/*************************************************************************** * RasMol 2.7.3 * * * * RasMol * * Molecular Graphics Visualisation Tool * * 6 February 2005 * * * * Based on RasMol 2.6 by Roger Sayle * * Biomolecular Structures Group, Glaxo Wellcome Research & Development, * * Stevenage, Hertfordshire, UK * * Version 2.6, August 1995, Version 2.6.4, December 1998 * * Copyright (C) Roger Sayle 1992-1999 * * * * and Based on Mods by * *Author Version, Date Copyright * *Arne Mueller RasMol 2.6x1 May 98 (C) Arne Mueller 1998 * *Gary Grossman and RasMol 2.5-ucb Nov 95 (C) UC Regents/ModularCHEM * *Marco Molinaro RasMol 2.6-ucb Nov 96 Consortium 1995, 1996 * * * *Philippe Valadon RasTop 1.3 Aug 00 (C) Philippe Valadon 2000 * * * *Herbert J. RasMol 2.7.0 Mar 99 (C) Herbert J. Bernstein * *Bernstein RasMol 2.7.1 Jun 99 1998-2001 * * RasMol 2.7.1.1 Jan 01 * * RasMol 2.7.2 Aug 00 * * RasMol 2.7.2.1 Apr 01 * * RasMol 2.7.2.1.1 Jan 04 * * RasMol 2.7.3 Feb 05 * * * *with RasMol 2.7.3 incorporating changes by Clarice Chigbo, Ricky Chachra,* *and Mamoru Yamanishi. Work on RasMol 2.7.3 supported in part by * *grants DBI-0203064, DBI-0315281 and EF-0312612 from the U.S. National * *Science Foundation and grant DE-FG02-03ER63601 from the U.S. Department * *of Energy. * * * * and Incorporating Translations by * * Author Item Language* * Isabel Servan Martinez, * * Jose Miguel Fernandez Fernandez 2.6 Manual Spanish * * Jose Miguel Fernandez Fernandez 2.7.1 Manual Spanish * * Fernando Gabriel Ranea 2.7.1 menus and messages Spanish * * Jean-Pierre Demailly 2.7.1 menus and messages French * * Giuseppe Martini, Giovanni Paolella, 2.7.1 menus and messages * * A. Davassi, M. Masullo, C. Liotto 2.7.1 help file Italian * * * * This Release by * * Herbert J. Bernstein, Bernstein + Sons, P.O. Box 177, Bellport, NY, USA * * yaya@bernstein-plus-sons.com * * Copyright(C) Herbert J. Bernstein 1998-2005 * * * * READ THE FILE NOTICE FOR RASMOL LICENSES * *Please read the file NOTICE for important notices which apply to this * *package and for license terms (GPL or RASLIC). * ***************************************************************************/ /* raswin.c $Log: raswin.c,v $ Revision 1.1 2004/05/07 19:46:16 yaya Initial revision Revision 1.2 2004/01/26 23:53:12 yaya *** empty log message *** Revision 1.1 2003/12/12 21:10:38 yaya Initial revision Revision 1.2 2001/02/08 01:14:46 yaya *** empty log message *** Revision 1.1 2001/01/31 02:13:45 yaya Initial revision Revision 1.6 2000/08/26 18:12:41 yaya Updates to header comments in all files Revision 1.5 2000/08/13 20:56:25 yaya Conversion from toolbar to menus Revision 1.4 2000/08/09 01:18:13 yaya Rough cut with ucb Revision 1.3 2000/08/03 18:32:42 yaya Parametrization for alt conformer bond radius Revision 1.2 2000/02/23 00:00:00 yaya Prelininary 2.7.2 build */ #define RASMOL #include "rasmol.h" #include #include #include #include #include #include #include #include #include #include #include #include "raswin.idm" #include "molecule.h" #include "abstree.h" #include "graphics.h" #include "pixutils.h" #include "transfor.h" #include "cmndline.h" #include "command.h" #include "render.h" #include "repres.h" #include "outfile.h" #include "multiple.h" #include "vector.h" #include "wbrotate.h" #include "langsel.h" #ifdef SOCKETS #include #define WM_WINSOCK WM_USER+1 #endif /* Microsoft C vs Borland Turbo C */ #ifndef __TURBOC__ #define stricmp _stricmp #define getcwd _getcwd #endif #define TwoPi 2.0*PI #define IsIdentChar(x) ((isalnum(x))||((x)=='_')||((x)=='$')) /*===========================*/ /* Microsoft Windows DDE IPC */ /*===========================*/ #define DefaultDDETimeOut 10000 #define MaxDDEAdviseNum 32 #define MaxDDEConvNum 8 #define ColdLink 0x01 #define WarmLink 0x02 #define HotLink 0x03 #define AckLink 0x04 typedef struct { HWND server; HWND client; Byte closed; } DDEConv; typedef struct { HANDLE data; HWND server; HWND client; ATOM atom; Byte mode; Byte item; Byte wait; } DDEAdvise; static int DDETimeOut; static DDEAdvise DDEAdviseData[MaxDDEAdviseNum]; static DDEConv DDEConvData[MaxDDEConvNum]; static int RasWinDDEReady; static int DDEAdviseCount; static int DDEConvCount; #ifdef SOCKETS /*===============================*/ /* Microsoft Windows Socket IPC */ /*===============================*/ /* Supported Protocols */ #define ProtoRasMol 0x01 typedef struct { SOCKET socket; int protocol; int advise; } IPCConv; #define MaxIPCConvNum 8 static IPCConv IPCConvData[MaxIPCConvNum]; static SOCKET SocketNo; static int ServerPort; static int UseSockets; #endif /*=============================*/ /* Generic Advise Information */ /*=============================*/ #define AMNone 0x00 #define AMPickAtom 0x01 #define AMPickNumber 0x02 #define AMSelectCount 0x04 #define AMMolName 0x08 #define AMPickCoord 0x10 typedef struct { int bitmask; char *name; } AdviseType; static AdviseType AdviseMap[ItemCount] = { { AMPickAtom, "Pick" }, /* AdvPickAtom */ { AMPickNumber, "PickNo" }, /* AdvPickNumber */ { AMSelectCount, "Count" }, /* AdvSelectCount */ { AMMolName, "Name" }, /* AdvName */ { AMNone, "Ident" }, /* AdvIdent */ { AMNone, "Class" }, /* AdvClass */ { AMNone, "Image" }, /* AdvImage */ { AMPickCoord, "PickXYZ" } /* AdvPickCoord */ }; static char AdviseBuffer[256]; static int AdviseLen; /*================================*/ /* Command Line Terminal Emulator */ /*================================*/ #define CmndSize (CmndRows*CmndCols) #define ScrlMax 80 #define CmndRows 160 #define CmndCols 80 static int CmndStart; static int ScrlStart; static int TermCursor; static int CharWide,CharHigh; static int TermXPos,TermYPos; static int TermRows,TermCols; static char __far *TermScreen; static HFONT TermFont; static HWND CmndWin; static int PointX,PointY; static int InitX,InitY; static int HeldButton; static int FileFormat; static char snamebuf[128]; static char fnamebuf[128]; static char ifilters[512]; static char ofilters[512]; static OPENFILENAME ofn1; static OPENFILENAME ofn2; static HINSTANCE hInstance; static char Text[256]; #ifdef _WIN32 LRESULT CALLBACK MainCallB(HWND, UINT, WPARAM, LPARAM); LRESULT CALLBACK CmndCallB(HWND, UINT, WPARAM, LPARAM); LRESULT CALLBACK DDECallB( HWND, UINT, WPARAM, LPARAM); BOOL CALLBACK AboutCallB( HWND, UINT, WPARAM, LPARAM); BOOL CALLBACK InfoCallB( HWND, UINT, WPARAM, LPARAM); #else LONG FAR PASCAL MainCallB( HWND, UINT, WPARAM, LPARAM); LONG FAR PASCAL CmndCallB( HWND, UINT, WPARAM, LPARAM); LONG FAR PASCAL DDECallB( HWND, UINT, WPARAM, LPARAM); BOOL FAR PASCAL AboutCallB(HWND, UINT, WPARAM, LPARAM); BOOL FAR PASCAL InfoCallB( HWND, UINT, WPARAM, LPARAM); #endif static void CloseDDELinks( void ) { register long alarm; register int i; MSG message; for( i=0; i alarm ) { for( i=0; i0 ) { TermXPos--; if( TermCursor ) SetCaretPos(TermXPos*CharWide, TermYPos*CharHigh); } break; case(0x0D): if( TermXPos ) { if( TermCursor ) SetCaretPos(0,TermYPos*CharHigh); TermXPos=0; } break; case(0x0A): if( TermYPos==TermRows-1 ) { CmndStart++; if( CmndStart == CmndRows ) CmndStart = 0; i = TermYPos + CmndStart; if( i >= CmndRows ) i -= CmndRows; _fmemset(TermScreen+i*CmndCols,' ',CmndCols); InvalidateRect(CmndWin,NULL,FALSE); } else TermYPos++; TermXPos = 0; if( TermCursor ) SetCaretPos(0,TermYPos*CharHigh); UpdateWindow(CmndWin); break; default: i = TermYPos + CmndStart; if( i >= CmndRows ) i -= CmndRows; TermScreen[i*CmndCols+TermXPos]=ch; if( TermXPos < TermCols ) { rect.top = TermYPos*CharHigh; rect.left = TermXPos*CharWide; rect.bottom = rect.top+CharHigh; rect.right = rect.left+CharWide; InvalidateRect(CmndWin,&rect,FALSE); } if( TermXPos==CmndCols-1 ) { if( TermYPos==TermRows-1 ) { CmndStart++; if( CmndStart == CmndRows ) CmndStart = 0; i = TermYPos + CmndStart; if( i >= CmndRows ) i -= CmndRows; _fmemset(TermScreen+i*CmndCols,' ',CmndCols); InvalidateRect(CmndWin,NULL,FALSE); } else TermYPos++; TermXPos=0; } else TermXPos++; if( TermCursor ) SetCaretPos(TermXPos*CharWide, TermYPos*CharHigh); break; } } void WriteString( char *ptr ) { while( *ptr ) WriteChar(*ptr++); } static int InitTerminal( HANDLE instance ) { TEXTMETRIC Text; LOGFONT LogFont; long style; RECT rect; HDC hDC; LogFont.lfHeight = 12; LogFont.lfWidth = 8; LogFont.lfEscapement = 0; LogFont.lfWeight = 0; LogFont.lfItalic = 0; LogFont.lfUnderline = 0; LogFont.lfStrikeOut = 0; LogFont.lfCharSet = ANSI_CHARSET; LogFont.lfOutPrecision = OUT_DEFAULT_PRECIS; LogFont.lfClipPrecision = CLIP_DEFAULT_PRECIS; LogFont.lfQuality = PROOF_QUALITY; LogFont.lfPitchAndFamily = FIXED_PITCH | FF_SWISS; LogFont.lfFaceName[0] = '\0'; TermFont = CreateFontIndirect(&LogFont); /* TermFont = GetStockObject(ANSI_FIXED_FONT); */ /* Default Window Size */ TermCols = 80; TermRows = 24; ScrlStart = CmndStart = 0; TermXPos = TermYPos = 0; TermScreen = (char __far*)_fmalloc(CmndSize*sizeof(char)); if( !TermScreen ) return( False ); _fmemset(TermScreen,' ',CmndSize); TermCursor = False; hDC = GetDC(NULL); SelectObject(hDC,TermFont); GetTextMetrics(hDC,&Text); ReleaseDC(NULL,hDC); CharWide = Text.tmAveCharWidth; CharHigh = Text.tmHeight + Text.tmExternalLeading; rect.top = 0; rect.bottom = TermRows*CharHigh; rect.left = 0; rect.right = TermCols*CharWide; style = WS_OVERLAPPEDWINDOW | WS_VSCROLL; AdjustWindowRect(&rect,style,False); #ifdef WS_EX_CLIENTEDGE CmndWin = CreateWindowEx(WS_EX_CLIENTEDGE, "RasCliClass", "RasMol Command Line", style, CW_USEDEFAULT, CW_USEDEFAULT, rect.right-rect.left, rect.bottom-rect.top, NULL, NULL, instance, NULL ); #else CmndWin = CreateWindow("RasCliClass", "RasMol Command Line", style, CW_USEDEFAULT, CW_USEDEFAULT, rect.right-rect.left, rect.bottom-rect.top, NULL, NULL, instance, NULL ); #endif if( !CmndWin ) return( False ); SetScrollRange(CmndWin,SB_VERT,0,ScrlMax,FALSE); SetScrollPos(CmndWin,SB_VERT,ScrlMax,FALSE); ShowWindow(CmndWin,SW_SHOWMINNOACTIVE); return True; } static void PaintScreen( void ) { int SRow,ERow,SCol,ECol; register char __far *ptr; register int row,len; register int x,y; PAINTSTRUCT ps; HFONT font; RECT rect; HDC hDC; hDC = BeginPaint(CmndWin,&ps); font = SelectObject(hDC,TermFont); SetBkColor(hDC,GetSysColor(COLOR_WINDOW)); SetTextColor(hDC,RGB(0,0,0)); SetBkMode(hDC,OPAQUE); SRow = ps.rcPaint.top/CharHigh; if( SRow >= TermRows ) { SRow = TermRows-1; } else if( SRow < 0 ) SRow = 0; ERow = ps.rcPaint.bottom/CharHigh; if( ERow >= TermRows ) { ERow = TermRows-1; } else if( ERow < 0 ) ERow = 0; SCol = ps.rcPaint.left/CharWide; if( SCol >= TermCols ) { SCol = TermCols-1; } else if( SCol < 0 ) SCol = 0; ECol = ps.rcPaint.right/CharWide; if( ECol >= TermCols ) { ECol = TermCols-1; } else if( ECol < 0 ) ECol = 0; len = ECol-SCol+1; x = SCol*CharWide; y = SRow*CharHigh; rect.right = x+len*CharWide; rect.left = x; SRow += CmndStart - ScrlStart; if( SRow >= CmndRows ) { SRow -= CmndRows; } else if( SRow < 0 ) SRow += CmndRows; ERow += CmndStart - ScrlStart; if( ERow >= CmndRows ) { ERow -= CmndRows; } else if( ERow < 0 ) ERow += CmndRows; row = SRow; ptr = TermScreen + CmndCols*row + SCol; while( True ) { rect.top = y; rect.bottom = y+CharHigh; ExtTextOut(hDC,x,y,ETO_OPAQUE|ETO_CLIPPED, &rect,ptr,len,NULL); if( row != ERow ) { ptr += CmndCols; row++; if( row == CmndRows ) { ptr = TermScreen + SCol; row = 0; } } else break; y += CharHigh; } SelectObject(hDC,font); EndPaint(CmndWin,&ps); if( TermCursor ) { row = TermYPos + ScrlStart; if( row < TermRows ) { SetCaretPos(TermXPos*CharWide,row*CharHigh); ShowCaret(CmndWin); } else HideCaret(CmndWin); } } static void DetermineHostInfo( void ) { #ifdef _WIN32 auto OSVERSIONINFO osinfo; auto SYSTEM_INFO sysinfo; register char *winver; register char *cpu; register int count; osinfo.dwOSVersionInfoSize = sizeof(OSVERSIONINFO); #ifdef XPROCARCH GetVersionEx(&osinfo); if( osinfo.dwPlatformId == VER_PLATFORM_WIN32_NT ) { winver = "Windows NT"; } else if( osinfo.dwPlatformId == VER_PLATFORM_WIN32_WINDOWS ) { winver = "Windows95"; } else if( osinfo.dwPlatformId == VER_PLATFORM_WIN32s ) { winver = "Win32s"; } else winver = "Win32"; #else winver = "Windows"; #endif #ifdef XPROCARCH if( osinfo.dwPlatformId == VER_PLATFORM_WIN32_NT ) { GetSystemInfo(&sysinfo); switch( sysinfo.wProcessorArchitecture ) { case PROCESSOR_ARCHITECTURE_INTEL: switch( sysinfo.wProcessorLevel ) { case 3: cpu = "Intel 386"; break; case 4: cpu = "Intel 486"; break; case 5: cpu = "Intel Pentium"; break; default: cpu = "Unknown Intel"; break; } break; case PROCESSOR_ARCHITECTURE_MIPS: switch( sysinfo.wProcessorLevel ) { case 1: cpu = "MIPS R2000"; break; case 2: cpu = "MIPS R3000"; break; case 3: cpu = "MIPS R6000"; break; case 4: cpu = "MIPS R4000"; break; case 6: cpu = "MIPS R6000A"; break; case 9: cpu = "MIPS R10000"; break; case 10: cpu = "MIPS R4200"; break; case 11: cpu = "MIPS R4300"; break; case 16: cpu = "MIPS R8000"; break; case 32: cpu = "MIPS R4600"; break; case 33: cpu = "MIPS R4700"; break; case 34: cpu = "MIPS R4650"; break; case 35: cpu = "MIPS R5000"; break; default: cpu = "Unknown MIPS"; break; } break; case PROCESSOR_ARCHITECTURE_ALPHA: switch( sysinfo.wProcessorLevel ) { case 21064: cpu = "Alpha 21064"; break; case 21066: cpu = "Alpha 21066"; break; case 21164: cpu = "Alpha 21164"; break; default: cpu = "Unknown Alpha"; break; } break; case PROCESSOR_ARCHITECTURE_PPC: switch( sysinfo.wProcessorLevel ) { case 1: cpu = "PPC 601"; break; case 3: cpu = "PPC 603"; break; case 4: cpu = "PPC 604"; break; case 6: cpu = "PPC 603+"; break; case 9: cpu = "PPC 604+"; break; case 20: cpu = "PPC 620"; break; default: cpu = "Unknown PPC"; break; } break; default: cpu = "unrecognised"; break; } } else /* Windows 95 or Windows98 */ { #endif GetSystemInfo(&sysinfo); switch( sysinfo.dwProcessorType ) { case (386): cpu = "Intel 386"; break; case (486): cpu = "Intel 486"; break; case (586): cpu = "Intel Pentium"; break; case (860): cpu = "Intel i860"; break; case (2000): cpu = "MIPS R2000"; break; case (3000): cpu = "MIPS R3000"; break; case (4000): cpu = "MIPS R4000"; break; case (4400): cpu = "MIPS R4400"; break; case (4600): cpu = "MIPS R4600"; break; case (5000): cpu = "MIPS R5000"; break; case (8000): cpu = "MIPS R8000"; break; case (10000): cpu = "MIPS R10000"; break; case (21064): cpu = "DEC Alpha 21064"; break; case (21066): cpu = "DEC Alpha 21066"; break; case (21164): cpu = "DEC Alpha 21164"; break; default: cpu = "unrecognised"; } #ifdef XPROCARCH } #endif count = sysinfo.dwNumberOfProcessors; if( count > 1 ) { sprintf(Text,"%s on %d %s CPUs\n",winver,count,cpu); } else sprintf(Text,"%s on a single %s CPU",winver,cpu); #else register DWORD flags; register char *cpu; flags = GetWinFlags(); if( flags & WF_CPU286 ) { cpu = "286"; } else if( flags & WF_CPU386 ) { cpu = "386"; } else cpu = "486"; if( !(flags&WF_80x87) ) { sprintf(Text,"%s without maths coprocessor",cpu); } else sprintf(Text,"%s with maths coprocessor",cpu); #endif } #ifdef _WIN32 BOOL CALLBACK AboutCallB( HWND hWin, UINT uMsg, WPARAM wArg, LPARAM lArg ) #else BOOL FAR PASCAL AboutCallB( HWND hWin, UINT uMsg, WPARAM wArg, LPARAM lArg ) #endif { UnusedArgument(lArg); switch(uMsg) { case(WM_INITDIALOG): DetermineHostInfo(); SetDlgItemText(hWin,IDD_HARDWARE,Text); return TRUE; case(WM_COMMAND): #ifdef _WIN32 if( LOWORD(wArg) == IDOK ) #else if( wArg == IDOK ) #endif { EndDialog(hWin,TRUE); return TRUE; } break; } return 0; } static void DisplayMoleculeInfo( HWND hWin ) { register int line; register int len; line = IDD_INFOTEXT; if( *Info.moleculename ) { sprintf(Text," %s%s",MsgStrs[StrMolNam],Info.moleculename); SetDlgItemText(hWin,line++,Text); } if( *Info.classification ) { sprintf(Text," %s%s",MsgStrs[StrClass],Info.classification); SetDlgItemText(hWin,line++,Text); } if( *Info.identcode ) { sprintf(Text," %s%s",MsgStrs[StrDBCode],Info.identcode); SetDlgItemText(hWin,line++,Text); } if( Info.chaincount>1 ) { sprintf(Text," %s%d",MsgStrs[StrNumChn],Info.chaincount); SetDlgItemText(hWin,line++,Text); } len = sprintf(Text," %s%d",MsgStrs[StrNumGrp],MainGroupCount); if( HetaGroupCount ) sprintf(Text+len," (%d)",HetaGroupCount); SetDlgItemText(hWin,line++,Text); len = sprintf(Text," %s%ld",MsgStrs[StrNumAtm],MainAtomCount); if( HetaAtomCount ) sprintf(Text+len," (%d)",HetaAtomCount); SetDlgItemText(hWin,line++,Text); sprintf(Text," %s%ld",MsgStrs[StrNumBnd],Info.bondcount); SetDlgItemText(hWin,line++,Text); } #ifdef _WIN32 BOOL CALLBACK InfoCallB( HWND hWin, UINT uMsg, WPARAM wArg, LPARAM lArg ) #else BOOL FAR PASCAL InfoCallB( HWND hWin, UINT uMsg, WPARAM wArg, LPARAM lArg ) #endif { UnusedArgument(lArg); switch(uMsg) { case(WM_INITDIALOG): DisplayMoleculeInfo(hWin); return TRUE; case(WM_COMMAND): #ifdef _WIN32 if( LOWORD(wArg) == IDOK ) #else if( wArg == IDOK ) #endif { EndDialog(hWin,TRUE); return TRUE; } break; } return 0; } static char *GetItemName( int item ) { switch( item ) { case 0: return (char*)0; case -1: return "Topics"; case -2: return "SysItems"; case -3: return "Formats"; case -4: return "Status"; case -5: return "Items"; } if( item <= ItemCount ) return AdviseMap[item-1].name; return ""; } static HANDLE RenderClipboard( WPARAM format ) { register BITMAPINFO __far *bitmap; register Pixel __huge *src; register Pixel __huge *dst; register HANDLE result; register long size,len; register int i; if( format==CF_PALETTE ) { if( ColourMap ) { return CreatePalette(Palette); } else return NULL; } if( !PixMap || (format!=CF_DIB) ) return NULL; len = (long)XRange*YRange*sizeof(Pixel); size = sizeof(BITMAPINFOHEADER) + 256*sizeof(RGBQUAD); if( !(result=GlobalAlloc(GHND,size+len)) ) return NULL; bitmap = (BITMAPINFO __far *)GlobalLock(result); bitmap->bmiHeader.biSize = sizeof(BITMAPINFOHEADER); bitmap->bmiHeader.biWidth = XRange; bitmap->bmiHeader.biHeight = YRange; bitmap->bmiHeader.biPlanes = 1; bitmap->bmiHeader.biBitCount = 8; bitmap->bmiHeader.biCompression = BI_RGB; bitmap->bmiHeader.biSizeImage = len; bitmap->bmiHeader.biXPelsPerMeter = 0; bitmap->bmiHeader.biYPelsPerMeter = 0; bitmap->bmiHeader.biClrImportant = 0; bitmap->bmiHeader.biClrUsed = 0; for( i=0; i<256; i++ ) if( ULut[i] ) { bitmap->bmiColors[Lut[i]].rgbBlue = BLut[i]; bitmap->bmiColors[Lut[i]].rgbGreen = GLut[i]; bitmap->bmiColors[Lut[i]].rgbRed = RLut[i]; } src = (Pixel __huge*)GlobalLock(FBufHandle); dst = ((Pixel __huge*)bitmap)+size; /* Transfer the frame buffer */ while( len-- ) *dst++ = *src++; GlobalUnlock(FBufHandle); GlobalUnlock(result); return result; } static void SendItemData( HWND hSrc, HWND hDst, int mode, int item, int advise ) { DDEDATA FAR *data; HANDLE FAR *hImage; HANDLE hData; LPARAM lArg; ATOM atom; register char __far *dest; register char *src, *dst; register char *name; register Long len; register int i; name = GetItemName(item); if( mode == WarmLink ) { atom = GlobalAddAtom(name); #ifdef _WIN32 lArg = PackDDElParam(WM_DDE_DATA,0,atom); #else lArg = MAKELONG(0,atom); #endif if( !PostMessage(hDst,WM_DDE_DATA,(WPARAM)hSrc,lArg) ) GlobalDeleteAtom(atom); return; } dst = AdviseBuffer; switch( (item<0)? item : item-1 ) { case(-1): /* Topics */ src="System\tRemoteControl"; while( *dst++ = *src++ ); break; case(-2): /* SysItems */ src = "Topics\tSysItems\tFormats\tStatus\tItems"; while( *dst++ = *src++ ); break; case(-3): /* Formats */ src = "DIB\tTEXT\tPalette\tLink"; while( *dst++ = *src++ ); break; case(-4): /* Status */ src = RasWinDDEReady? "Ready" : "Busy"; while( *dst++ = *src++ ); break; case(-5): /* Items */ for( i=0; irefno]; if( src[0]!=' ' ) *dst++ = src[0]; *dst++ = src[1]; *dst++ = src[2]; sprintf(dst,"%d",QGroup->serno); for( dst=Text; *dst; dst++ ); if( QChain->ident!=' ' ) { *dst++ = ':'; *dst++ = QChain->ident; } *dst++ = '.'; src = ElemDesc[QAtom->refno]; if( src[0]!=' ' ) *dst++ = src[0]; *dst++ = src[1]; *dst++ = src[2]; if( src[3]!=' ' ) *dst++ = src[3]; } *dst = '\0'; break; case(AdvPickNumber): if( QAtom ) { sprintf(dst,"%d",QAtom->serno); } else *dst = '\0'; break; case(AdvSelectCount): sprintf(dst,"%ld",SelectCount); break; case(AdvName): src = Info.moleculename; while( *dst++ = *src++ ); break; case(AdvPickCoord): if( QAtom ) { sprintf( dst, "%ld\t%ld\t%ld", QAtom->xorg+QAtom->fxorg, #ifdef INVERT -(QAtom->yorg+QAtom->fxorg), #else QAtom->yorg+QAtom->fyorg, #endif -(QAtom->zorg+QAtom->fzorg)); } else *dst = '\0'; break; default: *dst = '\0'; break; } len = sizeof(DDEDATA); if( item == AdvImage ) { len += sizeof(HANDLE); AdviseLen = 0; } else { AdviseLen = strlen(AdviseBuffer)+1; len += AdviseLen; } if( hData = GlobalAlloc(GHND|GMEM_DDESHARE,len) ) { if( data = (DDEDATA FAR*)GlobalLock(hData) ) { data->fResponse = (mode!=AckLink); data->fAckReq = (mode==ColdLink); data->fRelease = True; if( item == AdvImage ) { data->cfFormat = CF_DIB; hImage = (HANDLE __far*)&data->Value[0]; *hImage = RenderClipboard(CF_DIB); } else { data->cfFormat = CF_TEXT; dest = (char __far*)&data->Value[0]; memcpy(dest,AdviseBuffer,len+1); /* Correctly terminate the data string */ /* *dest++ = '\r'; *dest++ = '\n'; */ } GlobalUnlock(hData); atom = GlobalAddAtom(name); #ifdef _WIN32 lArg = PackDDElParam(WM_DDE_DATA,(UINT)hData,(UINT)atom); #else lArg = MAKELONG((UINT)hData,(UINT)atom); #endif if( PostMessage(hDst,WM_DDE_DATA,(WPARAM)hSrc,lArg) ) { if( mode==AckLink ) { SetTimer( hSrc, (UINT)hDst, DDETimeOut, NULL ); DDEAdviseData[advise].data = hData; DDEAdviseData[advise].atom = atom; DDEAdviseData[advise].wait = True; } return; } GlobalDeleteAtom(atom); } GlobalFree(hData); } } static int GetItemNumber( ATOM atom ) { register int i; GlobalGetAtomName(atom,Text,240); for( i=1; i<6; i++ ) if( !stricmp(Text,GetItemName(-i)) ) return -i; for( i=0; irefno]; flag = False; for( i=0; i<3; i++ ) if( (src[i]!=' ') && !isalpha(src[i]) ) flag = True; if( flag ) *dst++ = '['; for( i=0; i<3; i++ ) if( src[i]!=' ' ) *dst++ = src[i]; if( flag ) *dst++ = ']'; sprintf(dst,"%d",QGroup->serno); for( dst=AdviseBuffer; *dst; dst++ ); if( QChain->ident!=' ' ) { if( isdigit(QChain->ident) ) *dst++ = ':'; *dst++ = QChain->ident; } *dst++ = '.'; src = ElemDesc[QAtom->refno]; for( i=0; i<4; i++ ) if( src[i]!=' ' ) *dst++ = src[i]; } *dst++ = '\n'; *dst = '\0'; break; case(AdvPickNumber): if( !QAtom ) { *dst++ = '\n'; *dst = '\0'; } else sprintf(dst,"%ld\n",(long)QAtom->serno); break; case(AdvSelectCount): sprintf(dst,"%ld\n",(long)SelectCount); break; case(AdvName): src = Info.moleculename; while( *src ) *dst++ = *src++; *dst++ = '\n'; *dst = '\0'; break; case(AdvPickCoord): if( !QAtom ) { *dst++ = '\n'; *dst = '\0'; } else sprintf( dst, "%ld\t%ld\t%ld\n", (long)(QAtom->xorg+QAtom->fxorg), #ifdef INVERT -(long)(QAtom->yorg+QAtom->fyorg), #else (long)(QAtom->yorg+QAtom->fyorg), #endif -(long)(QAtom->zorg+QAtom->fzorg)); break; default: *dst++ = '\n'; *dst = '\0'; break; } AdviseLen = strlen(AdviseBuffer)+1; } #endif void AdviseUpdate( int item ) { register DDEAdvise *ptr; register int i; #ifdef SOCKETS register int mask; if( (item>=0) && UseSockets ) { mask = AdviseMap[item].bitmask; if( mask ) { AdviseLen = 0; for( i=0; i= 0 ) item++; ptr = DDEAdviseData; for( i=0; iserver && (ptr->item==(Byte)item) && !ptr->wait ) SendItemData(ptr->server,ptr->client,ptr->mode,item,i); ptr++; } } } void RefreshScreen( void ) { ReDrawFlag &= ~RFTransZ; if( ReDrawFlag ) { if( RasWinDDEReady ) { RasWinDDEReady = False; AdviseUpdate( -4 ); } if( ReDrawFlag & RFReSize ) ReSizeScreen(); if( ReDrawFlag & RFColour ) { ClearImage(); DefineColourMap(); } if( Database ) { BeginWait(); if( ReDrawFlag & RFApply ) ApplyTransform(); DrawFrame(); TransferImage(); EndWait(); } else { ClearBuffers(); TransferImage(); } ReDrawFlag = 0; } } static void GenerateDDEReply( HWND hDst, HWND hSrc, int flag, UINT data ) { register LPARAM lArg; #ifdef _WIN32 lArg = PackDDElParam(WM_DDE_ACK,(flag?0x8000:0),data); #else lArg = MAKELPARAM((flag?0x8000:0),data); #endif PostMessage( (HWND)hDst, WM_DDE_ACK, (WPARAM)hSrc, lArg ); } #ifdef _WIN32 LRESULT CALLBACK DDECallB( HWND hWin, UINT uMsg, WPARAM wArg, LPARAM lArg ) #else LONG FAR PASCAL DDECallB( HWND hWin, UINT uMsg, WPARAM wArg, LPARAM lArg ) #endif { DDEADVISE FAR *options; auto UINT loword; auto UINT hiword; HWND hDest; register DDEConv *ptr; register char __huge *cmnd; register int item, stat; register int format,i; register int flag; switch( uMsg ) { case( WM_TIMER ): KillTimer( hWin, wArg ); for( i=0; icfFormat == format ) { for( i=0; ifDeferUpd ) { DDEAdviseData[i].mode = WarmLink; } else if( options->fAckReq ) { DDEAdviseData[i].mode = AckLink; } else DDEAdviseData[i].mode = HotLink; GenerateDDEReply((HWND)wArg,hWin,True,hiword); /* We could advise client of the current item value! */ /* SendItemData(hWin,hDest,DDEAdviseData[i].mode,item,i); */ } else GenerateDDEReply((HWND)wArg,hWin,False,hiword); GlobalUnlock((HGLOBAL)loword); return 0L; case( WM_DDE_EXECUTE ): #ifdef _WIN32 hiword = lArg; #else hiword = HIWORD(lArg); #endif cmnd = (char __huge*)GlobalLock((HANDLE)hiword); if( !cmnd ) { GenerateDDEReply((HWND)wArg,hWin,False,hiword); return 0L; } stat = ExecuteIPCCommand( cmnd ); GlobalUnlock((HANDLE)hiword); GenerateDDEReply((HWND)wArg,hWin,stat,hiword); if( (stat==IPC_Quit) || (stat==IPC_Exit) ) RasMolExit(); if( ReDrawFlag ) RefreshScreen(); if( !CommandActive ) ResetCommandLine(0); return 0L; case( WM_DDE_TERMINATE ): /* Destroy all Hot/Warm Links */ for( i=0; iclosed ) PostMessage( ptr->client, WM_DDE_TERMINATE, (WPARAM)ptr->server, 0L ); DestroyWindow( ptr->server ); ptr->server = NULL; DDEConvCount--; break; } return 0L; default: return DefWindowProc(hWin,uMsg,wArg,lArg); } } /* [GSG 11/16/95] */ void SetHScroll(int pos) { float temp = (pos/50.0)-1.0; if ( (RotMode == RotBond) && BondSelected) BondSelected->BRotValue = temp; else if ( RotMode == RotAll ) WRotValue[1] = temp; else DialValue[1] = temp; ReDrawFlag |= RFRotateY; } void SetVScroll(int pos) { float temp = 1.0-(pos/50.0); if ( RotMode == RotAll ) WRotValue[0] = temp; else DialValue[0] = temp; ReDrawFlag |= RFRotateX; } static void ResizeTerminal( int x, int y ) { register int rows, cols; register int sr, er; HBRUSH hBr; RECT rect; HDC hDC; if( x > CharWide ) { cols = x/CharWide; } else cols = 1; if( y > CharHigh ) { rows = y/CharHigh; } else rows = 1; /* Scroll to bottom! */ if( ScrlStart ) SetTermScroll( ScrlMax ); if( rows < TermRows ) { if( TermYPos >= rows ) { CmndStart += (TermYPos - rows) + 1; if( CmndStart >= CmndRows ) CmndStart -= CmndRows; TermYPos = rows - 1; hDC = GetDC(CmndWin); GetClientRect(CmndWin,&rect); hBr = CreateSolidBrush(GetSysColor(COLOR_WINDOW)); FillRect(hDC,&rect,hBr); ReleaseDC(CmndWin,hDC); } } else if( rows > TermRows ) { sr = TermRows + CmndStart; if( sr >= CmndRows ) sr -= CmndRows; er = CmndStart + rows; if( er >= CmndRows ) er -= CmndRows; do { _fmemset(TermScreen+sr*CmndCols,' ',CmndCols); sr++; if( sr == CmndRows ) sr = 0; } while( sr != er ); } InvalidateRect(CmndWin,NULL,False); if( cols > CmndCols ) { TermCols = CmndCols; } else TermCols = cols; TermRows = rows; } #ifdef _WIN32 LRESULT CALLBACK CmndCallB( HWND hWin, UINT uMsg, WPARAM wArg, LPARAM lArg ) #else LONG FAR PASCAL CmndCallB( HWND hWin, UINT uMsg, WPARAM wArg, LPARAM lArg ) #endif { register int row; switch(uMsg) { case(WM_CLOSE): DestroyWindow(CanvWin); DestroyWindow(CmndWin); CommandActive = True; ReDrawFlag = False; break; case(WM_DESTROY): /* Destroy RasWin */ PostQuitMessage(0); break; case(WM_SYSCHAR): if( lArg & (1L<<29) ) /* ALT-key pressed? */ return(DefWindowProc(hWin,uMsg,wArg,lArg)); case(WM_CHAR): if( ProcessCharacter(LOBYTE(wArg)) ) if( ExecuteCommand() ) RasMolExit(); break; case(WM_PAINT): PaintScreen(); return(0L); case(WM_SYSKEYDOWN): case(WM_KEYDOWN): switch(LOBYTE(wArg)) { case(0x23): ProcessCharacter(0x05); break; case(0x24): ProcessCharacter(0x01); break; case(0x25): ProcessCharacter(0x02); break; case(0x26): ProcessCharacter(0x10); break; case(0x27): ProcessCharacter(0x06); break; case(0x28): ProcessCharacter(0x0e); break; case(0x2e): ProcessCharacter(0x04); break; default: return(DefWindowProc(hWin,uMsg,wArg,lArg)); } break; case(WM_SETFOCUS): if( !TermCursor ) { CreateCaret(hWin,NULL,CharWide,CharHigh); TermCursor = True; } row = TermYPos + ScrlStart; if( row < TermRows ) { SetCaretPos(TermXPos*CharWide,row*CharHigh); ShowCaret(hWin); } else HideCaret(hWin); return(0L); case(WM_SIZE): if( wArg != SIZE_MINIMIZED ) ResizeTerminal(LOWORD(lArg),HIWORD(lArg)); return(0L); case(WM_KILLFOCUS): if( TermCursor ) { TermCursor=False; HideCaret(hWin); DestroyCaret(); } return(0L); case(WM_VSCROLL): #ifdef _WIN32 switch( LOWORD(wArg) ) #else switch( wArg ) #endif { case(SB_TOP): SetTermScroll(0); break; case(SB_BOTTOM): SetTermScroll(ScrlMax); break; case(SB_LINEUP): if( ScrlStart < ScrlMax ) SetTermScroll((ScrlMax-ScrlStart)-1); break; case(SB_LINEDOWN): if( ScrlStart > 0 ) SetTermScroll((ScrlMax-ScrlStart)+1); break; case(SB_PAGEUP): if( ScrlStart < (ScrlMax-10) ) { SetTermScroll((ScrlMax-ScrlStart)-10); } else SetTermScroll(0); break; case(SB_PAGEDOWN): if( ScrlStart > 10 ) { SetTermScroll((ScrlMax-ScrlStart)+10); } else SetTermScroll(ScrlMax); break; case(SB_THUMBTRACK): case(SB_THUMBPOSITION): #ifdef _WIN32 SetTermScroll(HIWORD(wArg)); #else SetTermScroll(LOWORD(lArg)); #endif break; } break; default: return DefWindowProc(hWin,uMsg,wArg,lArg); } if( ReDrawFlag ) RefreshScreen(); if( !CommandActive ) ResetCommandLine(0); return 0L; } static void LoadInputFile( int format ) { register char *ext; register int num; switch( format ) { case(FormatPDB): ext = "PDB"; num = 1; break; case(FormatAlchemy): ext = "MOL"; num = 2; break; case(FormatMol2): ext = "MOL"; num = 3; break; case(FormatMDL): ext = "MOL"; num = 4; break; case(FormatXYZ): ext = "XYZ"; num = 5; break; case(FormatCharmm): ext = "CHM"; num = 6; break; case(FormatMOPAC): ext = "MOP"; num = 7; break; case(FormatCIF): ext = "CIF"; num = 8; break; } ofn1.nFilterIndex = num; ofn1.lpstrDefExt = ext; *fnamebuf = '\0'; if( GetOpenFileName(&ofn1) ) { switch( ofn1.nFilterIndex ) { case(1): FetchFile(FormatPDB,False,fnamebuf); break; case(2): FetchFile(FormatAlchemy,False,fnamebuf); break; case(3): FetchFile(FormatMol2,False,fnamebuf); break; case(4): FetchFile(FormatMDL,False,fnamebuf); break; case(5): FetchFile(FormatXYZ,False,fnamebuf); break; case(6): FetchFile(FormatCharmm,False,fnamebuf); break; case(7): FetchFile(FormatMOPAC,False,fnamebuf); break; case(8): FetchFile(FormatCIF,False,fnamebuf); break; } DefaultRepresentation(); } } static void SaveOutputFile( int format ) { register char *ext; register int num; switch( format ) { case(IDM_BMP): ext="BMP"; num=1; break; case(IDM_GIF): ext="GIF"; num=2; break; case(IDM_EPSF): ext="PS"; num=3; break; case(IDM_PPM): ext="PPM"; num=6; break; case(IDM_RAST): ext="RAS"; num=10; break; } ofn2.nFilterIndex = num; ofn2.lpstrDefExt = ext; *fnamebuf = '\0'; /* Default Filename * dst = fnamebuf; * for( src="RASWIN."; *src; src++ ) *dst++ = *src; * for( src=ext; *src; src++ ) *dst++ = *src; * *dst++ = '\0'; */ if( GetSaveFileName(&ofn2) ) switch( ofn2.nFilterIndex ) { case(1): WriteBMPFile(fnamebuf); break; case(2): WriteGIFFile(fnamebuf); break; case(3): WriteEPSFFile(fnamebuf,True,True); break; case(4): WriteEPSFFile(fnamebuf,False,True); break; case(5): WriteVectPSFile(fnamebuf); break; case(6): WritePPMFile(fnamebuf,True); break; case(7): WritePPMFile(fnamebuf,False); break; case(8): WritePICTFile(fnamebuf); break; case(9): WriteIRISFile(fnamebuf); break; case(10): WriteRastFile(fnamebuf,True); break; case(11): WriteRastFile(fnamebuf,False); break; } } static void HandlePrintSetUp( void ) { PRINTDLG pd; memset(&pd,0,sizeof(PRINTDLG)); pd.lStructSize = sizeof(PRINTDLG); pd.hwndOwner = CanvWin; pd.Flags = PD_PRINTSETUP; PrintDlg(&pd); if( pd.hDevNames ) GlobalFree(pd.hDevNames); if( pd.hDevMode ) GlobalFree(pd.hDevMode); } static BOOL HandleMenu( WPARAM option ) { #ifndef _WIN32 register FARPROC lpProc; #endif register char *src, *dst; register int mask; switch(option) { /* File Menu */ case(IDM_OPEN): if( NumMolecules < MAX_MOLECULES ) LoadInputFile(FormatPDB); break; case(IDM_INFO): #ifdef _WIN32 DialogBox(hInstance,"InfoBox",CanvWin,InfoCallB); #else lpProc = MakeProcInstance(InfoCallB,hInstance); DialogBox(hInstance,"InfoBox",CanvWin,lpProc); FreeProcInstance(lpProc); #endif break; case(IDM_CLOSE): ZapDatabase(); break; case(IDM_PRINT): if( !PrintImage() ) { if( CommandActive ) WriteChar('\n'); WriteString("Warning: No suitable printer!\n"); CommandActive = False; } break; case(IDM_SETUP): HandlePrintSetUp(); break; case(IDM_EXIT): PostMessage(CanvWin,WM_CLOSE,0,0L); break; case(IDM_MOL1): /* Molecule 1 */ case(IDM_MOL2): /* Molecule 2 */ case(IDM_MOL3): /* Molecule 3 */ case(IDM_MOL4): /* Molecule 4 */ case(IDM_MOL5): /* Molecule 5 */ SelectMolecule(option-IDM_MOL1); break; /* Edit Menu */ case(IDM_SELECT): mask = NormAtomFlag; if( HetaGroups ) mask |= HeteroFlag; if( Hydrogens ) mask |= HydrogenFlag; SelectZone(mask); break; case(IDM_COPY): if( !ClipboardImage() ) { if( CommandActive ) WriteChar('\n'); WriteString("Unable to copy to clipboard!\n"); CommandActive = False; } break; /* Help Menu */ case(IDM_ABOUT): #ifdef _WIN32 DialogBox(hInstance,"AboutBox",CanvWin,AboutCallB); #else lpProc = MakeProcInstance(AboutCallB,hInstance); DialogBox(hInstance,"AboutBox",CanvWin,lpProc); FreeProcInstance(lpProc); #endif break; case(IDM_HELP): if( getcwd(fnamebuf,100) ) { dst = fnamebuf; while( *dst ) dst++; if( *(dst-1) != '\\' ) *dst++ = '\\'; src = "RASWIN.HLP"; while( *dst++ = *src++ ); WinHelp(CanvWin,fnamebuf,HELP_INDEX,0L); } break; /* Display Menu */ case(IDM_WIREFRAME): DisableSpacefill(); EnableWireframe(WireFlag,0,0); SetRibbonStatus(False,0,0); DisableBackbone(); ReDrawFlag |= RFRefresh; break; case(IDM_BACKBONE): DisableSpacefill(); DisableWireframe(); SetRibbonStatus(False,0,0); EnableBackbone(CylinderFlag,80,64); ReDrawFlag |= RFRefresh; break; case(IDM_STICKS): DisableSpacefill(); if( MainAtomCount<256 ) { EnableWireframe(CylinderFlag,40,32); } else EnableWireframe(CylinderFlag,80,64); SetRibbonStatus(False,0,0); DisableBackbone(); ReDrawFlag |= RFRefresh; break; case(IDM_SPHERES): SetVanWaalRadius( SphereFlag ); DisableWireframe(); SetRibbonStatus(False,0,0); DisableBackbone(); ReDrawFlag |= RFRefresh; break; case(IDM_BALLSTICK): SetRadiusValue(120, SphereFlag); EnableWireframe(CylinderFlag,40,32); SetRibbonStatus(False,0,0); DisableBackbone(); ReDrawFlag |= RFRefresh; break; case(IDM_RIBBONS): DisableSpacefill(); DisableWireframe(); SetRibbonStatus(True,RibbonFlag,0); DisableBackbone(); ReDrawFlag |= RFRefresh; break; case(IDM_STRANDS): DisableSpacefill(); DisableWireframe(); SetRibbonStatus(True,StrandFlag,0); DisableBackbone(); ReDrawFlag |= RFRefresh; break; case(IDM_CARTOONS): /* Cartoons */ DisableSpacefill(); DisableWireframe(); SetRibbonCartoons(); DisableBackbone(); ReDrawFlag |= RFRefresh; break; case(IDM_MOLSURF): /* Molecular Surface */ DrawSurf = True; ProbeRadius = 350; SetVanWaalRadius( SphereFlag | TouchFlag ); DisableWireframe(); SetRibbonStatus(False,0,0); DisableBackbone(); CreateSurfaceBonds(); ReDrawFlag |= RFRefresh; break; /* Colours Menu */ case(IDM_MONO): MonoColourAttrib(255,255,255); ReDrawFlag |= RFColour; break; case(IDM_CPK): CPKColourAttrib(); ReDrawFlag |= RFColour; break; case(IDM_SHAPELY): ShapelyColourAttrib(); ReDrawFlag |= RFColour; break; case(IDM_STRUCT): StructColourAttrib(); ReDrawFlag |= RFColour; break; case(IDM_GROUP): ScaleColourAttrib( GroupAttr ); ReDrawFlag |= RFColour; break; case(IDM_CHAIN): ScaleColourAttrib( ChainAttr ); ReDrawFlag |= RFColour; break; case(IDM_TEMPER): ScaleColourAttrib( TempAttr ); ReDrawFlag |= RFColour; break; case(IDM_USER): UserMaskAttrib(MaskColourFlag); ReDrawFlag |= RFColour; break; case(IDM_MODEL): ScaleColourAttrib( ModelAttr ); ReDrawFlag |= RFColour; break; case(IDM_ALT): ScaleColourAttrib( AltAttr ); ReDrawFlag |= RFColour; break; /* Options Menu */ case(IDM_SLAB): ReDrawFlag |= RFRefresh; UseSlabPlane = !UseSlabPlane; if( UseSlabPlane ) UseShadow = False; break; case(IDM_HYDROGEN): mask = NormAtomFlag; if( HetaGroups ) mask |= HeteroFlag; Hydrogens = !Hydrogens; ReDrawFlag |= RFRefresh; if( Hydrogens ) { SelectZone(mask|HydrogenFlag); } else RestrictZone(mask); break; case(IDM_HETERO): mask = NormAtomFlag; if( Hydrogens ) mask |= HydrogenFlag; HetaGroups = !HetaGroups; ReDrawFlag |= RFRefresh; if( HetaGroups ) { SelectZone(mask|HeteroFlag); } else RestrictZone(mask); break; case(IDM_SPECULAR): FakeSpecular = !FakeSpecular; ReDrawFlag |= RFColour; break; case(IDM_SHADOW): ReDrawFlag |= RFRefresh; UseShadow = !UseShadow; if( UseShadow ) { ReviseInvMatrix(); VoxelsClean = False; UseSlabPlane = False; ReAllocBuffers(); } break; case(IDM_STEREO): /* Stereo */ if( UseStereo ) { StereoAngle = -StereoAngle; if ( StereoAngle > 0.0 ) { SetStereoMode(False); } else { SetStereoMode(True); } } else SetStereoMode(True); ReDrawFlag |= RFRefresh; break; case(IDM_LABELS): /* Labels */ LabelOptFlag = !LabelOptFlag; DefaultLabels(LabelOptFlag); ReDrawFlag |= RFRefresh; break; /* Settings Menu */ case(IDM_PKNONE): /* Pick Off */ SetPickMode(PickNone); break; case(IDM_PKIDENT): /* Pick Ident */ SetPickMode(PickIdent); break; case(IDM_PKDIST): /* Pick Distance */ SetPickMode(PickDist); break; case(IDM_PKMONIT): /* Pick Monitor */ SetPickMode(PickMonit); break; case(IDM_PKANGLE): /* Pick Angle */ SetPickMode(PickAngle); break; case(IDM_PKTORSN): /* Pick Torsion */ SetPickMode(PickTorsn); break; case(IDM_PKLABEL): /* Pick Label */ SetPickMode(PickLabel); break; case(IDM_PKORIGN): /* Pick Centre */ SetPickMode(PickOrign); break; case(IDM_PKCOORD): /* Pick Coord */ SetPickMode(PickCoord); break; case(IDM_PKBOND): /* Pick Bond */ SetPickMode(PickBond); break; case(IDM_RTBOND): /* Rotate Bond */ if ( BondSelected ) { RotMode = RotBond; break; } case(IDM_RTMOL): /* Rotate Mol */ RotMode = RotMol; UpdateScrollBars(); break; case(IDM_RTALL): /* Rotate All */ RotMode = RotAll; UpdateScrollBars(); break; /* Save Menu */ case(IDM_BMP): case(IDM_GIF): case(IDM_EPSF): case(IDM_PPM): case(IDM_RAST): SaveOutputFile( option ); break; default: return FALSE; } return TRUE; } static void InitiateServer( HWND hWinCli, LPARAM lParam ) { HWND hWinServ; ATOM aTopicIn, aTopicOut; ATOM aApplIn, aApplOut; char TopicName[16]; char ApplName[16]; register int i; if( DDEConvCount == MaxDDEConvNum ) return; if( aApplIn = LOWORD(lParam) ) { GlobalGetAtomName(aApplIn,ApplName,14); if( stricmp(ApplName,"RasWin") && stricmp(ApplName,"RasWin32") ) return; } else return; if( aTopicIn = HIWORD(lParam) ) { GlobalGetAtomName(aTopicIn,TopicName,14); /* Test for Valid Topic */ /* if( _stricmp(Topic,"System") && * _stricmp(Topic,"RemoteControl") ) * return; */ } else *TopicName = '\0'; hWinServ = CreateWindow("RasDDEClass","RasWinDDE", WS_CHILD, 0, 0, 0, 0, CanvWin, NULL, hInstance, NULL ); if( !hWinServ ) return; for( i=0; i 0 ) { buffer[len] = '\0'; src = dst = buffer; while( (ch = *src++) ) if( (ch>=' ') && (ch<='~') ) *dst++ = ch; *dst = '\0'; if( !IsIPCAdviseRequest(buffer,i) ) { result = ExecuteIPCCommand(buffer); if( result == IPC_Exit ) { CloseIPCConnection(sock); } else if( result == IPC_Quit ) RasMolExit(); } } else CloseIPCConnection(sock); return; } closesocket(sock); } #endif static void ClampDial( int dial, Real value ) { register Real temp; temp = DialValue[dial] + value; if( temp > 1.0 ) { DialValue[dial] = 1.0; } else if( temp < -1.0 ) { DialValue[dial] = -1.0; } else DialValue[dial] = temp; } static void WrapDial( int dial, Real value ) { register Real temp; temp = DialValue[dial] + value; while( temp < -1.0 ) temp += 2.0; while( temp > 1.0 ) temp -= 2.0; DialValue[dial] = temp; } static int GetStatus( int mask ) { register int status; status = 0; if( mask & MK_LBUTTON ) status |= MMLft; if( mask & MK_MBUTTON ) status |= MMMid; if( mask & MK_RBUTTON ) status |= MMRgt; if( mask & MK_CONTROL ) status |= MMCtl; if( mask & MK_SHIFT ) status |= MMSft; return status; } static void AdjustMenus( WPARAM wArg, LPARAM lArg ) { register HMENU hMenu; register int status; register int curitems; register int i; if( lArg == 0) { /* File Menu */ hMenu = (HMENU)wArg; curitems = GetMenuItemCount(hMenu); if (curitems > 8) { for (i = curitems; i > 8; i--) { RemoveMenu(hMenu, i-1, MF_BYPOSITION); } } if (NumMolecules > 0 ) { DrawMoleculeList(); AppendMenu(hMenu,MF_SEPARATOR,0,NULL); for (i = 0; i < NumMolecules; i++) { AppendMenu(hMenu,MF_STRING|MF_ENABLED|MF_UNCHECKED, IDM_MOL1+i,MolName[i]); if (i==MoleculeIndex){ CheckMenuItem(hMenu,IDM_MOL1+i,MF_CHECKED); } } } } if( lArg == 4 ) { /* Options Menu */ hMenu = (HMENU)wArg; status = UseSlabPlane ? MF_CHECKED : MF_UNCHECKED; CheckMenuItem(hMenu,IDM_SLAB,status); status = Hydrogens ? MF_CHECKED : MF_UNCHECKED; CheckMenuItem(hMenu,IDM_HYDROGEN,status); status = HetaGroups ? MF_CHECKED : MF_UNCHECKED; CheckMenuItem(hMenu,IDM_HETERO,status); status = FakeSpecular ? MF_CHECKED : MF_UNCHECKED; CheckMenuItem(hMenu,IDM_SPECULAR,status); status = UseShadow ? MF_CHECKED : MF_UNCHECKED; CheckMenuItem(hMenu,IDM_SHADOW,status); status = UseStereo ? MF_CHECKED : MF_UNCHECKED; CheckMenuItem(hMenu,IDM_STEREO,status); status = LabelOptFlag ? MF_CHECKED : MF_UNCHECKED; CheckMenuItem(hMenu,IDM_LABELS,status); } if( lArg == 5 ) { /* Settings Menu */ hMenu = (HMENU)wArg; status = (PickMode==PickNone) ? MF_CHECKED : MF_UNCHECKED; CheckMenuItem(hMenu,IDM_PKNONE,status); status = (PickMode==PickIdent) ? MF_CHECKED : MF_UNCHECKED; CheckMenuItem(hMenu,IDM_PKIDENT,status); status = (PickMode==PickDist) ? MF_CHECKED : MF_UNCHECKED; CheckMenuItem(hMenu,IDM_PKDIST,status); status = (PickMode==PickMonit) ? MF_CHECKED : MF_UNCHECKED; CheckMenuItem(hMenu,IDM_PKMONIT,status); status = (PickMode==PickAngle) ? MF_CHECKED : MF_UNCHECKED; CheckMenuItem(hMenu,IDM_PKANGLE,status); status = (PickMode==PickTorsn) ? MF_CHECKED : MF_UNCHECKED; CheckMenuItem(hMenu,IDM_PKTORSN,status); status = (PickMode==PickLabel) ? MF_CHECKED : MF_UNCHECKED; CheckMenuItem(hMenu,IDM_PKLABEL,status); status = (PickMode==PickOrign) ? MF_CHECKED : MF_UNCHECKED; CheckMenuItem(hMenu,IDM_PKORIGN,status); status = (PickMode==PickCoord) ? MF_CHECKED : MF_UNCHECKED; CheckMenuItem(hMenu,IDM_PKCOORD,status); status = (PickMode==PickBond) ? MF_CHECKED : MF_UNCHECKED; CheckMenuItem(hMenu,IDM_PKBOND,status); status = (RotMode==RotBond) ? MF_CHECKED : MF_UNCHECKED; CheckMenuItem(hMenu,IDM_RTBOND,status); status = (RotMode==RotMol) ? MF_CHECKED : MF_UNCHECKED; CheckMenuItem(hMenu,IDM_RTMOL,status); status = (RotMode==RotAll) ? MF_CHECKED : MF_UNCHECKED; CheckMenuItem(hMenu,IDM_RTALL,status); } } #ifdef _WIN32 LRESULT CALLBACK MainCallB( HWND hWin, UINT uMsg, WPARAM wArg, LPARAM lArg ) #else LONG FAR PASCAL MainCallB( HWND hWin, UINT uMsg, WPARAM wArg, LPARAM lArg ) #endif { register int pos,status; register int x,y; register COLORREF BackColRef; register HPALETTE hCMap; register HANDLE hand; register HDC hMemDC; register HDC hDC; PAINTSTRUCT ps; RECT rc; CanvWin = hWin; switch(uMsg) { case(WM_DROPFILES): /* Disable Drag & Drop */ if( IsPaused ) break; /* ZapDatabase(); */ *fnamebuf = '\0'; DragQueryFile((HDROP)wArg,0,fnamebuf,127); FetchFile(FormatPDB,False,fnamebuf); DefaultRepresentation(); DragFinish((HDROP)wArg); break; case(WM_DESTROY): /* Destroy RasWin */ DragAcceptFiles(CanvWin,FALSE); PostQuitMessage(0); break; case(WM_CLOSE): DestroyWindow(CanvWin); DestroyWindow(CmndWin); break; case(WM_ACTIVATE): #ifdef _WIN32 if( !LOWORD(wArg) || HIWORD(lArg) ) break; #else if( !wArg || HIWORD(lArg) ) break; #endif case(WM_QUERYNEWPALETTE): if( ColourMap ) { hDC = GetDC(hWin); hCMap = SelectPalette(hDC,ColourMap,False); status = RealizePalette(hDC); if( hCMap ) SelectPalette(hDC,hCMap,False); ReleaseDC(hWin,hDC); if( status ) { InvalidateRect(hWin,NULL,True); return True; } } return 0L; case(WM_PALETTECHANGED): if( ColourMap && ((HWND)wArg != hWin) ) { hDC = GetDC(hWin); hCMap = SelectPalette(hDC,ColourMap,False); if( RealizePalette(hDC) ) InvalidateRect(hWin,NULL,True); if( hCMap ) SelectPalette(hDC,hCMap,False); ReleaseDC(hWin,hDC); } return 0L; case(WM_INITMENUPOPUP): /* Initialise Checks */ AdjustMenus( wArg, lArg ); return 0L; case(WM_SIZE): if( wArg != SIZE_MINIMIZED ) { GetClientRect(hWin,&rc); YRange = rc.bottom; XRange = rc.right; /* Ensure Long Aligned */ if( x = XRange%4 ) XRange += 4-x; Range = MinFun(XRange,YRange); ReDrawFlag |= RFReSize; HRange = YRange>>1; WRange = XRange>>1; ClearImage(); } break; case(WM_HSCROLL): /* Horizontal Scroll */ pos = GetScrollPos(hWin,SB_HORZ); #ifdef _WIN32 switch( LOWORD(wArg) ) #else switch( wArg ) #endif { case(SB_LINEDOWN): pos += 5; break; case(SB_PAGEDOWN): pos += 10; break; case(SB_PAGEUP): pos -= 10; break; case(SB_LINEUP): pos -= 5; break; default: return(0L); case(SB_THUMBTRACK): case(SB_THUMBPOSITION): #ifdef _WIN32 pos = HIWORD(wArg); #else pos = LOWORD(lArg); break; #endif } if( pos>100 ) { pos -= 100; } else if( pos<0 ) pos += 100; SetScrollPos(hWin,SB_HORZ,pos,TRUE); SetHScroll(pos); break; case(WM_VSCROLL): /* Vertical Scroll */ pos = GetScrollPos(hWin,SB_VERT); #ifdef _WIN32 switch( LOWORD(wArg) ) #else switch( wArg ) #endif { case(SB_LINEDOWN): pos += 5; break; case(SB_PAGEDOWN): pos += 10; break; case(SB_PAGEUP): pos -= 10; break; case(SB_LINEUP): pos -= 5; break; default: return(0L); case(SB_THUMBTRACK): case(SB_THUMBPOSITION): #ifdef _WIN32 pos = HIWORD(wArg); #else pos = LOWORD(lArg); #endif break; } if( pos>100 ) { pos -= 100; } else if( pos<0 ) pos += 100; SetScrollPos(hWin,SB_VERT,pos,TRUE); SetVScroll(pos); break; case(WM_LBUTTONDOWN): case(WM_MBUTTONDOWN): case(WM_RBUTTONDOWN): x = LOWORD(lArg); y = HIWORD(lArg); status = GetStatus(wArg); ProcessMouseDown(x,y,status); break; case(WM_LBUTTONUP): case(WM_MBUTTONUP): case(WM_RBUTTONUP): /* Mouse Buttons */ x = LOWORD(lArg); y = HIWORD(lArg); status = GetStatus(wArg); ProcessMouseUp(x,y,status); break; case(WM_MOUSEMOVE): /* Mouse Movement */ x = LOWORD(lArg); y = HIWORD(lArg); status = GetStatus(wArg); ProcessMouseMove(x,y,status); break; case(WM_SETFOCUS): /* Obtain Window Focus */ case(WM_KILLFOCUS): /* Release Window Focus */ SendMessage(CmndWin,uMsg,wArg,lArg); return 0L; case(WM_PAINT): hDC = BeginPaint(hWin,&ps); SetBkMode(hDC,TRANSPARENT); if( PixMap ) { hCMap = SelectPalette(hDC,ColourMap,False); RealizePalette(hDC); #ifdef _WIN32 SetWindowOrgEx(hDC,0,0,NULL); #else SetWindowOrg(hDC,0,0); #endif hMemDC = CreateCompatibleDC(hDC); SelectObject(hMemDC,PixMap); BitBlt(hDC,0,0,XRange,YRange, hMemDC,0,0,SRCCOPY); SelectPalette(hDC,hCMap,False); DeleteDC(hMemDC); } else /* Erase Update Region */ { if( ColourMap ) { hCMap=SelectPalette(hDC,ColourMap,0); RealizePalette(hDC); } BackColRef = RGB(BackR,BackG,BackB); hand = CreateSolidBrush(BackColRef); GetUpdateRect(hWin,&rc,False); FillRect( hDC, &rc, hand ); if( ColourMap && hCMap ) SelectPalette(hDC,hCMap,False); DeleteObject(hand); } EndPaint(hWin,&ps); if( !RasWinDDEReady ) { RasWinDDEReady = True; AdviseUpdate(-4); } return 0L; case(WM_SYSCHAR): if( lArg & (1L<<29) ) /* ALT-key pressed? */ return(DefWindowProc(hWin,uMsg,wArg,lArg)); case(WM_CHAR): if( ProcessCharacter(LOBYTE(wArg)) ) if( ExecuteCommand() ) RasMolExit(); break; case(WM_SYSKEYDOWN): case(WM_KEYDOWN): switch(LOBYTE(wArg)) { case(0x23): ProcessCharacter(0x05); break; case(0x24): ProcessCharacter(0x01); break; case(0x25): ProcessCharacter(0x02); break; case(0x26): ProcessCharacter(0x10); break; case(0x27): ProcessCharacter(0x06); break; case(0x28): ProcessCharacter(0x0e); break; case(0x2e): ProcessCharacter(0x04); break; default: return(DefWindowProc(hWin,uMsg,wArg,lArg)); } break; case(WM_RENDERALLFORMATS): OpenClipboard(hWin); SendMessage(hWin,WM_RENDERFORMAT,CF_DIB,0L); SendMessage(hWin,WM_RENDERFORMAT,CF_PALETTE,0L); CloseClipboard(); return 0L; case(WM_RENDERFORMAT): if( hand = RenderClipboard(wArg) ) SetClipboardData(wArg,hand); return 0L; case(WM_DDE_INITIATE): /* DDE Server Connection */ InitiateServer((HWND)wArg,lArg); return 0L; #ifdef SOCKETS case(WM_WINSOCK): /* IPC Server Connection */ switch( WSAGETSELECTEVENT(lArg) ) { case FD_ACCEPT: OpenIPCConnection(accept(wArg,0,0)); return 0L; case FD_READ: HandleSocketData((SOCKET)wArg); break; case FD_CLOSE: CloseIPCConnection((SOCKET)wArg); return 0L; default: return 0L; } break; #endif case(WM_COMMAND): #ifdef _WIN32 if( !IsPaused && HandleMenu(LOWORD(wArg)) ) break; #else if( !IsPaused && HandleMenu(wArg) ) break; #endif default: return( DefWindowProc(hWin,uMsg,wArg,lArg) ); } if( ReDrawFlag ) RefreshScreen(); if( !CommandActive ) ResetCommandLine(0); return 0L; } static int InitialiseApplication( void ) { WNDCLASS wc; wc.hIcon = LoadIcon(hInstance,"RasWinIcon"); wc.hInstance = hInstance; wc.cbWndExtra = 0; wc.cbClsExtra= 0; /* Canvas Window Class */ wc.style = 0; wc.lpfnWndProc = MainCallB; wc.hbrBackground = CreateSolidBrush(RGB(0,0,0)); wc.hCursor = LoadCursor(hInstance,"RasWinCursor"); wc.lpszClassName = "RasWinClass"; wc.lpszMenuName = NULL; if( !RegisterClass(&wc) ) return False; /* Terminal Window Class */ wc.style = CS_NOCLOSE; wc.lpfnWndProc = CmndCallB; wc.hbrBackground = (HBRUSH)(COLOR_WINDOW+1); wc.hCursor = LoadCursor(NULL,IDC_ARROW); wc.lpszClassName = "RasCliClass"; wc.lpszMenuName = NULL; if( !RegisterClass(&wc) ) return False; /* DDE Server Window Class */ wc.lpfnWndProc = DDECallB; wc.lpszClassName = "RasDDEClass"; wc.hbrBackground = NULL; wc.hCursor = NULL; wc.hIcon = NULL; return RegisterClass(&wc); } static char *RegisterFormat( char *buffer, char *desc, char *ext ) { while( *buffer++ = *desc++ ); while( *buffer++ = *ext++ ); return buffer; } static void InitFileDialogBoxes( void ) { register char *dst; dst = ifilters; dst = RegisterFormat(dst,"Protein Databank","*.PDB;*.ENT"); dst = RegisterFormat(dst,"Alchemy File Format","*.ALC;*.MOL"); dst = RegisterFormat(dst,"Sybyl MOL2 Format","*.SYB;*.ML2;*.SY2;*.MOL"); dst = RegisterFormat(dst,"MDL Mol File Format","*.MDL;*.MOL"); dst = RegisterFormat(dst,"MSC (XMol) XYZ Format","*.XYZ"); dst = RegisterFormat(dst,"CHARMm File Format","*.CHM"); dst = RegisterFormat(dst,"MOPAC File Format","*.MOP"); dst = RegisterFormat(dst,"CIF File Format","*.CIF"); *dst = '\0'; /* Load File Common Dialog Box */ ofn1.lStructSize=sizeof(OPENFILENAME); ofn1.Flags = OFN_NOCHANGEDIR | OFN_FILEMUSTEXIST | OFN_HIDEREADONLY; ofn1.lpstrFilter = ifilters; ofn1.lpstrTitle = "Select Molecular Coordinate File"; ofn1.lpstrFile = fnamebuf; ofn1.nMaxFile = 128; ofn1.lpstrCustomFilter = NULL; ofn1.lpstrInitialDir = NULL; ofn1.lpstrFileTitle = NULL; ofn1.hwndOwner = NULL; dst = ofilters; dst = RegisterFormat(dst,"Microsoft Bitmap","*.BMP"); dst = RegisterFormat(dst,"CompuServe GIF","*.GIF"); dst = RegisterFormat(dst,"Colour PostScript","*.PS;*.EPS"); dst = RegisterFormat(dst,"Mono PostScript","*.PS;*.EPS"); dst = RegisterFormat(dst,"Vector PostScript","*.PS;*.EPS"); dst = RegisterFormat(dst,"Raw Portable Pixmap","*.PPM"); dst = RegisterFormat(dst,"ASCII Portable Pixmap","*.PPM"); dst = RegisterFormat(dst,"Apple Macintosh PICT","*.PIC"); dst = RegisterFormat(dst,"Silicon Graphics RGB","*.RGB"); dst = RegisterFormat(dst,"RLE Sun Rasterfile","*.RAS;*.IM8"); dst = RegisterFormat(dst,"Sun Rasterfile","*.RAS"); *dst = '\0'; /* Save File Common Dialog Box */ ofn2.lStructSize=sizeof(OPENFILENAME); ofn2.Flags = OFN_NOCHANGEDIR | OFN_HIDEREADONLY | OFN_NOREADONLYRETURN | OFN_OVERWRITEPROMPT | OFN_PATHMUSTEXIST; ofn2.lpstrFilter = ofilters; ofn2.lpstrTitle = "Select Graphics Ouptut File"; ofn2.lpstrFile = fnamebuf; ofn2.nMaxFile = 128; ofn2.lpstrCustomFilter = NULL; ofn2.lpstrInitialDir = NULL; ofn2.lpstrFileTitle = NULL; ofn2.hwndOwner = NULL; } static void InitWindowsProfiles( void ) { #ifdef _WIN32 if( !GetProfileString("extensions","pdb","",Text,128) ) WriteProfileString("extensions","pdb","raswin32.exe ^.pdb"); if( !GetProfileString("extensions","ent","",Text,128) ) WriteProfileString("extensions","ent","raswin32.exe ^.ent"); #else if( !GetProfileString("extensions","pdb","",Text,128) ) WriteProfileString("extensions","pdb","raswin.exe ^.pdb"); if( !GetProfileString("extensions","ent","",Text,128) ) WriteProfileString("extensions","ent","raswin.exe ^.ent"); #endif DDETimeOut = GetPrivateProfileInt("RasWin","DDETimeOut", DefaultDDETimeOut,"RASWIN.INI"); } static void InitDefaultValues( void ) { register int i; Interactive = True; DDEConvCount = 0; DDEAdviseCount = 0; for( i=0; i