wxSources/MyDocument.h

   1 /*
   2  *  MyDocument.h
   3  *  Molby
   4  *
   5  *  Created by Toshi Nagata on 08/10/24.
   6  *  Copyright 2008 Toshi Nagata. All rights reserved.
   7  *
   8  This program is free software; you can redistribute it and/or modify
   9  it under the terms of the GNU General Public License as published by
  10  the Free Software Foundation version 2 of the License.
  11
  12  This program is distributed in the hope that it will be useful,
  13  but WITHOUT ANY WARRANTY; without even the implied warranty of
  14  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
  15  GNU General Public License for more details.
  16  */
  17
  18 #ifndef __MyDocument_h__
  19 #define __MyDocument_h__
  20
  21 #include "wx/docview.h"
  22 #include "wx/cmdproc.h"
  23 #include "wx/process.h"
  24
  25 #include "../MolLib/MolLib.h"
  26
  27 #include <stdio.h>   /*  For FILE structure  */
  28
  29 class wxProcess;  /*  For running QChem  */
  30
  31 /*  Custom Event for Document handling  */
  32 extern const wxEventType MyDocumentEvent;
  33 enum {
  34         MyDocumentEvent_willNeedCleanUndoStack = 1,
  35         MyDocumentEvent_documentModified,
  36         MyDocumentEvent_scriptMenuModified,
  37         MyDocumentEvent_updateDisplay,
  38         MyDocumentEvent_insertFrameFromMD,
  39         MyDocumentEvent_threadTerminated,
  40         MyDocumentEvent_openFilesByEvent,
  41         MyDocumentEvent_documentWillClose,
  42         MyDocumentEvent_openAuxiliaryDocuments
  43 };
  44
  45 class MyDocument: public wxDocument
  46 {
  47 public:
  48         Molecule *mol;
  49
  50         MyDocument();
  51         virtual ~MyDocument();
  52
  53         void SetMolecule(Molecule *mol);
  54         Molecule *GetMolecule() { return mol; }
  55
  56         //  For "register-undo" based undo/redo mechanism
  57         bool isUndoEnabled;
  58         bool isUndoing;
  59         bool isModifyNotificationSent;
  60
  61         wxCommand *currentCommand;
  62         MolAction **undoStack;
  63         int countUndoStack;
  64
  65         int undoGroupLevel;
  66         bool isCleanUndoStackRequested;
  67
  68         bool hasFile;  /*  wxWidgets does not maintain this info for us  */
  69
  70         int subThreadKind;  /*  0: none, 1: MM/MD (mutex is in Molecule structure), 2: QChem (also mutex is in Molecule structure)  */
  71
  72         wxProcess *subProcess;  /*  subprocess object for QChem run  */
  73         long    subProcessPID;
  74         int             (*endSubProcessCallback)(Molecule *mol, int status);
  75         int             (*timerSubProcessCallback)(Molecule *mol, int timerCount);
  76         FILE    *subProcessStdout;  /*  Stdout of the subprocess  */
  77         FILE    *subProcessStderr;  /*  Stderr of the subprocess  */
  78
  79         MainView        *GetMainView() { return (mol != NULL ? mol->mview : NULL); }
  80         void    SetIsUndoing(bool flag) { isUndoing = flag; }
  81         void    SetCurrentCommand(wxCommand *command) { currentCommand = command; }
  82         void    PushUndoAction(MolAction *action);
  83         void    CleanUndoStack(bool shouldRegister = true);
  84         bool    IsUndoEnabled() { return isUndoEnabled; }
  85         void    SetUndoEnabled(bool flag);
  86         void    UpdateModifyFlag();
  87         void    BeginUndoGrouping();
  88         void    EndUndoGrouping();
  89
  90         virtual bool Close();
  91
  92         void    OnNeedCleanUndoStack(wxCommandEvent& event);
  93
  94         void    OnDocumentModified(wxCommandEvent& event);
  95         void    OnImport(wxCommandEvent& event);
  96         void    OnExport(wxCommandEvent& event);
  97         void    OnExportGraphic(wxCommandEvent &event);
  98
  99         void    OnCustomClose(wxCommandEvent &event);
 100
 101         void    OnCopy(wxCommandEvent& event);
 102         void    OnCut(wxCommandEvent& event);
 103         void    OnPaste(wxCommandEvent& event);
 104         void    OnDelete(wxCommandEvent& event);
 105
 106         void    OnCreateNewAtom(wxCommandEvent &event);
 107         void    OnCreateNewParameter(wxCommandEvent &event);
 108         void    OnCreatePiAnchor(wxCommandEvent &event);
 109
 110         void    OnSelectAll(wxCommandEvent& event);
 111         void    OnSelectFragment(wxCommandEvent& event);
 112         void    OnSelectReverse(wxCommandEvent& event);
 113
 114         void    OnAddHydrogen(wxCommandEvent& event);
 115
 116         void    OnFitToScreen(wxCommandEvent& event);
 117         void    OnCenterSelection(wxCommandEvent& event);
 118 //      void    OnShowMenu(wxCommandEvent& event);
 119 //      void    OnToggleLineMode(wxCommandEvent &event);
 120 //      void    OnShowGraphite(wxCommandEvent &event);
 121
 122         void    OnShowAllAtoms(wxCommandEvent &event);
 123         void    OnHideSelected(wxCommandEvent &event);
 124         void    OnHideUnselected(wxCommandEvent &event);
 125         void    OnHideReverse(wxCommandEvent &event);
 126
 127         void    DoMDOrMinimize(int minimize);
 128         void    OnMolecularDynamics(wxCommandEvent &event);
 129         void    OnMinimize(wxCommandEvent &event);
 130         void    OnStopMDRun(wxCommandEvent &event);
 131
 132         long    RunSubProcess(const char *cmd, int (*callback)(Molecule *, int), int (*timerCallback)(Molecule *, int), FILE *output, FILE *errout);
 133         void    OnEndSubProcess(wxProcessEvent &event);
 134         void    FlushSubProcessOutput();
 135
 136 //      void    OnDefinePeriodicBox(wxCommandEvent &event);
 137 //      void    OnShowPeriodicImage(wxCommandEvent &event);
 138 //      void    OnPressureControl(wxCommandEvent &event);
 139 //      void    OnDefineSymmetry(wxCommandEvent &event);
 140 //      void    OnExpandBySymmetry(wxCommandEvent &event);
 141
 142 //      void    OnGuessUFFParameters(wxCommandEvent &event);
 143 //      void    OnInvokeResp(wxCommandEvent &event);
 144 //      void    OnInvokeAntechamber(wxCommandEvent &event);
 145 //      void    OnCreateSanderInput(wxCommandEvent &event);
 146 //      void    OnImportAmberFrcmod(wxCommandEvent &event);
 147
 148 //      void    OnCreateGamessInput(wxCommandEvent &event);
 149 //      void    OnCreateMOPACInput(wxCommandEvent &event);
 150 //      void    OnCreateMOCube(wxCommandEvent &event);
 151
 152         void    OnInsertFrameFromMD(wxCommandEvent &event);
 153         void    OnUpdateDisplay(wxCommandEvent &event);
 154         void    OnSubThreadTerminated(wxCommandEvent &event);
 155         void    OnOpenAuxiliaryDocuments(wxCommandEvent &event);
 156
 157         void    OnUpdateUI(wxUpdateUIEvent &event);
 158
 159         void    TimerCallback(int timerCount);
 160
 161  protected:
 162         virtual bool DoSaveDocument(const wxString& file);
 163         virtual bool DoOpenDocument(const wxString& file);
 164         virtual bool OnCreate(const wxString& path, long flags);
 165         virtual bool Revert();
 166
 167  private:
 168         DECLARE_DYNAMIC_CLASS(MyDocument)
 169         DECLARE_EVENT_TABLE()
 170 };
 171
 172 MyDocument *MyDocumentFromMolecule(Molecule *mp);
 173
 174 #endif