win_dialogs_2.h

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#if !defined(WIN_DIALOGS_2_H)
#define WIN_DIALOGS_2_H

#include "resource.h"
#include "harlemwin.idm"
#include "listctrlex.h"
#include "hastl.h"
#include "hastring.h"

class HaQCMod;
class ETCoupl;
class HaMolSet;
class HaMolView;
class ChemGroup;
class ElectrostMod;
class Object3D;
class HarlemApp;
class HaAtom;
class HaMolecule;
class AtomList;

class CModelessDlg : public CDialog
{
// Construction
public:
        CModelessDlg();   // standard constructor

// Dialog Data
        //{{AFX_DATA(CModelessDlg)
                // NOTE: the ClassWizard will add data members here
        //}}AFX_DATA


// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(CModelessDlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);
        virtual void PostNcDestroy();
        //}}AFX_VIRTUAL

        virtual void OnOK(void);
        virtual void OnCancel(void);
        virtual void OnClose(void);

// Implementation
protected:
        // Generated message map functions
        //{{AFX_MSG(CModelessDlg)
                // NOTE: the ClassWizard will add member functions here
        //}}AFX_MSG
        DECLARE_MESSAGE_MAP()
};


// Select Local Orbitals  dialog


class SelectLocOrbDlg : public CModelessDlg
{
// Construction
public:
        SelectLocOrbDlg(HaQCMod* new_pqc_mod, CWnd* pParent = NULL);   // standard constructor
        virtual ~SelectLocOrbDlg();

        void SetExtList(CDialog* new_phost_dialog, UINT new_ext_list_id);

// Dialog Data
        //{{AFX_DATA(SelectLocOrbDlg)
                // NOTE: the ClassWizard will add data members here
        //}}AFX_DATA

        static BOOL dlg_open;

// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(SelectLocOrbDlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation

        BOOL OnInitDialog();
protected:
        HaQCMod* pqc_mod;
        CDialog* phost_dialog;
        UINT ext_list_id;

        void DDX_lorb_list(CDataExchange* pDX, int id);

        // Generated message map functions
        //{{AFX_MSG(SelectLocOrbDlg)
        //}}AFX_MSG
        afx_msg void OnExtractSel();
        DECLARE_MESSAGE_MAP()
};

class MolViewParDlg : public CModelessDlg
{
// Construction
public:
        MolViewParDlg(HaMolView* new_pview, CWnd* pParent = NULL);   // standard constructor
        virtual ~MolViewParDlg();

// Dialog Data
        //{{AFX_DATA(MolViewParDlg)
                // NOTE: the ClassWizard will add data members here
        //}}AFX_DATA
 
        static BOOL dlg_open;

// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(MolViewParDlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation

        BOOL OnInitDialog();
protected:
        HaMolView* pview;

        // Generated message map functions
        //{{AFX_MSG(MolViewParDlg)
        afx_msg void OnResetViewRot();
        //}}AFX_MSG
        afx_msg void OnSetControlPar();
        afx_msg void OnSetViewPar();
        DECLARE_MESSAGE_MAP()
};


class Object3DDlg : public CModelessDlg
{
// Construction
public:
        Object3DDlg(HaMolView* new_pview, CWnd* pParent = NULL);   // standard constructor
        virtual ~Object3DDlg();

// Dialog Data
        //{{AFX_DATA(Object3DDlg)
        enum { IDD = IDD_OBJECT3D };
        //}}AFX_DATA

        static BOOL dlg_open;

// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(Object3DDlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation

        BOOL OnInitDialog();
protected:
        HaMolView* pview;
        vector<Object3D*> obj_vec;

        void DDX_obj_list(CDataExchange* pDX);

        // Generated message map functions
        //{{AFX_MSG(Object3DDlg)
        //}}AFX_MSG
        afx_msg void OnDelete();
        afx_msg void OnDisplay();
        afx_msg void OnUnDisplay();
        afx_msg void OnUpdate();
        afx_msg void OnClose();
        DECLARE_MESSAGE_MAP()
};



class MolSetParDlg : public CModelessDlg
{
// Construction
public:
        MolSetParDlg(HaMolSet* new_pmset, CWnd* pParent = NULL);   // standard constructor
        virtual ~MolSetParDlg();

// Dialog Data
        //{{AFX_DATA(MolSetParDlg)
        enum { IDD = IDD_MOLSET_PAR };
        //}}AFX_DATA

        static BOOL dlg_open;

// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(MolSetParDlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation

        BOOL OnInitDialog();
protected:
        HaMolSet* pmset;

        // Generated message map functions
        //{{AFX_MSG(MolSetParDlg)
        afx_msg void OnMultMol();
        //}}AFX_MSG
        afx_msg void OnSetControlPar();
        afx_msg void OnSetMolPar();
        DECLARE_MESSAGE_MAP()
};

class CompAccountsDlg : public CModelessDlg
{
// Construction
public:
        CompAccountsDlg(CWnd* pParent = NULL);   // standard constructor
    virtual ~CompAccountsDlg();

// Dialog Data
        //{{AFX_DATA(CompAccountsDlg)
        enum { IDD = IDD_COMP_ACCOUNTS};
        //}}AFX_DATA

        static BOOL dlg_open;

// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(CompAccountsDlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation

        BOOL OnInitDialog();
protected:

        // Generated message map functions
        //{{AFX_MSG(CompAccountsDlg)
        afx_msg void OnAccShowLoad();
        //}}AFX_MSG
        afx_msg void OnClose();
        DECLARE_MESSAGE_MAP()
};

class RedirectIODlg : public CModelessDlg
{
// Construction
public:
        RedirectIODlg(CWnd* pParent = NULL);   // standard constructor
    virtual ~RedirectIODlg();

// Dialog Data
        //{{AFX_DATA(RedirectIODlg)
        enum { IDD = IDD_REDIRECT_IO};
        //}}AFX_DATA

        static BOOL dlg_open;

// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(RedirectIODlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation

        BOOL OnInitDialog();
protected:

        // Generated message map functions
        //{{AFX_MSG(RedirectIODlg)
        afx_msg void OnStdoutFile();
        afx_msg void OnStdoutConsole();
        //}}AFX_MSG
        afx_msg void OnClose();
        DECLARE_MESSAGE_MAP()
};



class EditGeomDlg : public CModelessDlg
{
// Construction
public:
        EditGeomDlg(HaMolSet* new_pmset, CWnd* pParent = NULL);   // standard constructor
        virtual ~EditGeomDlg();

// Dialog Data
        //{{AFX_DATA(EditGeomDlg)
        enum { IDD = IDD_EDIT_GEOM };
        //}}AFX_DATA

        static BOOL dlg_open;
        static EditGeomDlg* active_dlg_ptr;

                int int_focus; 

// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(EditGeomDlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation

        BOOL OnInitDialog();
protected:
        HaMolSet* pmset;

        HaAtom* aptr1;
        HaAtom* aptr2;
        HaAtom* aptr3;
        HaAtom* aptr4;

        void GetAtoms();

        // Generated message map functions
        //{{AFX_MSG(EditGeomDlg)
        afx_msg void OnCalcGeom();
        afx_msg void OnSetGeom();
        afx_msg void OnIncremTors();
        afx_msg void OnDelBond();
        afx_msg void OnCreateBond();
        afx_msg void OnDelAtom();
        afx_msg void OnMergeMol();
        afx_msg void OnAttachMol();
        //}}AFX_MSG
        afx_msg void OnCalcTorsion();
        afx_msg void OnChangeTorsion();
        afx_msg void OnAtomSelect();
        
        afx_msg void SetIntFocusAt1();
        afx_msg void SetIntFocusAt2();
        afx_msg void SetIntFocusAt3();
        afx_msg void SetIntFocusAt4();

        DECLARE_MESSAGE_MAP()
};


// Class to set Parameters of Quantum Chemical Calculations

class QChemParDlg : public CModelessDlg
{
// Construction
public:
        QChemParDlg(HaQCMod* new_phost_qcmod, CWnd* pParent = NULL);   // standard constructor
        virtual ~QChemParDlg();

// Dialog Data
        //{{AFX_DATA(QChemParDlg)
        enum { IDD = IDD_QCHEM_PARAM };
        //}}AFX_DATA

        static BOOL dlg_open;          

// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(QChemParDlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation

        BOOL OnInitDialog();

        void DDX_bas_name(CDataExchange* pDX );
    void DDX_active_orb(CDataExchange* pDX );
        void DDX_wave_fun_type(CDataExchange* pDX );

protected:
        HaQCMod* phost_qcmod;

        // Generated message map functions
        //{{AFX_MSG(QChemParDlg)
        afx_msg void OnIpackTest1();
        afx_msg void OnIpackTest2();
        afx_msg void OnTestRandom();
        afx_msg void OnRunCndo();
        afx_msg void OnRunCndo2();
        afx_msg void OnStopCalc();
        afx_msg void OnChangeMethod();
        //}}AFX_MSG
        afx_msg void OnClose();
        afx_msg void OnSetPar();
        afx_msg void OnSaveInpFile();
        afx_msg void OnRunCalc();
        DECLARE_MESSAGE_MAP()
};

// Dialog to Analyse results of Quantum Chemical Calculations 

class WaveFunAnalDlg : public CModelessDlg
{
// Construction
public:
        WaveFunAnalDlg(HaQCMod* new_phost_qcmod, CWnd* pParent = NULL);   // standard constructor
        virtual ~WaveFunAnalDlg();

// Dialog Data
        //{{AFX_DATA(WaveFunAnalDlg)
        enum { IDD = IDD_WAVEFUN_ANAL };
        //}}AFX_DATA

        static BOOL dlg_open;

// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(WaveFunAnalDlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation

        BOOL OnInitDialog();

        void DDX_MO_list(CDataExchange* pDX );

        int GetSelMOIdx(); 
protected:
        HaQCMod* phost_qcmod;

        // Generated message map functions
        //{{AFX_MSG(WaveFunAnalDlg)
        afx_msg void OnMoveUp();
        afx_msg void OnMoveDown();
        //}}AFX_MSG
        afx_msg void OnClose();
        afx_msg void OnPlotMO();
        afx_msg void OnPrintMOCoef();
        afx_msg void OnMOrefresh();
        DECLARE_MESSAGE_MAP()

};


// Dialog to perform ET PATHWAYS calculations

class PathwaysDlg : public CModelessDlg
{
// Construction
public:
        PathwaysDlg(ETCoupl* new_etmod, CWnd* pParent = NULL);   // standard constructor
    virtual ~PathwaysDlg();

// Dialog Data
        //{{AFX_DATA(PathwaysDlg)
                // NOTE: the ClassWizard will add data members here
        //}}AFX_DATA

        static BOOL dlg_open;

// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(PathwaysDlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation

        BOOL OnInitDialog();

        double sel_thresh;
protected:
        ETCoupl* etmod;

        // Generated message map functions
        //{{AFX_MSG(PathwaysDlg)
        //}}AFX_MSG
        afx_msg void OnClose();
        afx_msg void OnPathRun();
        afx_msg void OnCouplMap();
        afx_msg void OnBestPath();
        afx_msg void OnSelCoupled();
        afx_msg void OnDutton();
        DECLARE_MESSAGE_MAP()
};

class EditFragmDlg : public CModelessDlg
{
// Construction
public:
        EditFragmDlg(HaMolSet* new_pmset, CWnd* pParent = NULL);   // standard constructor
        virtual ~EditFragmDlg();

// Dialog Data
        //{{AFX_DATA(EditFragmDlg)
                // NOTE: the ClassWizard will add data members here
        //}}AFX_DATA

        static BOOL dlg_open;

// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(EditFragmDlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation

        BOOL OnInitDialog();
protected:
        HaMolSet* pmset;

        // Generated message map functions
        //{{AFX_MSG(EditFragmDlg)
        //}}AFX_MSG
        afx_msg void OnSaveFragm();
        afx_msg void OnCreateFragm();
        afx_msg void OnExit();
        DECLARE_MESSAGE_MAP()
};

class LoadScriptDlg : public CModelessDlg
{
// Construction
public:
        LoadScriptDlg(CWnd* pParent = NULL);   // standard constructor
    virtual ~LoadScriptDlg();

// Dialog Data
        //{{AFX_DATA(LoadScriptDlg)
        enum { IDD = IDD_LOAD_SCRIPT };
        //}}AFX_DATA

        static BOOL dlg_open;

// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(LoadScriptDlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation

        BOOL OnInitDialog();
protected:

        // Generated message map functions
        //{{AFX_MSG(LoadScriptDlg)
        afx_msg void OnEditScript();
        //}}AFX_MSG
        afx_msg void OnExecuteScript();
        afx_msg void OnExecuteRasmolScript();
        afx_msg void OnScriptListUpdate();
        afx_msg void OnExit();
        DECLARE_MESSAGE_MAP()
};

// Custom Edit Control to Edit Scripts:
//
class CScriptEditCtrl: public CRichEditCtrl
{
public:
        CScriptEditCtrl();
        BOOL SubclassEdit(UINT nID, CWnd* pParent);

protected:
        //{{AFX_MSG(CScriptEditCtrl)
        afx_msg void OnChar(UINT, UINT, UINT); // to intercept character enter
        afx_msg void OnKeyDown(UINT, UINT, UINT); // to intercept character enter
        afx_msg UINT OnGetDlgCode(); // To change the behavior to intersept ENTER message
        //}}AFX_MSG

        DECLARE_MESSAGE_MAP()
};


class EditScriptDlg : public CModelessDlg
{
// Construction
public:
        EditScriptDlg(CWnd* pParent = NULL);   // standard constructor
    virtual ~EditScriptDlg();

// Dialog Data
        //{{AFX_DATA(EditScriptDlg)
        enum { IDD = IDD_EDIT_SCRIPT };
        //}}AFX_DATA

        static BOOL dlg_open;
                CScriptEditCtrl m_script_edt_ctrl;

// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(EditScriptDlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation
        BOOL OnInitDialog();
protected:

        // Generated message map functions
        //{{AFX_MSG(EditScriptDlg)
        //}}AFX_MSG
        afx_msg void OnExecuteScript();
        afx_msg void OnExit();
        DECLARE_MESSAGE_MAP()
};

class ResDBDlg : public CModelessDlg
{
// Construction
public:
        ResDBDlg(CWnd* pParent = NULL);   // standard constructor
    virtual ~ResDBDlg();

// Dialog Data
        //{{AFX_DATA(ResDBDlg)
        enum { IDD = IDD_RES_DB };
        //}}AFX_DATA

        static BOOL dlg_open;

// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(ResDBDlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation
        BOOL OnInitDialog();
protected:

        HaMolecule* sel_templ;

        // Generated message map functions
        //{{AFX_MSG(ResDBDlg)
        afx_msg void OnExit();
        afx_msg void OnUpdateTemplList();
        afx_msg void OnResDBLoad();
        //}}AFX_MSG
        afx_msg void OnChangeSelTempl();
        DECLARE_MESSAGE_MAP()
};




class ElectrostDlg : public CModelessDlg
{
// Construction
public:
        ElectrostDlg(ElectrostMod* new_electrost_mod, CWnd* pParent = NULL);   // standard constructor
        virtual ~ElectrostDlg();

// Dialog Data
        //{{AFX_DATA(ElectrostDlg)
        enum { IDD = IDD_CONTINUUM_ELECTR };
        //}}AFX_DATA
        
        static BOOL dlg_open;

// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(ElectrostDlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation

        BOOL OnInitDialog();
protected:
        ElectrostMod* electrost_mod;

        // Generated message map functions
        //{{AFX_MSG(ElectrostDlg)
        afx_msg void OnColorSurfPot();
        afx_msg void OnElFieldLoad();
        afx_msg void OnElFieldSave();
        afx_msg void OnAvgPotDon();
        //}}AFX_MSG
        afx_msg void OnClose();
        afx_msg void OnSetParamMod();
        afx_msg void OnEditAtomParams();
        afx_msg void OnSaveInpFiles();
        afx_msg void OnETReorgEne();
        afx_msg void OnCalcRedoxPotShft();
        afx_msg void OnRun();
        afx_msg void OnCalcPotIsoLvl();
    afx_msg void OnCalcIndCharge();
    afx_msg void OnPlotIndCharge();
        afx_msg void OnCalcPotVdwDots();

        DECLARE_MESSAGE_MAP()
};


class AtomParamsDlg : public CModelessDlg
{
// Construction
public:
        AtomParamsDlg(HaMolSet* new_pmset, CWnd* pParent = NULL);   // standard constructor
    virtual ~AtomParamsDlg();

// Dialog Data
        //{{AFX_DATA(AtomParamsDlg)
        enum { IDD = IDD_ATOM_PARAMS };
        //}}AFX_DATA

        static BOOL     coord_edit_flag;
        static BOOL     element_edit_flag;
        static BOOL     charge_edit_flag;
        static BOOL     ff_symbol_edit_flag;
        static BOOL     mass_edit_flag;
        static BOOL     atname_edit_flag;
        static BOOL     radius_edit_flag;
        static BOOL     vdwrad_edit_flag;
        static BOOL     vdwene_edit_flag;
        static BOOL     temperature_edit_flag;
        static BOOL     hybridization_edit_flag;
        static BOOL     hb_status_edit_flag;
        static BOOL solv_access_area_flag;
       
        static int ResetEditFlags();

// Column numbers of Atom Properties:
        int n_x_coord;
        int n_y_coord;
        int n_z_coord;

        int n_element;
        int n_charge;
        int n_ff_symbol;
        int n_mass;
        int n_atname;
        int n_radius;
        int n_vdwrad;
        int n_vdwene;
        int n_temp;
        int n_hybrid;
        int n_hb_status;
        int n_solv_access;
        
        static BOOL dlg_open;

// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(AtomParamsDlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation

        BOOL OnInitDialog();
protected:
        HaMolSet* pmset;
        CListCtrlEx1 m_atom_lctrl;

        // Generated message map functions
        //{{AFX_MSG(AtomParamsDlg)
        afx_msg void OnChangeProp();
        afx_msg void OnEdtAtAmberCh();
        afx_msg void OnEdtAtHBondStatus();
        afx_msg void OnEdtAtAmberFFSymb();
        afx_msg void OnEdtAtElemMass();
        afx_msg void OnCopyToChmap();
        afx_msg void OnSetFromChmap();
        afx_msg void OnEditAtPhCh();
        afx_msg void OnMinDist();
        afx_msg void OnSetSpecRad();
        //}}AFX_MSG
        afx_msg void OnCalcDipole();
    afx_msg void OnSetVdwRad();
        afx_msg void OnSetParseRad();
        afx_msg void OnClose();
        afx_msg void OnSetStdCharges();
        afx_msg void OnSetZeroCharges();
        afx_msg void OnUpdateAtomList();
        afx_msg void OnEndLabelEdit(NMHDR* pnmhdr, LRESULT *pResult);
        DECLARE_MESSAGE_MAP()

        void SetColumns();
        void FillAtomList();
};

class SolvateDlg : public CModelessDlg
{
// Construction
public:
        SolvateDlg(HaMolSet* new_pmset, CWnd* pParent = NULL);   // standard constructor
    virtual ~SolvateDlg();

// Dialog Data
        //{{AFX_DATA(SolvateDlg)
        enum { IDD = IDD_SOLVATE };
        double  m_solv_buf;
        //}}AFX_DATA
        
        static BOOL dlg_open;

// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(SolvateDlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation

        BOOL OnInitDialog();
protected:
        HaMolSet* pmset;

        // Generated message map functions
        //{{AFX_MSG(SolvateDlg)
        //}}AFX_MSG
        afx_msg void OnSolvMol();
        afx_msg void OnClose();
        DECLARE_MESSAGE_MAP()
};

class ResidueParamsDlg : public CModelessDlg
{
// Construction
public:
        ResidueParamsDlg(HaMolSet* new_pmset, CWnd* pParent = NULL);   // standard constructor
    virtual ~ResidueParamsDlg();

// Dialog Data
        //{{AFX_DATA(ResidueParamsDlg)
        enum { IDD = IDD_RESIDUE_PARAMS };
        //}}AFX_DATA

        static BOOL     res_name_flag;
        static BOOL     res_num_flag;
        static BOOL     res_name_modifier_flag;
        static BOOL     chain_name_flag;
        static BOOL     alt_states_flag;
        static BOOL     alt_states_pk_flag;
        static BOOL     alt_states_stdpk_flag;
        static BOOL     alt_states_inactive_flag;
       
        static int ResetEditFlags();

// Column numbers of Residue Properties:

        int n_res_name;
        int n_res_name_modifier;
        int n_res_num;
        int n_chain_name;
        int n_alt_states;
        int n_alt_states_pk;
        int n_alt_states_stdpk;
        int n_alt_states_inactive;
        
        static BOOL dlg_open;

// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(ResidueParamsDlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation

        BOOL OnInitDialog();
protected:
        HaMolSet* pmset;
        CListCtrlEx1 m_residue_lctrl;

        // Generated message map functions
        //{{AFX_MSG(ResidueParamsDlg)
        afx_msg void OnChangeProp();
        afx_msg void OnClose();
        afx_msg void OnStdPK();
        afx_msg void OnCalcPK();
        afx_msg void OnSetAltInactive();
        afx_msg void OnSetAltActive();
        afx_msg void OnStdPk1();
        afx_msg void OnCheckStruct();
        afx_msg void OnDelExtraAt();
        afx_msg void OnAddMissAt();
        //}}AFX_MSG
        afx_msg void OnUpdateResidueList();
        afx_msg void OnEndLabelEdit(NMHDR* pnmhdr, LRESULT *pResult);
        DECLARE_MESSAGE_MAP()

        void SetColumns();
        void FillResidueList();
};


class BuildFilmDlg : public CModelessDlg
{
// Dialog Class to build a 2-D layer of absorbed molecules
// moldecules 
public:
        BuildFilmDlg(HaMolSet* new_pmset, CWnd* pParent = NULL); 
        virtual ~BuildFilmDlg(); 
        // standard constructor

// Dialog Data
        //{{AFX_DATA(BuildFilmDlg)
                // NOTE: the ClassWizard will add data members here
        //}}AFX_DATA

        static BOOL dlg_open;

        double dx; //  increment between molecules along x direction
        double dy; //  increment metween molecules along y direction
        int nx;    //  the number of molecules along X axis
        int ny;    //  the number of molecules along Y axis
        
        double alpha; // angle between x and y directions
        double tilt;  // inclination angle of the molecules to the surface
        
        double nunit; // the number of monomers in the adsorbed molecule

        double num_surf_layers; // the Number of Surface layers

        int add_surf_below_flag;
        int add_surf_top_flag;
        int add_atom_top_flag;
        int add_atom_below_flag;





// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(BuildFilmDlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation

        BOOL OnInitDialog();
protected:
        HaMolSet* pmset;

        // Generated message map functions
        //{{AFX_MSG(BuildFilmDlg)
        //}}AFX_MSG
        afx_msg void OnCreateFilm();
        afx_msg void OnCreateSurf();
        afx_msg void OnClose();
        DECLARE_MESSAGE_MAP()
};


class LoadQCDatDlg : public CModelessDlg
{
// Construction
public:
        LoadQCDatDlg(HaQCMod* new_qcmod, CWnd* pParent = NULL);   // standard constructor
        virtual ~LoadQCDatDlg();

// Dialog Data
        //{{AFX_DATA(LoadQCDatDlg)
                // NOTE: the ClassWizard will add data members here
        //}}AFX_DATA
        
        static BOOL dlg_open;

// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(LoadQCDatDlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation

        BOOL OnInitDialog();
protected:
        HaQCMod* qcmod;

        // Generated message map functions
        //{{AFX_MSG(LoadQCDatDlg)
        //}}AFX_MSG
        afx_msg void OnLoadData();
        afx_msg void OnExit();
        DECLARE_MESSAGE_MAP()
};



class EditGroupsDlg : public CModelessDlg
{
// Construction
public:
        EditGroupsDlg(HaMolSet* new_pmset, int itype, CWnd* pParent = NULL);   // standard constructor
    virtual ~EditGroupsDlg();

// Dialog Data
        //{{AFX_DATA(EditGroupsDlg)
        enum { IDD = IDD_EDIT_GROUPS };
        //}}AFX_DATA

        static BOOL dlg_open;
        static EditGroupsDlg* active_dlg_ptr;
 
// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(EditGroupsDlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation

        BOOL OnInitDialog();
protected:
        HaMolSet* pmset;

//      AtomList* sel_at_list; //!< Selected Atom List

        int igrp_type; 
        enum {CHEM_GRP_TYPE=0, ATOM_LIST_TYPE,REDOX_CNT_TYPE};

        // Generated message map functions
        //{{AFX_MSG(EditGroupsDlg)
        afx_msg void OnTypeChemGrp();
        afx_msg void OnTypeRdxCnt();
        afx_msg void OnTypeAtomList();
        afx_msg void OnSetSelFromGrp();
        afx_msg void OnAddSelToGrp();
        afx_msg void OnDelSelFromGrp();
        afx_msg void OnCalcDonAccDist();
        afx_msg void OnRenameGrp();
        afx_msg void OnCopyGrp();
        afx_msg void OnPickAtom();
        afx_msg void OnPickResidue();
        afx_msg void OnPickChemGrp();
        //}}AFX_MSG
        afx_msg void OnClose();
        afx_msg void OnNewGroup();
        afx_msg void OnDelGroup();
        afx_msg void OnAtomSelect();
        afx_msg void OnResetMemb();
        afx_msg void OnDelMemb();
        afx_msg void OnInclMemb();
        afx_msg void OnOK();
        afx_msg void OnSetProt();
        afx_msg void OnStdGroups();
        afx_msg void OnRenumberGrp();
        afx_msg void OnChangeSelGroup();
        DECLARE_MESSAGE_MAP()

        void FillGroupList();
        AtomList* GetSelGroup(); 
};


class ETCoupl;

// ETEffHamDlg  dialog

class ETEffHamDlg : public CModelessDlg
{
// Construction
public:
        ETEffHamDlg(ETCoupl* new_ptr_et_mod); // standard constructor
        virtual ~ETEffHamDlg();

// Dialog Data
        //{{AFX_DATA(ETEffHamDlg)
        enum { IDD = IDD_ET_EFF_HAM };
        //}}AFX_DATA

        static BOOL dlg_open;

// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(ETEffHamDlg)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation

        BOOL OnInitDialog();
protected:
        ETCoupl* ptr_et_mod;

        void DDX_eig_val(int set_var);
        void DDX_tun_ener(int set_var);
        void DDX_da_eig(int set_var);
        void DDX_da_field(int set_var);
        void DDX_list_loc_orb_gf(int set_var);

        // Generated message map functions
        //{{AFX_MSG(ETEffHamDlg)
        afx_msg void OnSetParam();
        afx_msg void OnClearHeff();
        afx_msg void OnCalcHeff();
        afx_msg void OnCalcScanEne();
        afx_msg void OnDiagHeff();
        afx_msg void OnMinSplit();
        afx_msg void OnSaveDB();
        afx_msg void OnBuildDB();
        afx_msg void OnChooseLorbSrc();
        afx_msg void OnChooseLorbTgt();
        afx_msg void OnResetSrcLorb();
        afx_msg void OnResetTgtLorb();
        afx_msg void OnCalcGFfromMO();
        afx_msg void OnCalcGFfromHeff();
        afx_msg void OnPrintProtectMat();
        afx_msg void OnPlotEigenVec();
        afx_msg void OnCalcHDAfromGF();
        afx_msg void OnCalcHDAPert();
        afx_msg void OnSetDACoef1();
        afx_msg void OnPrintEigVec();
        afx_msg void OnZeroLong();
        afx_msg void OnPrintOvlpElem();
        afx_msg void OnPrintHeffElem();
        //}}AFX_MSG
        DECLARE_MESSAGE_MAP()
 
        void FillListBoxHeffEigene();
};


// HaOpenMolFile dialog

class HaOpenMolDlg : public CFileDialog
{
        DECLARE_DYNAMIC(HaOpenMolDlg)

public:
        HaOpenMolDlg();
        ~HaOpenMolDlg();

        virtual void DoDataExchange(CDataExchange* pDX);

        BOOL OnInitDialog();
protected:
        //{{AFX_MSG(HaOpenMolDlg)
        //}}AFX_MSG

        afx_msg void UpdateDlgData();

        DECLARE_MESSAGE_MAP()
protected:
        virtual void OnFolderChange(void);
};

// HaSaveMolFile dialog

class HaSaveMolDlg : public CFileDialog
{
        DECLARE_DYNAMIC(HaSaveMolDlg)

public:
        HaSaveMolDlg(HaMolSet* new_mol_set);
        virtual void DoDataExchange(CDataExchange* pDX);
        ~HaSaveMolDlg();

        BOOL OnInitDialog();

protected:
        //{{AFX_MSG(HaSaveMolDlg)
        //}}AFX_MSG

        afx_msg void UpdateDlgData();

        DECLARE_MESSAGE_MAP()
protected:
        HaMolSet* m_mol_set;
};


// Custom Edit Control to Enter Text Commands:
//
class CCommandEdit: public CEdit
{
public:
        CCommandEdit();
        BOOL SubclassEdit(UINT nID, CWnd* pParent);

protected:
        //{{AFX_MSG(CCommandEdit)
        afx_msg void OnChar(UINT, UINT, UINT); // to intercept character enter
        afx_msg void OnKeyDown(UINT, UINT, UINT); // to intercept character enter
        afx_msg UINT OnGetDlgCode(); // To change the behavior to intersept ENTER message
        //}}AFX_MSG

        DECLARE_MESSAGE_MAP()
};


// Custom Edit Control to be filled by Atom, Residue or Molecule 
// Reference which was pointed by a mouse 
//
class HaAtom;

class CAtomEdit: public CEdit
{
public:
        CAtomEdit();
        virtual ~CAtomEdit();
        BOOL SubclassEdit(UINT nID, CWnd* pParent);

        static list<CAtomEdit*> active_controls;
        static int BroadCastPickedAtom(HaAtom* PickAtom);

        int OnAtomPicked(HaAtom* PickAtom);

        enum PICK_MODE { PICK_ATOM, PICK_RESIDUE, PICK_MOLECULE, PICK_GROUP} pick_mode;

protected:
        //{{AFX_MSG(CAtomEdit)
        //}}AFX_MSG

        DECLARE_MESSAGE_MAP()
};

extern "C"{ 
#if defined(MOLMECHDLG_CPP)
   void AFXAPI DDX_Text(CDataExchange* pDX, int nIDC, HaString& value);
#else
   extern AFXAPI DDX_Text(CDataExchange* pDX, int nIDC, HaString& value);
#endif
}

//{{AFX_INSERT_LOCATION}}
// Microsoft Developer Studio will insert additional declarations immediately before the previous line.




#endif // !defined(WIN_DIALOGS_2_H)

---