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Job.h

Go to the documentation of this file.

#ifndef JobH
#define JobH

/*******************************************************************************
Copyright 2002,2003 Petr Kulhanek

    This file is part of Core plugin.

    Core plugin is free software; you can redistribute it and/or modify
    it under the terms of the GNU General Public License as published by
    the Free Software Foundation; either version 2 of the License, or
    (at your option) any later version.

    Core plugin is distributed in the hope that it will be useful,
    but WITHOUT ANY WARRANTY; without even the implied warranty of
    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
    GNU General Public License for more details.

    You should have received a copy of the GNU General Public License
    along with Core plugin; if not, write to the Free Software
    Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA
*******************************************************************************/
/*******************************************************************************
** PROJECT:             Project NEMESIS
** FILE:                Job
** FUNCTION:            define calculation job
** VERSION:             1.0
** LANGUAGE:            CBuilder C++
** TARGET COMPUTER:     IBM PC
** PROGRAMMER:          Petr Kulhánek
** HISTORY:
VERSION DATE        NOTE
2002-09             1.0
*******************************************************************************/

/* HEADER FILES ***************************************************************/

#include "CoreMainHeader.h"
#include "ExtObject.h"
#include "SmallString.h"
#include "SmallTime.h"
#include "ContainerEnumerator.h"
#include "MoleculeInfo.h"
#include "Constraint.h"

/* HEADER FILES END ***********************************************************/

class CCalculation;
class CPluginObjectInfo;
class CProperty;
class CCalculationProject;
class CXMLElement;

//---------------------------------------------------------------------------


enum EJobStatus{
    EJS_NEW = 0,
    EJS_SUBMITTED = 1,
    EJS_PAUSED = 2,
    EJS_STARTED = 3,
    EJS_RUN_PAUSED = 4,   
    EJS_SYNCHRONIZED = 5,
    EJS_KILLED = 6,
    EJS_FINISHED = 7,
    };

//---------------------------------------------------------------------------


class NEMESIS_CORE_PACKAGE CJob : public CExtObject {
    public:
         __fastcall CJob(CPluginObjectInfo* objectinfo,CCalculation* p_cal);
    void __fastcall RemoveFromBaseList(void);

    __property CCalculationProject* Project = {read = GetCalculationProject};
    __property CCalculation* Calculation = {read = FCalculation};

 // property manipulation functions --------------------------------------------
    CProperty*                      __fastcall AddProperty(const CUUID& uuid,const CSmallString& name,const CSmallString& descrip);
    bool                            __fastcall RemoveProperty(CProperty* p_prop);
    inline CSimpleList<CProperty>&  __fastcall GetPropertiesList(void);
    CProperty*                      __fastcall FindProperty(int id);

 // get basic information about job --------------------------------------------

    CSmallString __fastcall GetFullCaption(void);

    inline const CTime& __fastcall GetQueueInsertTime(void);
    inline const CTime& __fastcall GetJobStartTime(void);
    inline const CTime& __fastcall GetJobEndTime(void);

    inline const int    __fastcall GetNumOfCPU(void);
    inline const CTime& __fastcall GetCPUTime(void);
    inline const CTime& __fastcall GetWallTime(void);
    const float         __fastcall GetUsageOfCPU(void);

    inline int __fastcall GetCharonJobID(void);
    inline void __fastcall SetCharonJobID(int id);

 // main information abot job --------------------------------------------------
    bool        __fastcall IsActiveJob(void);
    inline bool __fastcall CanChangeData(void);

 // molecule info --------------------------------------------------------------
    bool         __fastcall SetInitialMoleculeInfo(CMoleculeInfo* p_molinfo);
    CSmallString __fastcall GetInitialMoleculeInfoDescription(void);

    inline  CMoleculeInfo* __fastcall GetInitialMoleculeInfo(void);
    virtual CMoleculeInfo* __fastcall GetFinalMoleculeInfo(void);
    inline  CMoleculeInfo* __fastcall GetActiveMoleculeInfo(void);

    virtual EMoleculeInfoType __fastcall GetRequestedMoleculeInfoType(void);

    inline CSimpleList<CMoleculeInfo>&  __fastcall GetMoleculeInfoList(void);
    CMoleculeInfo*                      __fastcall FindMoleculeInfo(int id);

 // find molecule info by internal_id
 // this id is valid only in job work directory
    CMoleculeInfo*                      __fastcall FindInternalMoleculeInfo(int internal_id);

    bool __fastcall SetActiveMoleculeInfo(CMoleculeInfo* p_info);

    CSmallString __fastcall GetResultFullFileName(const CSmallString& file);

    virtual CContainerEnumerator* __fastcall GetJobMolInfoEnumerator(CComObject* p_owner);

    CContainerEnumerator*         __fastcall GetConstraintsEnumerator(CComObject* p_owner);

 // job status functions -------------------------------------------------------
    inline EJobStatus   __fastcall GetCurrentStatus(void);
    CSmallString        __fastcall GetCurrentStatusString(void);

 // load and save of job configuration -----------------------------------------
    bool __fastcall Load(CXMLElement* p_el);
    bool __fastcall LoadAllResults(void);
    bool __fastcall Save(CXMLElement* p_el);

 // main job manipulation functions --------------------------------------------
    bool __fastcall StartJob(void);
    bool __fastcall StartJobTemporary(int comp_id=-1,int queue_id=-1);
    bool __fastcall PauseJob(void);
    bool __fastcall ResumeJob(void);
    bool __fastcall SynchronizeJob(void);
    bool __fastcall KillJob(void);
    bool __fastcall DeleteJob(void);
    bool __fastcall RemoveCalculatedData(void);

 // charon event ---------------------------------------------------------------
    bool __fastcall UpdateJobStatus(EJobStatus new_status);

 // function for preparation of input data -------------------------------------
    CSmallString __fastcall GetJobWorkDirectory(void);
    virtual bool __fastcall PrepareInputData(void);
    virtual bool __fastcall ExtractOutputData(bool& completed);
    virtual CSmallString __fastcall GetInFilesList(void);
    virtual CSmallString __fastcall GetOutFilesList(void);
    virtual CSmallString __fastcall GetSyncFilesList(void);
    virtual bool __fastcall CheckBeforeStart(void);
    virtual bool __fastcall RemoveJobSpecificData(void);
    virtual bool __fastcall LoadMolinfoData(CMoleculeInfo* p_info);

    bool __fastcall ContainData(void);
    void __fastcall SetContainData(void);
    inline bool __fastcall IsCompleted(void);

    public:
    CConstraintsList            Constraints;  // job constraints list

 // section of private data ----------------------------------------------------
    private:
    CSmallString    Machine;
    CTime           QueueInsert;
    CTime           JobStart;
    CTime           JobEnd;
    CTime           CPUTime;
    CTime           WallTime;
    int             NumOfCPU;
    EJobStatus      CurrentStatus;
    int             TimeStamp;          // it is used for synchronization purposes
    bool            FContainData;
    int             CharonJobID;
    int             Temporary;
    CSmallString    TempJobName;
    bool            Completed;

    CCalculation*               FCalculation;
    CSimpleList<CProperty>      Properties;
    CSimpleList<CMoleculeInfo>  Geometries;
    CMoleculeInfo*              ActiveMoleculeInfo;

    void __fastcall AddMoleculeInfo(CMoleculeInfo* p_molinfo);

    virtual bool __fastcall LoadData(CXMLElement* p_ele);
    virtual bool __fastcall SaveData(CXMLElement* p_ele);

    inline CCalculationProject* __fastcall GetCalculationProject(void);
    friend class CCalculation;

    public:
    __fastcall ~CJob(void);
    };

//---------------------------------------------------------------------------

DECLARE_EVENT(Job_AddProperty);
DECLARE_EVENT(Job_RemoveProperty);

DECLARE_EVENT(Job_AddMoleculeInfo);
DECLARE_EVENT(Job_RemoveMoleculeInfo);

DECLARE_EVENT(Job_ChangeStatus);
DECLARE_EVENT(Job_ActivateGeometry);
DECLARE_EVENT(Job_SetInitialGeometry);

DECLARE_EVENT(Job_SetContainData);

//---------------------------------------------------------------------------


class CJobEnumerator : public CContainerEnumerator {
    public:
        __fastcall CJobEnumerator(CComObject* owner,CJob* p_job);
        __fastcall ~CJobEnumerator(void);

    virtual int __fastcall NumOfCommands(void);
    virtual CSmallString __fastcall GetCommand(int i,bool& enabled);
    virtual bool __fastcall DoCommand(int i);

    virtual int         __fastcall NumOfObjects(void);
    virtual bool        __fastcall PrepareObjects(int startpos,int size,int rstart,int rend);
    virtual CExtObject* __fastcall GetObject(int pos);

 // funkce pro rozšíøený popis objektù a kontejnerù ----------------------------
    virtual int __fastcall NumOfColumns(void);  // poèet sloupcù popisujících objekt
    virtual const CSmallString __fastcall GetColumnCaption(int index); // popis sloupce
    virtual const CSmallString __fastcall GetObjectProperty(int index); // vlastnost objektu
    virtual int __fastcall GetObjectImageIndex(void);
    virtual CExtObject* __fastcall GetCurrentObject(void);
    virtual bool __fastcall SetCurrentObject(CExtObject* p_object);

    virtual CExtObject* __fastcall GetMyMaster(void);

    virtual int  __fastcall GetImageIndex(void) const;

    private:
    CJob*                       Job;
    CSimpleIterator<CProperty>  Pointer;
    CProperty*                  CurrentObject;
    int                         StartPos;
    int                         EndPos;
    bool                        Changed;
    CSimpleList<CProperty>      CurrentView;

    void __fastcall ProcessEvent(const CEventIdentifier& event,CExtObject* Sender,void* p_data);
    };

//---------------------------------------------------------------------------

extern CPluginObjectInfo JobEnumObjectInfo;
extern CExtUUID          ID_JobEnum;

//---------------------------------------------------------------------------


class CJobMolInfoEnumerator : public CContainerEnumerator {
    public:
        __fastcall CJobMolInfoEnumerator(CComObject* owner,CJob* p_job);
        __fastcall ~CJobMolInfoEnumerator(void);

    virtual int __fastcall NumOfCommands(void);
    virtual CSmallString __fastcall GetCommand(int i,bool& enabled);
    virtual bool __fastcall DoCommand(int i);

    virtual int         __fastcall NumOfObjects(void);
    virtual bool        __fastcall PrepareObjects(int startpos,int size,int rstart,int rend);
    virtual CExtObject* __fastcall GetObject(int pos);

 // funkce pro rozšíøený popis objektù a kontejnerù ----------------------------
    virtual int __fastcall NumOfColumns(void);  // poèet sloupcù popisujících objekt
    virtual const CSmallString __fastcall GetColumnCaption(int index); // popis sloupce
    virtual const CSmallString __fastcall GetObjectProperty(int index); // vlastnost objektu
    virtual int __fastcall GetObjectImageIndex(void);
    virtual CExtObject* __fastcall GetCurrentObject(void);
    virtual bool __fastcall SetCurrentObject(CExtObject* p_object);

    virtual CExtObject* __fastcall GetMyMaster(void);

    virtual int  __fastcall GetImageIndex(void) const;

    private:
    CJob*                           Job;
    CSimpleIterator<CMoleculeInfo>  Pointer;
    CMoleculeInfo*                  CurrentObject;
    int                             StartPos;
    int                             EndPos;
    bool                            Changed;
    CSimpleList<CMoleculeInfo>      CurrentView;

    void __fastcall ProcessEvent(const CEventIdentifier& event,CExtObject* Sender,void* p_data);
    };

//---------------------------------------------------------------------------

extern CPluginObjectInfo JobMolInfoEnumObjectInfo;
extern CExtUUID          ID_JobMolInfoEnum;

//---------------------------------------------------------------------------

inline CCalculationProject* __fastcall CJob::GetCalculationProject(void)
{
 return((CCalculationProject*)GetProject());
}

//---------------------------------------------------------------------------

inline const CTime& __fastcall CJob::GetQueueInsertTime(void)
{
 return(QueueInsert);
}

//---------------------------------------------------------------------------

inline const CTime& __fastcall CJob::GetJobStartTime(void)
{
 return(JobStart);
}

//---------------------------------------------------------------------------

inline const CTime& __fastcall CJob::GetJobEndTime(void)
{
 return(JobEnd);
}

//---------------------------------------------------------------------------

inline const int    __fastcall CJob::GetNumOfCPU(void)
{
 return(NumOfCPU);
}

//---------------------------------------------------------------------------

inline const CTime& __fastcall CJob::GetCPUTime(void)
{
 return(CPUTime);
}

//---------------------------------------------------------------------------

inline const CTime& __fastcall CJob::GetWallTime(void)
{
 return(WallTime);
}

//---------------------------------------------------------------------------

inline EJobStatus   __fastcall CJob::GetCurrentStatus(void)
{
 return(CurrentStatus);
}

//---------------------------------------------------------------------------

inline int __fastcall CJob::GetCharonJobID(void)
{
 return(CharonJobID);
}

//---------------------------------------------------------------------------

inline void __fastcall CJob::SetCharonJobID(int id)
{
 CharonJobID = id;
}

//---------------------------------------------------------------------------

inline CMoleculeInfo* __fastcall CJob::GetInitialMoleculeInfo(void)
{
 return(Geometries.GetFirst());
}

//---------------------------------------------------------------------------

inline CMoleculeInfo* __fastcall CJob::GetActiveMoleculeInfo(void)
{
 return(ActiveMoleculeInfo);
}

//---------------------------------------------------------------------------

inline bool __fastcall CJob::CanChangeData(void)
{
 return(CurrentStatus == EJS_NEW);
}

//---------------------------------------------------------------------------

inline CSimpleList<CProperty>& __fastcall CJob::GetPropertiesList(void)
{
 return(Properties);
}

//---------------------------------------------------------------------------

inline CSimpleList<CMoleculeInfo>& __fastcall CJob::GetMoleculeInfoList(void)
{
 return(Geometries);
}

//---------------------------------------------------------------------------

inline bool __fastcall CJob::IsCompleted(void)
{
 return(Completed);
}

//---------------------------------------------------------------------------

#endif

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