molmechdlg.h

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#if !defined(MOLMECHDLG_H)
#define MOLMECHDLG_H

#include "win_dialogs_2.h"
#include "GridControl/GridCtrl.h"

class HaMolMechMod;
class NuclAcidMod;
class MMBond;
class MMValAngle;
class MMDihedral;
class MMDihedral;

// AmberParamPage dialog

class AmberParamPage : public CPropertyPage
{
        DECLARE_DYNCREATE(AmberParamPage)

// Construction
public:
        AmberParamPage();
        ~AmberParamPage();

// Dialog Data
        //{{AFX_DATA(AmberParamPage)
        enum { IDD = IDD_MM_AMBER_PARAM };
        //}}AFX_DATA

        HaMolMechMod* ptr_mm_mod;

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

// Implementation
protected:
        // Generated message map functions
        //{{AFX_MSG(AmberParamPage)
        afx_msg void OnAmbSaveAllInp();
        afx_msg void OnAmberRun();
        afx_msg void OnAmberLoadRestart();
        afx_msg void OnEditchangeRunType();
        afx_msg void OnCalcSinglePtEne();
        afx_msg void OnLoadLogFile();
        afx_msg void OnMmStop();
        afx_msg void OnPlayTrj();
        //}}AFX_MSG
        DECLARE_MESSAGE_MAP()

};
// FFParamSetPage dialog

class FFParamSetPage : public CPropertyPage
{
        DECLARE_DYNCREATE(FFParamSetPage)

// Construction
public:
        FFParamSetPage();
        ~FFParamSetPage();

// Dialog Data
        //{{AFX_DATA(FFParamSetPage)
        enum { IDD = IDD_MM_PAR_SETUP };
                // NOTE - ClassWizard will add data members here.
                //    DO NOT EDIT what you see in these blocks of generated code !
        //}}AFX_DATA

        HaMolMechMod* ptr_mm_mod;

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

// Implementation
        BOOL OnInitDialog();
protected:
        // Generated message map functions
        //{{AFX_MSG(FFParamSetPage)
        afx_msg void OnInitMolMech();
        afx_msg void OnConstrainHBond();
        afx_msg void OnSetModParam();
        afx_msg void OnSelOKMovingAtoms();
        //}}AFX_MSG
        DECLARE_MESSAGE_MAP()
    
        void FillAtomListsNames(); 

};

// FFModelEditPage dialog

class FFModelEditPage : public CPropertyPage
{
        DECLARE_DYNCREATE(FFModelEditPage)

public:
        FFModelEditPage();
        ~FFModelEditPage();

// Dialog Data
        //{{AFX_DATA(FFModelEditPage)
        enum { IDD = IDD_MM_EDIT_MODEL };
                // NOTE - ClassWizard will add data members here.
                //    DO NOT EDIT what you see in these blocks of generated code !
        //}}AFX_DATA

        HaMolMechMod* ptr_mm_mod;

        MMBond* cur_bond;
        MMValAngle* cur_vang;
        MMDihedral* cur_dih;
        MMDihedral* cur_impr_dih;
        
// Overrides
        // ClassWizard generate virtual function overrides
        //{{AFX_VIRTUAL(FFModelEditPage)
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        //}}AFX_VIRTUAL

// Implementation
        BOOL OnInitDialog();
   

protected:
        // Generated message map functions
        //{{AFX_MSG(FFModelEditPage)
        afx_msg void OnUpdateElemList();
        afx_msg void OnRadioListDih();
        afx_msg void OnRadioListImproper();
        afx_msg void OnRadioListValBonds();
        afx_msg void OnRadioListValAng();
        afx_msg void OnRadioListMatPoints();
        afx_msg void OnSetNewPar();
        //}}AFX_MSG
        DECLARE_MESSAGE_MAP()

    void OnChangeSelElem();




};

// MolMechDlg

class AmberParamPage;
class FFParamSetPage;
class FFModelEditPage;

class MolMechDlg : public CPropertySheet
{
        DECLARE_DYNAMIC(MolMechDlg)

// Construction
public:
        MolMechDlg(HaMolMechMod* new_ptr_mm_mod, LPCTSTR pszCaption, CWnd* pParentWnd = NULL, UINT iSelectPage = 0);
        virtual ~MolMechDlg();

        AmberParamPage   m_amber_par_page;
        FFParamSetPage   m_ff_par_setup_page;
        FFModelEditPage  m_ff_model_edit_page;

// Attributes
public:

        static int dlg_open;
        HaMolMechMod* ptr_mm_mod;

// Operations
public:

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

// Implementation
public:

        // Generated message map functions
protected:
        //{{AFX_MSG(MolMechDlg)
                // NOTE - the ClassWizard will add and remove member functions here.
        //}}AFX_MSG
        DECLARE_MESSAGE_MAP()
};

class NuclAcidDlg : public CModelessDlg
{
// Construction
public:
        NuclAcidDlg(NuclAcidMod* new_jumna_mod, CWnd* pParent = NULL);   // standard constructor
        virtual ~NuclAcidDlg();

// Dialog Data
        //{{AFX_DATA(NuclAcidDlg)
        enum { IDD = IDD_NUCL_ACID };
        //}}AFX_DATA

        static BOOL dlg_open;

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

// Implementation

        BOOL OnInitDialog();
protected:
        HaMolSet* pmset;
        NuclAcidMod* nucl_acid_mod;

        // Generated message map functions
        //{{AFX_MSG(NuclAcidDlg)
        afx_msg void OnUpdateControls();
        afx_msg void OnSaveChanges();
        afx_msg void OnBuildNuclAcid();
        afx_msg void OnPdistToCnt();
        afx_msg void OnMinEne();
        afx_msg void OnCalcEne();
        afx_msg void DoDNAIntCoordDialog();
        afx_msg void OnGenComplStr();
        afx_msg void OnLocBaseStepPars();
        afx_msg void OnLocHlxParsBp();
        afx_msg void OnCalcAxis();
        afx_msg void OnGlobHlxPar();
        afx_msg void OnCalcBbCrd();
        //}}AFX_MSG
        afx_msg void OnExit();
        DECLARE_MESSAGE_MAP()
};

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

        //{{AFX_DATA(CGridDlg)
        enum { IDD = IDD_DNA_INT_COORD };
        int             m_nCols;
        int             m_nRows;
        int     m_nFixCols;
        int     m_nFixRows;
        BOOL    m_bEditable;
        BOOL    m_bHorzLines;
        BOOL    m_bListMode;
        BOOL    m_bVertLines;
        BOOL    m_bSelectable;
        BOOL    m_bAllowColumnResize;
        BOOL    m_bAllowRowResize;
        BOOL    m_bHeaderSort;
        BOOL    m_bItalics;
        BOOL    m_btitleTips;
        BOOL    m_bSingleSelMode;
    BOOL    m_bSingleColSelMode;
        BOOL    m_bTrackFocus;
        BOOL    m_bFrameFocus;
        BOOL    m_bVirtualMode;
        BOOL    m_bCallback;
    BOOL    m_bVertical;
    BOOL    m_bExpandUseFixed;
    BOOL    m_bRejectEditAttempts;
    BOOL    m_bRejectEditChanges;
        BOOL    m_bRow2Col2Hidden;
        //}}AFX_DATA

        CGridCtrl m_Grid;
        CSize m_OldSize;
        HICON m_hIcon;
        CImageList m_ImageList;

// Overrides
        // ClassWizard generated virtual function overrides
        //{{AFX_VIRTUAL(CGridDlg)
        public:
        virtual BOOL PreTranslateMessage(MSG* pMsg);
        protected:
        virtual void DoDataExchange(CDataExchange* pDX);    // DDX/DDV support
        virtual BOOL OnNotify(WPARAM wParam, LPARAM lParam, LRESULT* pResult);
        //}}AFX_VIRTUAL

public:
        virtual BOOL OnInitDialog();

    static BOOL CALLBACK GridCallback(GV_DISPINFO *pDispInfo, LPARAM lParam);
        void OnGridLines();
    virtual void UpdateMenuUI();

protected:

        // Generated message map functions
        //{{AFX_MSG(CGridDlg)
        afx_msg HCURSOR OnQueryDragIcon();
        afx_msg void OnHorzGridLines();
        afx_msg void OnVertGridLines();
        afx_msg void OnListmode();
        afx_msg void OnEditable();
        afx_msg void OnPrintButton();
        afx_msg void OnAllowSelection();
        afx_msg void OnRowResize();
        afx_msg void OnColResize();
        afx_msg void OnFontButton();
        afx_msg void OnSize(UINT nType, int cx, int cy);
        afx_msg void OnHeaderSort();
        afx_msg void OnEditSelectall();
        afx_msg void OnAppAbout();
        afx_msg void OnItalics();
        afx_msg void OnTitletips();
        afx_msg void OnInsertRow();
        afx_msg void OnDeleteRow();
        afx_msg void OnSingleselmode();
        afx_msg void OnSingleColMode();
        afx_msg void OnExpandToFit();
        afx_msg void OnAutoSize();
        afx_msg void OnFill();
        afx_msg void OnCellUrl();
        afx_msg void OnCellNormal();
        afx_msg void OnCellCombo();
        afx_msg void OnCellNumeric();
        afx_msg void OnCellReadonly();
        afx_msg void OnCellCheckbox();
        afx_msg void OnCellDateTime();
        afx_msg void OnTrackfocus();
        afx_msg void OnFramefocus();
        afx_msg void OnExpandLast();
        afx_msg void OnSetFocus11();
        afx_msg void OnVirtualMode();
        afx_msg void OnCallbackFunction();
        afx_msg void OnFixedRowSelection();
        afx_msg void OnFixedColSelection();
    afx_msg void OnVertical();
    afx_msg void OnExpandUseFixed();
        afx_msg void OnRejectEditAttempts();
        afx_msg void OnRejectEditChanges();
        afx_msg void OnContextMenu(CWnd* pWnd, CPoint point);
        //}}AFX_MSG
    afx_msg void OnGridDblClick(NMHDR *pNotifyStruct, LRESULT* pResult);
    afx_msg void OnGridClick(NMHDR *pNotifyStruct, LRESULT* pResult);
    afx_msg void OnGridRClick(NMHDR *pNotifyStruct, LRESULT* pResult);
    afx_msg void OnGridStartEdit(NMHDR *pNotifyStruct, LRESULT* pResult);
    afx_msg void OnGridEndEdit(NMHDR *pNotifyStruct, LRESULT* pResult);
    afx_msg void OnGridStartSelChange(NMHDR *pNotifyStruct, LRESULT* pResult);
    afx_msg void OnGridEndSelChange(NMHDR *pNotifyStruct, LRESULT* pResult);
    afx_msg void OnGridBeginDrag(NMHDR *pNotifyStruct, LRESULT* pResult);
        afx_msg void OnExit();
        DECLARE_MESSAGE_MAP()
#ifndef GRIDCONTROL_NO_CLIPBOARD
        afx_msg void OnEditCopy();
        afx_msg void OnEditCut();
        afx_msg void OnUpdateEditCopyOrCut(CCmdUI* pCmdUI);
        afx_msg void OnEditPaste();
        afx_msg void OnUpdateEditPaste(CCmdUI* pCmdUI);
#endif
};

class DNAIntCrdDlg : public CGridDlg
{
// Construction
public:
        DNAIntCrdDlg(NuclAcidMod* new_jumna_mod, CWnd* pParent = NULL);   // standard constructor
        virtual ~DNAIntCrdDlg();

// Dialog Data
        //{{AFX_DATA(DNAIntCrdDlg)
        enum { IDD = IDD_NUCL_ACID };
        //}}AFX_DATA

        static BOOL dlg_open;

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

// Implementation

        enum DISPLAY_MODE { JUMNA_HLX_CRD = 1, BASE_BASE_CRD, GLOB_INTER_BASE_CRD, GLOB_INTER_BP_CRD,
                LOC_INTER_BASE_CRD, LOC_INTER_BP_CRD} display_mode;

        BOOL OnInitDialog();
protected:
        HaMolSet* pmset;
        NuclAcidMod* nucl_acid_mod;

        // Generated message map functions
        //{{AFX_MSG(DNAIntCrdDlg)
        afx_msg void OnUpdateContent();
        afx_msg void OnSize(UINT nType, int cx, int cy);
        afx_msg void OnBaseBasePars();
        //}}AFX_MSG
        afx_msg void OnSetFromJumna();
    afx_msg void OnSetToJumna();
    afx_msg void OnUpdateXYZ();
        afx_msg void OnUpdateGrid();
        afx_msg void OnExit();
        afx_msg void OnGridEndEdit(NMHDR *pNotifyStruct, LRESULT* pResult);
        afx_msg void OnLockSelCrd();
        DECLARE_MESSAGE_MAP()
};


//{{AFX_INSERT_LOCATION}}
// Microsoft Visual C++ will insert additional declarations immediately before the previous line.

#endif // !defined(MOLMECHDLG_H)

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