VerboseAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/CmdAction/VersionAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/ErrorAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/FragmentationAction/DepthFirstSearchAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/FragmentationAction/FragmentationAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/FragmentationAction/SubgraphDissectionAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/MakroAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/ManipulateAtomsProcess.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/MapOfActions.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/MethodAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/MoleculeAction/BondFileAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/MoleculeAction/ChangeNameAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/MoleculeAction/FillWithMoleculeAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/MoleculeAction/SaveAdjacencyAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/MoleculeAction/SaveBondsAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/MoleculeAction/SaveTemperatureAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/MoleculeAction/SuspendInWaterAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/MoleculeAction/VerletIntegrationAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/ParserAction/LoadXyzAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/ParserAction/SaveXyzAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/Process.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/SelectionAction/AllAtomsAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/SelectionAction/AllAtomsInsideCuboidAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/SelectionAction/AllAtomsInsideSphereAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/SelectionAction/AllAtomsOfMoleculeAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/SelectionAction/AllMoleculesAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/SelectionAction/AtomByIdAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/SelectionAction/ClearAllAtomsAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/SelectionAction/ClearAllMoleculesAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/SelectionAction/MoleculeByIdAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/SelectionAction/MoleculeOfAtomAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/SelectionAction/NotAllAtomsAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/SelectionAction/NotAllAtomsInsideCuboidAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/SelectionAction/NotAllAtomsInsideSphereAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/SelectionAction/NotAllAtomsOfMoleculeAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/SelectionAction/NotAllMoleculesAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/SelectionAction/NotAtomByIdAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/SelectionAction/NotMoleculeByIdAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/SelectionAction/NotMoleculeOfAtomAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/TesselationAction/ConvexEnvelopeAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/ValueStorage.cpp

    rb8d15ba r13e3c3  
    66 */
    77
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    814
    915#include "ValueStorage.hpp"

  • src/Actions/WorldAction/AddEmptyBoundaryAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/WorldAction/BoundInBoxAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/WorldAction/CenterInBoxAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/WorldAction/CenterOnEdgeAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/WorldAction/ChangeBoxAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/WorldAction/InputAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/WorldAction/OutputAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/WorldAction/RepeatBoxAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/WorldAction/ScaleBoxAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/WorldAction/SetDefaultNameAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/WorldAction/SetGaussianBasisAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Actions/WorldAction/SetOutputFormatsAction.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/BoundaryLineSet.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "BoundaryLineSet.hpp"

  • src/BoundaryMaps.hpp

    rb8d15ba r13e3c3  
    2222typedef std::map <int, int> IndexToIndex;
    2323
     24// ============= TesselPoint maps ======================== //
     25typedef std::pair < double, class TesselPoint * > TesselPointDistancePair;
     26typedef std::multimap < double, class TesselPoint * > TesselPointDistanceMap;
     27typedef std::pair < TesselPointDistanceMap::iterator, bool > TesselPointDistanceTestPair;
     28
     29typedef std::list <TesselPoint *> TesselPointList;
     30typedef std::set <TesselPoint *> TesselPointSet;
     31
     32typedef std::list<std::list <TesselPoint *> *> ListOfTesselPointList;
     33
     34// ============= BoundaryPointSet maps ======================== //
    2435typedef std::map < int, class BoundaryPointSet * > PointMap;
    2536typedef std::set < class BoundaryPointSet * > PointSet;
    … …  
    2839typedef std::pair < PointMap::iterator, bool > PointTestPair;
    2940
    30 typedef std::list <class CandidateForTesselation *> CandidateList;
    31 typedef std::map <class BoundaryLineSet *, class CandidateForTesselation *> CandidateMap;
     41typedef std::multimap <double, class BoundaryPointSet * > DistanceToPointMap;
     42typedef std::pair <double, class BoundaryPointSet * > DistanceToPointPair;
    3243
     44// ============= BoundaryLineSet maps ======================== //
    3345typedef std::multimap < int, class BoundaryLineSet * > LineMap;
    3446typedef std::set < class BoundaryLineSet * > LineSet;
    … …  
    3749typedef std::pair < LineMap::iterator, bool > LineTestPair;
    3850
     51// ============= BoundaryTriangleSet maps ======================== //
    3952typedef std::map < int, class BoundaryTriangleSet * > TriangleMap;
    4053typedef std::set < class BoundaryTriangleSet * > TriangleSet;
    … …  
    4356typedef std::pair < TriangleMap::iterator, bool > TriangleTestPair;
    4457
     58// ============= BoundaryPolygonSet maps ======================== //
    4559typedef std::map < int, class BoundaryPolygonSet * > PolygonMap;
    4660typedef std::set < class BoundaryPolygonSet * > PolygonSet;
    4761typedef std::list < class BoundaryPolygonSet * > PolygonList;
    4862
    49 typedef std::multimap <double, class BoundaryPointSet * > DistanceToPointMap;
    50 typedef std::pair <double, class BoundaryPointSet * > DistanceToPointPair;
     63// ============= CandidateForTesselation maps ======================== //
     64typedef std::list <class CandidateForTesselation *> CandidateList;
     65typedef std::map <class BoundaryLineSet *, class CandidateForTesselation *> CandidateMap;
     66
     67// ============= Various maps ======================== //
     68typedef std::map <double, TesselPointDistancePair > Boundaries;
     69typedef std::pair<double, TesselPointDistancePair > BoundariesPair;
     70typedef std::pair< Boundaries::iterator, bool> BoundariesTestPair;
    5171
    5272typedef std::multimap <double, std::pair < PointMap::iterator, PointMap::iterator> > DistanceMultiMap;
    5373typedef std::pair <double, std::pair < PointMap::iterator, PointMap::iterator> > DistanceMultiMapPair;
    54 
    55 typedef std::list <TesselPoint *> TesselPointList;
    56 typedef std::set <TesselPoint *> TesselPointSet;
    57 
    58 typedef std::list<std::list <TesselPoint *> *> ListOfTesselPointList;
    5974
    6075enum centers {Opt, OtherOpt};

  • src/BoundaryPointSet.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "BoundaryPointSet.hpp"

  • src/BoundaryPolygonSet.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "BoundaryPolygonSet.hpp"

  • src/BoundaryTriangleSet.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "BoundaryTriangleSet.hpp"

  • src/Box.cpp

    rb8d15ba r13e3c3  
    66 */
    77
    8 //#include "Helpers/MemDebug.hpp"
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    914
    1015#include "Box.hpp"

  • src/CandidateForTesselation.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "CandidateForTesselation.hpp"

  • src/CommandLineParser.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/ConfigFileBuffer.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "ConfigFileBuffer.hpp"

  • src/Descriptors/AtomDescriptor.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Descriptors/AtomIdDescriptor.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Descriptors/AtomSelectionDescriptor.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "Descriptors/AtomSelectionDescriptor.hpp"

  • src/Descriptors/AtomShapeDescriptor.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Descriptors/AtomTypeDescriptor.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Descriptors/MoleculeDescriptor.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Descriptors/MoleculeFormulaDescriptor.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "MoleculeFormulaDescriptor.hpp"

  • src/Descriptors/MoleculeIdDescriptor.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Descriptors/MoleculeNameDescriptor.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "MoleculeNameDescriptor.hpp"

  • src/Descriptors/MoleculePtrDescriptor.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Descriptors/MoleculeSelectionDescriptor.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "Descriptors/MoleculeSelectionDescriptor.hpp"

  • src/Exceptions/CustomException.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Exceptions/IllegalTypeException.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "IllegalTypeException.hpp"

  • src/Exceptions/LinearDependenceException.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Exceptions/MathException.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Exceptions/MissingValueException.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "MissingValueException.hpp"

  • src/Exceptions/NotInvertibleException.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "NotInvertibleException.hpp"

  • src/Exceptions/ParseError.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "ParseError.hpp"

  • src/Exceptions/SkewException.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Exceptions/ZeroVectorException.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Formula.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "Formula.hpp"

  • src/Helpers/Assert.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "Helpers/Assert.hpp"

  • src/Helpers/Info.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Helpers/Log.cpp

    rb8d15ba r13e3c3  
    55 *      Author: metzler
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Helpers/Makefile.am

    rb8d15ba r13e3c3  
    7272        echo "" >  unity.cpp; \
    7373        list='$(HELPERSSOURCE)'; for file in $$list; do \
    74           echo "#include \"$(srcdir)/$$file\"" >> unity.cpp; \
     74          if [ "$$file" != "MemDebug.cpp" ]; then \
     75                  echo "#include \"$(srcdir)/$$file\"" >> unity.cpp; \
     76                fi; \
    7577        done;
    7678       

  • src/Helpers/MemDebug.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813// NDEBUG implies NO_MEMDEBUG

  • src/Helpers/Verbose.cpp

    rb8d15ba r13e3c3  
    1 using namespace std;
     1/** \file Verbose.cpp
     2 *
     3 * Function implementations for the class Verbose.
     4 *
     5 */
     6
     7// include config.h
     8#ifdef HAVE_CONFIG_H
     9#include <config.h>
     10#endif
    211
    312#include "Helpers/MemDebug.hpp"
    … …  
    615#include "Helpers/Verbose.hpp"
    716#include <iostream>
     17
     18using namespace std;
    819
    920/** Prints the tabs according to verbosity stored in the temporary constructed class.

  • src/Helpers/errorlogger.cpp

    rb8d15ba r13e3c3  
    55 *      Author: metzler
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Helpers/helpers.cpp

    rb8d15ba r13e3c3  
    33 * Implementation of some auxiliary functions for memory dis-/allocation and so on
    44 */
     5
     6// include config.h
     7#ifdef HAVE_CONFIG_H
     8#include <config.h>
     9#endif
    510
    611#include "Helpers/MemDebug.hpp"

  • src/Helpers/logger.cpp

    rb8d15ba r13e3c3  
    55 *      Author: metzler
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/LinearAlgebra/Line.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/LinearAlgebra/Matrix.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "LinearAlgebra/Matrix.hpp"

  • src/LinearAlgebra/Plane.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/LinearAlgebra/Space.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/LinearAlgebra/Vector.cpp

    rb8d15ba r13e3c3  
    44 *
    55 */
     6
     7// include config.h
     8#ifdef HAVE_CONFIG_H
     9#include <config.h>
     10#endif
    611
    712#include "Helpers/MemDebug.hpp"

  • src/LinearAlgebra/VectorInterface.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "VectorInterface.hpp"

  • src/LinearAlgebra/gslmatrix.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/LinearAlgebra/gslvector.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/LinearAlgebra/linearsystemofequations.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/LinearAlgebra/vector_ops.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Makefile.am

    rb8d15ba r13e3c3  
    379379
    380380unity.cpp: ${MOLECUILDERSOURCE} ${MOLECUILDERHEADER}
    381         echo "" >  unity.cpp; \
     381        echo "#include \"$(srcdir)/Helpers/MemDebug.cpp\"" >  unity.cpp; \
    382382        list='$(MOLECUILDERSOURCE)'; for file in $$list; do \
    383           echo "#include \"$(srcdir)/$$file\"" >> unity.cpp; \
     383        echo "#include \"$(srcdir)/$$file\"" >> unity.cpp; \
    384384        done; \
    385385        subdirs='$(SUBDIRS)';for directory in $$subdirs; do\

  • src/Parser/ChangeTracker.cpp

    rb8d15ba r13e3c3  
    66 */
    77
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
    813#include "Helpers/MemDebug.hpp"
     14
    915#include "Parser/ChangeTracker.hpp"
    1016#include "Patterns/Singleton_impl.hpp"

  • src/Parser/FormatParser.cpp

    rb8d15ba r13e3c3  
    55 *      Author: metzler
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Parser/FormatParserStorage.cpp

    rb8d15ba r13e3c3  
    55 *
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include <iostream>

  • src/Parser/MpqcParser.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "MpqcParser.hpp"

  • src/Parser/PcpParser.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include <iostream>

  • src/Parser/TremoloParser.cpp

    rb8d15ba r13e3c3  
    55 *      Author: metzler
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Parser/XyzParser.cpp

    rb8d15ba r13e3c3  
    55 *      Author: metzler
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/Patterns/Observer.cpp

    rb8d15ba r13e3c3  
    66 */
    77
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
    813#include "Helpers/MemDebug.hpp"
    914
    1015#include "Observer.hpp"
    11 
    1216
    1317#include <iostream>

  • src/PointCloud.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "PointCloud.hpp"

  • src/Shapes/BaseShapes.cpp

    rb8d15ba r13e3c3  
    66 */
    77
    8 #include "Helpers/Assert.hpp"
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
     14
    915#include "Shapes/BaseShapes.hpp"
    1016#include "Shapes/BaseShapes_impl.hpp"
    … …  
    1218#include <cmath>
    1319
     20#include "Helpers/Assert.hpp"
    1421#include "LinearAlgebra/Vector.hpp"
    1522

  • src/Shapes/Shape.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "Shape.hpp"

  • src/Shapes/ShapeOps.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "Shapes/ShapeOps.hpp"

  • src/TesselPoint.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "TesselPoint.hpp"

  • src/ThermoStatContainer.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include <cstring>

  • src/UIElements/CommandLineUI/CommandLineDialog.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/UIElements/CommandLineUI/CommandLineStatusIndicator.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/UIElements/CommandLineUI/CommandLineUIFactory.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/UIElements/CommandLineUI/CommandLineWindow.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/UIElements/Dialog.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/UIElements/MainWindow.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/UIElements/Menu/ActionMenuItem.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/UIElements/Menu/DisplayMenuItem.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/UIElements/Menu/Menu.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/UIElements/Menu/MenuItem.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/UIElements/Menu/QT4/QTMenu.cpp

    rb8d15ba r13e3c3  
    66 */
    77
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
    813#include "Menu/QT4/QTMenu.hpp"
    914
    1015#include <Qt/qaction.h>
     16
     17#include "Helpers/MemDebug.hpp"
     18
    1119#include "Menu/MenuItem.hpp"
    1220

  • src/UIElements/Menu/SeperatorItem.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/UIElements/Menu/SubMenuItem.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/UIElements/Menu/TextMenu.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/UIElements/QT4/QTDialog.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "UIElements/QT4/QTDialog.hpp"

  • src/UIElements/QT4/QTMainWindow.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "QTMainWindow.hpp"
    … …  
    1924#include<boost/bind.hpp>
    2025
     26#include "Helpers/MemDebug.hpp"
     27
    2128#include "atom.hpp"
    2229#include "molecule.hpp"
    … …  
    3239#include "Views/QT4/QTMoleculeView.hpp"
    3340#include "Views/QT4/QTStatusBar.hpp"
    34 #include "Helpers/MemDebug.hpp"
    35 
    3641
    3742using namespace std;

  • src/UIElements/QT4/QTUIFactory.cpp

    rb8d15ba r13e3c3  
    66 */
    77
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
    813#include <iostream>
    914#include <cassert>
    1015
    11 using namespace std;
     16#include <qapplication.h>
    1217
    13 #include <qapplication.h>
    1418
    1519#include "UIElements/QT4/QTUIFactory.hpp"
    1620#include "UIElements/QT4/QTMainWindow.hpp"
    1721#include "UIElements/QT4/QTDialog.hpp"
     22
     23#include "Helpers/MemDebug.hpp"
     24
    1825#include "version.h"
    1926#include "defs.hpp"
    20 #include "Helpers/MemDebug.hpp"
     27
     28using namespace std;
    2129
    2230QTUIFactory::QTUIFactory() :

  • src/UIElements/TextUI/TextDialog.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/UIElements/TextUI/TextStatusIndicator.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/UIElements/TextUI/TextUIFactory.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "UIElements/TextUI/TextUIFactory.hpp"

  • src/UIElements/TextUI/TextWindow.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/UIElements/UIFactory.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/UIElements/Views/MethodStringView.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/UIElements/Views/QT4/GLMoleculeView.cpp

    rb8d15ba r13e3c3  
    66 */
    77
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
    813#include "GLMoleculeView.hpp"
     14
     15#include "Helpers/MemDebug.hpp"
    916
    1017GLMoleculeView::GLMoleculeView(QWidget *parent) :

  • src/UIElements/Views/QT4/QTMoleculeView.cpp

    rb8d15ba r13e3c3  
    66 */
    77
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
    813#include "Views/QT4/QTMoleculeView.hpp"
    914
    1015#include <iostream>
     16
     17#include "Helpers/MemDebug.hpp"
     18
    1119#include "molecule.hpp"
    12 
    1320
    1421using namespace std;

  • src/UIElements/Views/QT4/QTStatusBar.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include <sstream>
    … …  
    1318
    1419#include "QTStatusBar.hpp"
     20
     21#include "Helpers/MemDebug.hpp"
     22
    1523#include "World.hpp"
    1624#include "Helpers/helpers.hpp"

  • src/UIElements/Views/QT4/QTWorldView.cpp

    rb8d15ba r13e3c3  
    66 */
    77
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
    813#include "Views/QT4/QTWorldView.hpp"
    914
    1015#include <iostream>
    1116
     17#include "Helpers/MemDebug.hpp"
     18
    1219#include "atom.hpp"
     20#include "Formula.hpp"
    1321#include "molecule.hpp"
    1422
    … …  
    2028// these attributes are skiped so far
    2129const int QTWorldView::COLUMNCOUNT = COLUMNTYPES_MAX;
    22 const char *QTWorldView::COLUMNNAMES[QTWorldView::COLUMNCOUNT]={"Name","Atoms"/*,"Formula"*//*,"Size"*/};
     30const char *QTWorldView::COLUMNNAMES[QTWorldView::COLUMNCOUNT]={"Name","Atoms","Formula"/*,"Size"*/};
    2331
    2432QTWorldView::QTWorldView(QWidget * _parent) :
    … …  
    6169    const int index = (*iter)->IndexNr;
    6270    QTableWidgetItem *indexWidget = new QTableWidgetItem();
    63     // there probably is an easier method to convert ints to QStrings... but i didn't find it
    64     stringstream idxsstr;
    65     idxsstr << index;
    66     indexWidget->setText(QString(idxsstr.str().c_str()));
     71    indexWidget->setText(QString::number(index));
    6772    indexWidget->setData(Qt::UserRole,QVariant(index));
    6873    setVerticalHeaderItem(i,indexWidget);
    … …  
    7580    const int atomCount = (*iter)->getAtomCount();
    7681    QTableWidgetItem *countWidget= new QTableWidgetItem();
    77     stringstream countsstr;
    78     countsstr << atomCount;
    79     countWidget->setText(QString(countsstr.str().c_str()));
     82    countWidget->setText(QString::number(atomCount));
    8083    countWidget->setFlags(Qt::ItemIsSelectable | Qt::ItemIsUserCheckable | Qt::ItemIsEnabled);
    8184    setItem(i,ATOMS,countWidget);
     85
     86    const Formula formula = (*iter)->getFormula();
     87    QTableWidgetItem *formulaWidget= new QTableWidgetItem();
     88    formulaWidget->setText(QString(formula.toString().c_str()));
     89    formulaWidget->setFlags(Qt::ItemIsSelectable | Qt::ItemIsUserCheckable | Qt::ItemIsEnabled);
     90    setItem(i,ATOMS,formulaWidget);
    8291
    8392    molSelection[i]=nameWidget->isSelected();

  • src/UIElements/Views/QT4/QTWorldView.hpp

    rb8d15ba r13e3c3  
    2828
    2929  static const int COLUMNCOUNT;
    30   enum {NAME,ATOMS,COLUMNTYPES_MAX} COLUMNTYPES;
     30  enum {NAME,ATOMS,FORMULA,COLUMNTYPES_MAX} COLUMNTYPES;
    3131  static const char *COLUMNNAMES[];
    3232

  • src/UIElements/Views/StreamStringView.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/UIElements/Views/StringView.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/UIElements/Views/View.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/World.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/analysis_bonds.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/analysis_correlation.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/analyzer.cpp

    rb8d15ba r13e3c3  
    88//============================ INCLUDES ===========================
    99
     10// include config.h
     11#ifdef HAVE_CONFIG_H
     12#include <config.h>
     13#endif
     14
    1015#include "Helpers/MemDebug.hpp"
    1116
    … …  
    1722#include "periodentafel.hpp"
    1823#include "Helpers/Verbose.hpp"
    19 
    20 // include config.h
    21 #ifdef HAVE_CONFIG_H
    22 #include <config.h>
    23 #endif
    24 
    2524
    2625//============================== MAIN =============================

  • src/atom.cpp

    rb8d15ba r13e3c3  
    44 *
    55 */
     6
     7// include config.h
     8#ifdef HAVE_CONFIG_H
     9#include <config.h>
     10#endif
    611
    712#include "Helpers/MemDebug.hpp"

  • src/atom_atominfo.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/atom_bondedparticle.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/atom_bondedparticleinfo.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/atom_graphnode.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/atom_graphnodeinfo.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/atom_particleinfo.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/atom_trajectoryparticle.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/atom_trajectoryparticleinfo.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/bond.cpp

    rb8d15ba r13e3c3  
    44 *
    55 */
     6
     7// include config.h
     8#ifdef HAVE_CONFIG_H
     9#include <config.h>
     10#endif
    611
    712#include "Helpers/MemDebug.hpp"

  • src/bondgraph.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/boundary.cpp

    rb8d15ba r13e3c3  
    33 * Implementations and super-function for envelopes
    44 */
     5
     6// include config.h
     7#ifdef HAVE_CONFIG_H
     8#include <config.h>
     9#endif
    510
    611#include "Helpers/MemDebug.hpp"
    … …  
    193198      }
    194199    DoLog(1) && (Log() << Verbose(1) << "Inserting " << **iter << ": (r, alpha) = (" << radius << "," << angle << "): " << ProjectedVector << endl);
    195       BoundaryTestPair = BoundaryPoints[axis].insert(BoundariesPair(angle, DistancePair (radius, (*iter))));
     200      BoundaryTestPair = BoundaryPoints[axis].insert(BoundariesPair(angle, TesselPointDistancePair (radius, (*iter))));
    196201      if (!BoundaryTestPair.second) { // same point exists, check first r, then distance of original vectors to center of gravity
    197202        DoLog(2) && (Log() << Verbose(2) << "Encountered two vectors whose projection onto axis " << axis << " is equal: " << endl);

  • src/boundary.hpp

    rb8d15ba r13e3c3  
    11#ifndef BOUNDARY_HPP_
    22#define BOUNDARY_HPP_
    3 
    4 using namespace std;
    53
    64/*********************************************** includes ***********************************/
    … …  
    1816
    1917#include "defs.hpp"
     18#include "BoundaryMaps.hpp"
    2019
    2120/****************************************** forward declarations *****************************/
    2221
    23 class atom;
    2422class BoundaryPointSet;
    2523class BoundaryLineSet;
    … …  
    3028class MoleculeListClass;
    3129class Tesselation;
     30class TesselPoint;
    3231class Vector;
    3332
    … …  
    3837enum { SingleStepWidth=10 };
    3938
    40 typedef std::pair < double, class atom* > DistancePair;
    41 typedef std::multimap < double, class atom* > DistanceMap;
    42 typedef std::pair < DistanceMap::iterator, bool> DistanceTestPair;
    43 
    44 typedef std::map <double, DistancePair > Boundaries;
    45 typedef std::pair<double, DistancePair > BoundariesPair;
    46 typedef std::pair< Boundaries::iterator, bool> BoundariesTestPair;
    47 
    4839/********************************************** declarations *******************************/
    4940
    … …  
    5243void FindConvexBorder(const molecule* const mol, Boundaries *BoundaryPts, Tesselation *&TesselStruct, const LinkedCell *LCList, const char *filename);
    5344Vector* FindEmbeddingHole(MoleculeListClass *mols, molecule *srcmol);
    54 void FindNextSuitablePoint(class BoundaryTriangleSet *BaseTriangle, class BoundaryLineSet *BaseLine, atom*& OptCandidate, Vector *OptCandidateCenter, double *ShortestAngle, const double RADIUS, LinkedCell *LC);
    5545bool FindNonConvexBorder(const molecule* const mol, Tesselation *&TesselStruct, const LinkedCell *&LC, const double RADIUS, const char *tempbasename);
    5646Boundaries *GetBoundaryPoints(const molecule *mol, Tesselation *&TesselStruct);

  • src/builder.cpp

    rb8d15ba r13e3c3  
    5353 *
    5454 */
     55
     56// include config.h
     57#ifdef HAVE_CONFIG_H
     58#include <config.h>
     59#endif
    5560
    5661#include "Helpers/MemDebug.hpp"

  • src/config.cpp

    rb8d15ba r13e3c3  
    44 *
    55 */
     6
     7// include config.h
     8#ifdef HAVE_CONFIG_H
     9#include <config.h>
     10#endif
    611
    712#include "Helpers/MemDebug.hpp"

  • src/datacreator.cpp

    rb8d15ba r13e3c3  
    66
    77//============================ INCLUDES ===========================
     8
     9// include config.h
     10#ifdef HAVE_CONFIG_H
     11#include <config.h>
     12#endif
    813
    914#include "Helpers/MemDebug.hpp"

  • src/defs.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
     12
     13#include "Helpers/MemDebug.hpp"
    714
    815#include "defs.hpp"

  • src/element.cpp

    rb8d15ba r13e3c3  
    44 *
    55 */
     6
     7// include config.h
     8#ifdef HAVE_CONFIG_H
     9#include <config.h>
     10#endif
    611
    712#include "Helpers/MemDebug.hpp"

  • src/elements_db.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/ellipsoid.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/graph.cpp

    rb8d15ba r13e3c3  
    44 *
    55 */
     6
     7// include config.h
     8#ifdef HAVE_CONFIG_H
     9#include <config.h>
     10#endif
    611
    712#include "Helpers/MemDebug.hpp"

  • src/joiner.cpp

    rb8d15ba r13e3c3  
    77
    88//============================ INCLUDES ===========================
     9
     10// include config.h
     11#ifdef HAVE_CONFIG_H
     12#include <config.h>
     13#endif
    914
    1015#include "Helpers/MemDebug.hpp"

  • src/leastsquaremin.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/linkedcell.cpp

    rb8d15ba r13e3c3  
    44 *
    55 */
     6
     7// include config.h
     8#ifdef HAVE_CONFIG_H
     9#include <config.h>
     10#endif
    611
    712#include "Helpers/MemDebug.hpp"
    … …  
    2328LinkedCell::LinkedCell() :
    2429  LC(NULL),
    25   index(-1),
    26   RADIUS(0.)
     30  RADIUS(0.),
     31  index(-1)
    2732{
    2833  for(int i=0;i<NDIM;i++)
    … …  
    3742 */
    3843LinkedCell::LinkedCell(const PointCloud * const set, const double radius) :
     44  LC(NULL),
    3945  RADIUS(radius),
    40   LC(NULL),
    4146  index(-1)
    4247{
    … …  
    113118 */
    114119LinkedCell::LinkedCell(LinkedNodes *set, const double radius) :
     120  LC(NULL),
    115121  RADIUS(radius),
    116   LC(NULL),
    117122  index(-1)
    118123{

  • src/molecule.cpp

    rb8d15ba r13e3c3  
    55 */
    66
     7// include config.h
    78#ifdef HAVE_CONFIG_H
    89#include <config.h>

  • src/molecule_dynamics.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/molecule_fragmentation.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/molecule_geometry.cpp

    rb8d15ba r13e3c3  
    66 */
    77
     8// include config.h
    89#ifdef HAVE_CONFIG_H
    910#include <config.h>
    1011#endif
    1112
     13#include "Helpers/MemDebug.hpp"
     14
    1215#include "Helpers/helpers.hpp"
    1316#include "Helpers/Log.hpp"
    14 #include "Helpers/MemDebug.hpp"
    1517#include "Helpers/Verbose.hpp"
    1618#include "LinearAlgebra/Line.hpp"

  • src/molecule_graph.cpp

    rb8d15ba r13e3c3  
    66 */
    77
     8// include config.h
    89#ifdef HAVE_CONFIG_H
    910#include <config.h>

  • src/molecule_pointcloud.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/moleculelist.cpp

    rb8d15ba r13e3c3  
    55 */
    66
     7// include config.h
    78#ifdef HAVE_CONFIG_H
    89#include <config.h>
    … …  
    4445MoleculeListClass::MoleculeListClass(World *_world) :
    4546  Observable("MoleculeListClass"),
    46   world(_world),
    47   MaxIndex(1)
     47  MaxIndex(1),
     48  world(_world)
    4849{};
    4950

  • src/parser.cpp

    rb8d15ba r13e3c3  
    77// ======================================= INCLUDES ==========================================
    88
    9 #include "Helpers/MemDebug.hpp"
    10 
    11 #include <cstring>
    12 
    13 #include "Helpers/helpers.hpp"
    14 #include "parser.hpp"
    15 #include "Helpers/Verbose.hpp"
    16 
    179// include config.h
    1810#ifdef HAVE_CONFIG_H
    1911#include <config.h>
    2012#endif
     13
     14#include "Helpers/MemDebug.hpp"
     15
     16#include <cstring>
     17
     18#include "Helpers/helpers.hpp"
     19#include "parser.hpp"
     20#include "Helpers/Verbose.hpp"
    2121
    2222// ======================================= FUNCTIONS ==========================================

  • src/periodentafel.cpp

    rb8d15ba r13e3c3  
    55 */
    66
     7// include config.h
     8#ifdef HAVE_CONFIG_H
     9#include <config.h>
     10#endif
     11
    712#include "Helpers/MemDebug.hpp"
    8 
    9 using namespace std;
    1013
    1114#include <iomanip>

  • src/tesselation.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/tesselationhelpers.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "Helpers/MemDebug.hpp"

  • src/triangleintersectionlist.cpp

    rb8d15ba r13e3c3  
    88 *      Author: heber
    99 */
     10
     11// include config.h
     12#ifdef HAVE_CONFIG_H
     13#include <config.h>
     14#endif
    1015
    1116#include "Helpers/MemDebug.hpp"

  • src/unittests/ActOnAllUnitTest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: FrederikHeber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813using namespace std;

  • src/unittests/ActionSequenceTest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include <cppunit/CompilerOutputter.h>

  • src/unittests/AnalysisCorrelationToPointUnitTest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813using namespace std;

  • src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813using namespace std;

  • src/unittests/AnalysisPairCorrelationUnitTest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813using namespace std;

  • src/unittests/AtomDescriptorTest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "AtomDescriptorTest.hpp"

  • src/unittests/BoxUnittest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "BoxUnittest.hpp"

  • src/unittests/CacheableTest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "CacheableTest.hpp"

  • src/unittests/CountBondsUnitTest.cpp

    rb8d15ba r13e3c3  
    66 */
    77
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    812
    913using namespace std;

  • src/unittests/FormulaUnittest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "FormulaUnittest.hpp"

  • src/unittests/LineUnittest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "LineUnittest.hpp"

  • src/unittests/LinkedCellUnitTest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813using namespace std;

  • src/unittests/MapofActionsTest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813using namespace std;

  • src/unittests/MatrixUnittest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include <cppunit/CompilerOutputter.h>

  • src/unittests/MoleculeDescriptorTest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "MoleculeDescriptorTest.hpp"

  • src/unittests/ObserverTest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "ObserverTest.hpp"

  • src/unittests/ParserUnitTest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: metzler
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "ParserUnitTest.hpp"

  • src/unittests/PlaneUnittest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "PlaneUnittest.hpp"

  • src/unittests/ShapeUnittest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "ShapeUnittest.hpp"

  • src/unittests/SingletonTest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "SingletonTest.hpp"

  • src/unittests/analysisbondsunittest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813using namespace std;

  • src/unittests/atomsCalculationTest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "atomsCalculationTest.hpp"

  • src/unittests/bondgraphunittest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813using namespace std;

  • src/unittests/gslmatrixsymmetricunittest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813using namespace std;

  • src/unittests/gslmatrixunittest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813using namespace std;

  • src/unittests/gslvectorunittest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813using namespace std;

  • src/unittests/infounittest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813using namespace std;

  • src/unittests/linearsystemofequationsunittest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813using namespace std;

  • src/unittests/listofbondsunittest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: user
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813using namespace std;

  • src/unittests/logunittest.cpp

    rb8d15ba r13e3c3  
    33 */
    44
     5
     6// include config.h
     7#ifdef HAVE_CONFIG_H
     8#include <config.h>
     9#endif
    510
    611using namespace std;

  • src/unittests/manipulateAtomsTest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: crueger
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813#include "manipulateAtomsTest.hpp"

  • src/unittests/memoryallocatorunittest.cpp

    rb8d15ba r13e3c3  
    11/*
    22 * memoryallocatorunittest.cpp
     3 *
    34 */
    45
     6
     7// include config.h
     8#ifdef HAVE_CONFIG_H
     9#include <config.h>
     10#endif
    511
    612using namespace std;

  • src/unittests/memoryusageobserverunittest.cpp

    rb8d15ba r13e3c3  
    33 */
    44
     5
     6// include config.h
     7#ifdef HAVE_CONFIG_H
     8#include <config.h>
     9#endif
    510
    611using namespace std;

  • src/unittests/periodentafelTest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813using namespace std;

  • src/unittests/stackclassunittest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813using namespace std;

  • src/unittests/tesselation_boundarytriangleunittest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813using namespace std;

  • src/unittests/tesselation_insideoutsideunittest.cpp

    rb8d15ba r13e3c3  
    55 *      Author: heber
    66 */
     7
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    712
    813using namespace std;

  • src/unittests/tesselationunittest.cpp

    rb8d15ba r13e3c3  
    66 */
    77
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    812
    913using namespace std;

  • src/unittests/vectorunittest.cpp

    rb8d15ba r13e3c3  
    66 */
    77
     8// include config.h
     9#ifdef HAVE_CONFIG_H
     10#include <config.h>
     11#endif
    812
    913using namespace std;
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