diff --git a/tools/xmovie/Makefile b/tools/xmovie/Makefile deleted file mode 100755 index 33a45b2d6..000000000 --- a/tools/xmovie/Makefile +++ /dev/null @@ -1,63 +0,0 @@ -CC = gcc -LN = gcc -OPTIM = -O2 -finline-functions -g -XLIBDIR = -L/usr/X11R6/lib -XINCLUDE = -DEFINES = -DMISSINGDEFS -D_POSIX_SOURCE -DUSEPRIVATE -DINCL_FLOAT -WARNS = -Wimplicit -Wunused -Wmissing-prototypes -CCOPTS = -c $(OPTIM) $(DEFINES) $(WARNS) $(XINCLUDE) -LNOPTS = $(OPTIM) - -LIBS = $(XLIBDIR) -lX11 -lXaw -lm - -# try this version on a Mac -#LIBS = $(XLIBDIR) -lX11 -lXaw -lXt -lXext -lXmu -lXpm - -OBJS = xmovie.o \ - control.o \ - scene.o \ - read.o \ - hpsort.o - -EXES = xmovie dummy tobinary toascii - -.c.o: - $(CC) $(CCOPTS) $*.c - -xmovie: $(OBJS) - $(CC) $(CCOPTS) version.c - $(LN) -o xmovie $(LNOPTS) version.o $(OBJS) $(LIBS) - -xmovie.o: xmovie.h resource.h xmovie.c -control.o: xmovie.h control.c -scene.o: xmovie.h scene.c -read.o: xmovie.h read.c -hpsort.o: hpsort.c - -clean: - rm -f *.o *~ $(EXES) - -tar: - tar cvf xmovie.tar Makefile *.c *.h - compress xmovie.tar - uuencode xmovie.tar.Z xmovie.tar.Z > xmovie.tar.Z.uu - -clean_obj: - rm -f *.o - -all: $(EXES) - -dummy: dummy.o - $(LN) $(LNOPTS) -o dummy dummy.o -lm - -dummy.o: dummy.c - -toascii: toascii.o - $(LN) $(LNOPTS) -o toascii toascii.o - -toascii.o: toascii.c - -tobinary: tobinary.o - $(LN) $(LNOPTS) -o tobinary tobinary.o - -tobinary.o: tobinary.c diff --git a/tools/xmovie/README b/tools/xmovie/README deleted file mode 100644 index 1b9084dcc..000000000 --- a/tools/xmovie/README +++ /dev/null @@ -1,51 +0,0 @@ -Xmovie is an X-based visualization package that can reads particle -data in a simple text format. LAMMPS output files are in this format -(by default). Xmovie displays 2d projections of 3d (or 2d) data sets. -While simple, it is extremely fast, and often useful for debugging. - -Xmovie was written by Mike Uttormark, while visiting Sandia, in the -summer of 1994. Subsequent small changes have been made by Steve -Plimpton. - -To make xmovie for your platform, edit the top section of the Makefile -appropriately for your machine. You will need to point at the correct -X libraries for xmovie to compile and link properly. - -Once you have an xmovie executable you can test it by typing: - -xmovie dummy.dat - -A control window and a display window should pop open. Move the -"thickness" slider all the way to the right and click "Start". You -should see a small white ball oscillate back and forth in the display. - -The examples directory in the LAMMPS distribution has several -simulations that can be run with LAMMPS to produce dump.* files that -you can use xmovie to visualize. The Movies page of the LAMMPS WWW -Site has animations of these simulations that were produced by -converting saved xmovie snapshots to MPEG files (via ImageMagick's -convert program). Note that LAMMPS output is scaled by default (so -all coordinates are from 0 to 1). Thus you need to run xmovie like -this: - -xmovie -scale dump.* - -to see the snapshot you expect. - -The xmovie control window options should be self-explanatory. You are -always viewing a 2d projection of your 2d or 3d snapshot; the -"position" and "thickness" sliders control the range of the slab of -atoms being projected. You will not always see a snapshot when xmovie -begins, unless you push the "thickness" slider to the right. - -Type xmovie to see a list of command-line options and info on file -formats. - ---------------------------------------------------------------- - -If the xpm.h file is not on a system, it must be downloaded from -somewhere - -Needed to build on IBM cheetah at ORNL: -#include - diff --git a/tools/xmovie/Xdefaults b/tools/xmovie/Xdefaults deleted file mode 100755 index a0b536a7f..000000000 --- a/tools/xmovie/Xdefaults +++ /dev/null @@ -1,51 +0,0 @@ -! Resources that users may want to change. -! Add these lines to your .Xdefaults file or -! merge them using xrdb -merge -! - -! -! colors used for drawing atoms -! - -#ifdef COLOR - -XMovie.*.scene.*.foreground: red -XMovie.*.scene.*.background: black -XMovie.*.scene.width: 600 -XMovie.*.scene.height: 600 - -#else - -XMovie.*.scene.*.foreground: black -XMovie.*.scene.*.background: white - -#endif - -! -! Default slider positions (0.0 -> 1.0) -! - -XMovie.*.speedbar.topOfThumb: 1.0 -XMovie.*.positionbar.topOfThumb: 0.50 -XMovie.*.thicknessbar.topOfThumb: 1.0 - -! -! Default viewing axis -! set only one, or chaos will surely ensue. -! need to turn z off before turning others on -! - -! XMovie.*.z.state: False -! XMovie.*.y.state: True - -! XMovie.*.x.state: True -! XMovie.*.z.state: True - -! -! Default viewing direction -! again, set only one. -! turn vminus off before turning vplus on -! - -! XMovie.*.vminus.state: False -! XMovie.*.vplus.state: True diff --git a/tools/xmovie/control.c b/tools/xmovie/control.c deleted file mode 100644 index dfa078162..000000000 --- a/tools/xmovie/control.c +++ /dev/null @@ -1,1340 +0,0 @@ -/* **************************************************************** */ -/* functions to handle control panel (sliders, labels, etc.) */ - -#include -#include - -#include -#include -#include -#include - -#include - -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include - -#include "xmovie.h" - -#define POPUPSHELLCLASS overrideShellWidgetClass - -/* **************************************************************** */ -/* local typedefs */ - -typedef void (*InitFunc)(Widget parent); - -typedef struct { - char *name; - XtCallbackProc exec_func; - XtPointer data; - InitFunc init_func; - } ButtonStruct; - -#define NBTN(a) (sizeof(a)/sizeof(ButtonStruct)) - -typedef struct { - char *name; - int value; - Widget w; - } ToggleStruct; - -#define TGLCNT(x) (sizeof(x)/sizeof(ToggleStruct)) - -typedef struct { - char *name; - XtCallbackProc callback; - ToggleStruct *buttons; - int nbuttons; - Widget lw; - } RadioStruct; - -typedef struct { - char *labelname; - Widget *label; - char *slidername; - Widget *slider; - XtCallbackProc callback; - } SliderLabelStruct; - -typedef struct { - Widget *w; - XtGrabKind grab; - Bool stop_motion; - } PopupData; - -/* **************************************************************** */ -/* local prototypes */ - -PRIVATE void SetSpeed(float percent); -PRIVATE void NewSpeed(Widget w, XtPointer client_data, XtPointer percent); -PRIVATE void SetPosition(float percent); -PRIVATE void NewPosition(Widget w, XtPointer client_data, XtPointer percent); -PRIVATE void SetThickness(float percent); -PRIVATE void NewThickness(Widget w, XtPointer client_data, XtPointer percent); - -PRIVATE void AxisSelect(Widget w, XtPointer client_data, XtPointer call_data); -PRIVATE void DirectionSelect(Widget w, XtPointer client_data, XtPointer call_data); -PRIVATE void MotionSelect(Widget w, XtPointer client_data, XtPointer call_data); - -PRIVATE void FindAndDisplaySlider(Widget w, XtCallbackProc func); - -PRIVATE void DrawAxes(void); - -PRIVATE void MakeRadioGroup(Widget parent, RadioStruct *radio); -PRIVATE void MakeSliderWithLabel(Widget parent, SliderLabelStruct *sl); - -PRIVATE void SetRadio(RadioStruct *radio); - -PRIVATE void do_start(Widget w, XtPointer client_data, XtPointer call_data); -PRIVATE void do_stop(Widget w, XtPointer client_data, XtPointer call_data); -PRIVATE void do_restart(Widget w, XtPointer client_data, XtPointer call_data); -PRIVATE void do_step(Widget w, XtPointer client_data, XtPointer call_data); -PRIVATE void do_back(Widget w, XtPointer client_data, XtPointer call_data); - -PRIVATE void do_save_off(Widget w, XtPointer client_data, XtPointer call_data); -PRIVATE void do_save_on(Widget w, XtPointer client_data, XtPointer call_data); -PRIVATE void do_save_one(Widget w, XtPointer client_data, XtPointer call_data); - -PRIVATE void do_popup(Widget w, XtPointer client_data, XtPointer call_data); -PRIVATE void cancel_popup(Widget w, XtPointer client_data, XtPointer call_data); - -PRIVATE void init_quit(Widget w); -PRIVATE void quit_ok(Widget w, XtPointer client_data, XtPointer call_data); - -PRIVATE void init_atoms(Widget w); -PRIVATE void init_bonds(Widget w); -PRIVATE void init_bg(Widget w); -PRIVATE void init_file(Widget w); - -PRIVATE void color_apply(Widget w, XtPointer client_data, XtPointer call_data); -PRIVATE void bond_apply(Widget w, XtPointer client_data, XtPointer call_data); -PRIVATE void bg_apply(Widget w, XtPointer client_data, XtPointer call_data); -PRIVATE void file_apply(Widget w, XtPointer client_data, XtPointer call_data); - -PRIVATE Pixel ConvertColorToPixel(Widget w, String color); -PRIVATE XtActionProc NoOp(Widget w, XEvent event, String *params, - Cardinal nparams); - -PRIVATE void visible_toggle(Widget w, XtPointer client_data, XtPointer - call_data); - -PRIVATE void bvisible_toggle(Widget w, XtPointer client_data, XtPointer - call_data); - -/* **************************************************************** */ -/* local data */ - -static Widget QuitPopup = (Widget) 0, - AtomPopup = (Widget) 0, - BondPopup = (Widget) 0, - BackgroundPopup = (Widget) 0, - FileColorPopup = (Widget) 0, - TimeLabel = (Widget) 0, - SpeedBar = (Widget) 0, - SpeedLabel = (Widget) 0, - PositionBar = (Widget) 0, - PositionLabel = (Widget) 0, - ThicknessBar = (Widget) 0, - ThicknessLabel = (Widget) 0, - Axes = (Widget) 0, - ReadInfo = (Widget) 0; - -static Widget BGDialog = (Widget) 0, - FileDialog = (Widget) 0, - *FGDialog = (Widget *) NULL, - *Visible = (Widget *) NULL, - *Invisible = (Widget *) NULL, - *SizeDialog = (Widget *) NULL, - *BFGDialog = (Widget *) NULL, - *BVisible = (Widget *) NULL, - *BInvisible = (Widget *) NULL, - *ThicknessDialog= (Widget *) NULL; - -static PopupData - QuitData = { &QuitPopup, XtGrabExclusive, True}, - AtomData = { &AtomPopup, XtGrabNone, False }, - BondData = { &BondPopup, XtGrabNone, False }, - BackgroundData = { &BackgroundPopup, XtGrabNone, False }, - FileColorData = { &FileColorPopup, XtGrabNone, False }; - -static ButtonStruct Buttons[] = { - { "quit", do_popup, (XtPointer) &QuitData, init_quit }, - { "start", do_start, NULL, NULL }, - { "stop", do_stop, NULL, NULL }, - { "restart", do_restart, NULL, NULL }, - { "step", do_step, NULL, NULL }, - { "back", do_back, NULL, NULL }, - }; - -static ButtonStruct SaveButtons[] = { - { "Off while animating", do_save_off, NULL, NULL }, - { "On while animating", do_save_on , NULL, NULL }, - { "This snapshot", do_save_one, NULL, NULL }, - }; - -static ButtonStruct ColorButtons[] = { - { "atoms", do_popup, (XtPointer) &AtomData, init_atoms }, - { "bonds", do_popup, (XtPointer) &BondData, init_bonds }, - { "background", do_popup, (XtPointer) &BackgroundData, init_bg }, - { "filecolor", do_popup, (XtPointer) &FileColorData, init_file } - }; - -static int in_motion; - -static SliderLabelStruct - SpeedSL = { - "speed", &SpeedLabel, - "speedbar", &SpeedBar, - NewSpeed }, - PositionSL = { - "position", &PositionLabel, - "positionbar", &PositionBar, - NewPosition }, - ThicknessSL = { - "thickness", &ThicknessLabel, - "thicknessbar", &ThicknessBar, - NewThickness } - ; - -static ToggleStruct - AxisButtons[] = { - { "x", 0 }, - { "y", 1 }, - { "z", 2 } }, - DirectionButtons[] = { - { "vplus", 1 }, - { "vminus", 0 } }, - MotionButtons[] = { - { "mplus", 1 }, - { "mminus", -1 } } - ; - -static RadioStruct - AxisRadio = { - "axis", - AxisSelect, - AxisButtons, - TGLCNT(AxisButtons) }, - DirectionRadio = { - "viewdir", - DirectionSelect, - DirectionButtons, - TGLCNT(DirectionButtons) }, - MotionRadio = { - "motiondir", - MotionSelect, - MotionButtons, - TGLCNT(MotionButtons) } - ; - -static int normal = 1; -static char *null_string = ""; - -static XtActionsRec actions[] = { - { "NoOp", (XtActionProc) NoOp}, - }; - -/* **************************************************************** */ - -Widget CreateControl(Widget parent, char *name) -{ - Widget form, command, button, menu; - ButtonStruct *bptr; - int bcnt; - - /* register the new actions */ - - XtAppAddActions(XtWidgetToApplicationContext(parent), - actions, XtNumber(actions)); - - /* create a form widget to handle layout */ - - form = XtCreateManagedWidget(name, formWidgetClass, parent, - NULL, ZERO); - - /* create all the command buttons */ - - for(bcnt = NBTN(Buttons), bptr = Buttons;bcnt > 0; bcnt--, bptr++){ - - /* create a button */ - - command = XtCreateManagedWidget(bptr->name, - commandWidgetClass, form, NULL, ZERO); - - /* Add the function as a callback */ - - XtAddCallback(command, XtNcallback, bptr->exec_func, - bptr->data); - - /* call initialization routine */ - - if (bptr->init_func) (bptr->init_func)(command); - - } - - /* create the save menu */ - - command = XtCreateManagedWidget("save", menuButtonWidgetClass, - form, NULL, ZERO); - - menu = XtCreatePopupShell("menu", simpleMenuWidgetClass, - command, NULL, ZERO); - - for(bcnt=NBTN(SaveButtons), bptr=SaveButtons; bcnt>0; bcnt--,bptr++){ - button = XtCreateManagedWidget(bptr->name, smeBSBObjectClass, - menu, NULL, ZERO); - XtAddCallback(button, XtNcallback, bptr->exec_func,bptr->data); - if (bptr->init_func) (bptr->init_func)(button); - } - - /* create the color menu */ - - command = XtCreateManagedWidget("color", menuButtonWidgetClass, - form, NULL, ZERO); - - menu = XtCreatePopupShell("menu", simpleMenuWidgetClass, - command, NULL, ZERO); - - for(bcnt=NBTN(ColorButtons), bptr=ColorButtons; bcnt>0; bcnt--,bptr++){ - button = XtCreateManagedWidget(bptr->name, smeBSBObjectClass, - menu, NULL, ZERO); - XtAddCallback(button, XtNcallback, bptr->exec_func,bptr->data); - if (bptr->init_func) (bptr->init_func)(button); - } - - /* create a label widget to display time */ - - TimeLabel = XtCreateManagedWidget("time", labelWidgetClass, - form, NULL, ZERO); - - SetTime("Time: 0"); - - /* ************************************************ */ - /* create all the sliders */ - /* ************************************************ */ - - - MakeSliderWithLabel(form, &SpeedSL); - MakeSliderWithLabel(form, &PositionSL); - MakeSliderWithLabel(form, &ThicknessSL); - - /* ******************************************************** */ - /* create a radio group for axis, view, motion directions */ - /* ******************************************************** */ - - MakeRadioGroup(form, &AxisRadio); - MakeRadioGroup(form, &DirectionRadio); - MakeRadioGroup(form, &MotionRadio); - - /* create a label widget to put axes in */ - - /* SJP - 10/02, had to add last NULL argument to each call */ - - Axes = XtVaCreateManagedWidget("axes", labelWidgetClass, form, - XtNlabel, null_string,NULL); - - ReadInfo = XtVaCreateManagedWidget("read", labelWidgetClass, - form, XtNlabel, null_string,NULL); - -} - -PRIVATE XtActionProc NoOp(Widget w, XEvent event, String *params, - Cardinal nparams) -{ - return; -} - -void SetTime(char *s) -{ - XtVaSetValues(TimeLabel, XtNlabel, s, NULL); -} - -PRIVATE void SetSpeed(float percent) -{ - char string[40]; - int speed; - - speed = percent * 100; - (void) sprintf(string,"Speed: %i", speed); - - XtVaSetValues(SpeedLabel, XtNlabel, string, NULL); -} - -PRIVATE void NewSpeed(Widget w, XtPointer client_data, XtPointer percent_ptr) -{ - float percent; - - percent = * (float *) percent_ptr; - - /* delay between frames in milliseconds */ - - Common.delay = 30 + 10.0/(0.01 + percent); - - SetSpeed(percent); -} - -PRIVATE void SetPosition(float position) -{ - char string[40]; - - static char *axis[] = { "X", "Y", "Z" }; - - (void) sprintf(string,"%s Position: %6.3f", axis[Common.axis], - position); - - XtVaSetValues(PositionLabel, XtNlabel, string, NULL); -} - -PRIVATE void NewPosition(Widget w, XtPointer client_data, XtPointer percent_ptr) -{ - float percent; - int i; - float old_pos; - - percent = * (float *) percent_ptr; - - i = Common.axis; - - old_pos = Common.position; - - Common.position = - (Common.bounds[i].high - Common.bounds[i].low) * percent + - Common.bounds[i].low; - - SetPosition(Common.position); - - if (Common.position == old_pos) return; - - if (normal) SceneUpdate(); -} - -PRIVATE void SetThickness(float thickness) -{ - char string[40]; - - (void) sprintf(string,"Thickness: %6.3f", thickness); - - XtVaSetValues(ThicknessLabel, XtNlabel, string, NULL); -} - -PRIVATE void NewThickness(Widget w, XtPointer client_data, XtPointer percent_ptr) -{ - float percent; - int i; - float old_thick; - - percent = * (float *) percent_ptr; - i = Common.axis; - - old_thick = Common.thickness; - Common.thickness = - (Common.bounds[i].high - Common.bounds[i].low) * percent; - - if (old_thick == Common.thickness) return; - - SetThickness(Common.thickness); - - if (normal) SceneUpdate(); -} - -/* **************************************************************** */ - -PRIVATE void AxisSelect(Widget w, XtPointer client_data, XtPointer call_data) -{ - int new_axis; - - new_axis = (int) client_data; - - if (new_axis == Common.axis) return; - - Common.axis = new_axis; - - DrawAxes(); - - normal = 0; - - FindAndDisplaySlider(PositionBar, NewPosition); - FindAndDisplaySlider(ThicknessBar, NewThickness); - - normal = 1; - - SceneUpdate(); -} - -PRIVATE void DirectionSelect(Widget w, XtPointer client_data, XtPointer call_data) -{ - int new_dir; - - new_dir = (int) client_data; - - if (new_dir == Common.direction) return; - - Common.direction = new_dir; - - DrawAxes(); - SceneUpdate(); -} - -PRIVATE void MotionSelect(Widget w, XtPointer client_data, XtPointer call_data) -{ - int new_dir; - - new_dir = (int) client_data; - - Common.dstep = new_dir; -} - - -PRIVATE void FindAndDisplaySlider(Widget w, XtCallbackProc func) -{ - float percent; - - XtVaGetValues(w, XtNtopOfThumb, &percent, NULL); - - (func)(NULL, NULL, &percent); -} - -void PositionUpdate(void) -{ - FindAndDisplaySlider(PositionBar, NewPosition); -} - -void ThicknessUpdate(void) -{ - FindAndDisplaySlider(ThicknessBar, NewThickness); -} - -void SpeedUpdate(void) -{ - FindAndDisplaySlider(SpeedBar, NewSpeed); -} - -/* **************************************************************** */ - -typedef struct { - int x; - int y; - char *name; - } LABEL; - -typedef struct { - XSegment lines[6]; - LABEL labels[2]; - } AXIS; - -static AXIS axis_data[] = { - { { { 120, 120, 120, 30 }, { 115, 35, 120, 30 }, - { 120, 30, 125, 35 }, { 120, 120, 30, 120 }, - { 35, 125, 30, 120 }, { 30, 120, 35, 115 } }, - { { 15, 127, "Z" }, { 115, 25, "Y" } }, - }, - { { { 20, 20, 20, 110 }, { 15, 105, 20, 110 }, - { 20, 110, 25, 105 }, { 20, 20, 110, 20 }, - { 105, 15, 110, 20 }, { 110, 20, 105, 25 } }, - { { 115, 27, "X" }, { 15, 127, "Z" } }, - }, - { { { 20, 120, 20, 30 }, { 15, 35, 20, 30 }, - { 20, 30, 25, 35 }, { 20, 120, 110, 120 }, - { 105, 125, 110, 120 }, { 110, 120, 105, 115 } }, - { { 115, 127, "X" }, { 15, 27, "Y" } }, - }, - { { { 20, 120, 20, 30 }, { 15, 35, 20, 30 }, - { 20, 30, 25, 35 }, { 20, 120, 110, 120 }, - { 105, 125, 110, 120 }, { 110, 120, 105, 115 } }, - { { 115, 127, "Z" }, { 15, 27, "Y" } }, - }, - { { { 20, 120, 20, 30 }, { 15, 35, 20, 30 }, - { 20, 30, 25, 35 }, { 20, 120, 110, 120 }, - { 105, 125, 110, 120 }, { 110, 120, 105, 115 } }, - { { 115, 127, "X" }, { 15, 27, "Z" } }, - }, - { { { 20, 20, 20, 110 }, { 15, 105, 20, 110 }, - { 20, 110, 25, 105 }, { 20, 20, 110, 20 }, - { 105, 15, 110, 20 }, { 110, 20, 105, 25 } }, - { { 115, 27, "X" }, { 15, 127, "Y" } }, - }, - }; - -PRIVATE void DrawAxes(void) -{ - static int first = 1; - static GC gc; - static Dimension height, width; - XGCValues xgc; - AXIS *a; - int i; - XFontStruct *font; - - if ( Common.axis < 0 || - Common.direction < 0 || - !Axes || - !XtIsRealized(Axes) ) return; - - if (first) { - xgc.function = GXcopy; - - XtVaGetValues(Axes, - XtNbackground, &xgc.background, - XtNforeground, &xgc.foreground, - XtNfont, &font, - XtNheight, &height, - XtNwidth, &width, - NULL ); - - xgc.font = font->fid; - - gc = XCreateGC(XtDisplay(Axes), XtWindow(Axes), - GCFunction | GCBackground | GCForeground | GCFont, - &xgc); - - first = 0; - } - - XClearWindow(XtDisplay(Axes), XtWindow(Axes)); - - a = axis_data + Common.axis + 3*Common.direction; - - XDrawSegments(XtDisplay(Axes), XtWindow(Axes), gc, a->lines, 6); - - for(i = 0; i < 2; i++) - XDrawString(XtDisplay(Axes), XtWindow(Axes), gc, - a->labels[i].x, a->labels[i].y, - a->labels[i].name, - strlen(a->labels[i].name)); - -} -void ExposeAxes(Widget w, XEvent *event, String *strings, Cardinal *nstrings) -{ - DrawAxes(); -} - - -/* **************************************************************** */ - -PRIVATE void MakeRadioGroup(Widget parent, RadioStruct *radio) -{ - ToggleStruct *t; - int i; - - if (radio->name) - radio->lw = XtCreateManagedWidget(radio->name, - labelWidgetClass, parent , NULL, ZERO ); - - for(t = radio->buttons, i = radio->nbuttons; i; i--, t++) { - t->w = XtCreateManagedWidget(t->name, toggleWidgetClass, - parent, NULL, ZERO); - XtAddCallback(t->w, XtNcallback, radio->callback, - (XtPointer) t->value); - } - -} - -/* **************************************************************** */ - -PRIVATE void MakeSliderWithLabel(Widget parent, SliderLabelStruct *sl) -{ - /* create the slider */ - - *(sl->slider) = XtCreateManagedWidget(sl->slidername, - scrollbarWidgetClass, parent, NULL, ZERO); - - /* add the callback */ - - XtAddCallback(*(sl->slider), XtNjumpProc, sl->callback, NULL); - - /* create the label */ - - *(sl->label) = XtCreateManagedWidget(sl->labelname, - labelWidgetClass, parent, NULL, ZERO); - - /* Initialize the display */ - - FindAndDisplaySlider(*(sl->slider), sl->callback); -} - - -void UpdateRadios(void) -{ - SetRadio(&AxisRadio); - SetRadio(&DirectionRadio); - SetRadio(&MotionRadio); -} - -PRIVATE void SetRadio(RadioStruct *radio) -{ - ToggleStruct *t; - int i; - char set_name[80], *rg; - - t = radio->buttons; - - /* find out which toggle is currently set */ - strcpy(set_name, (char *) XawToggleGetCurrent(t->w)); - - for(i = radio->nbuttons; i; i--, t++) - if (!strcmp(set_name, t->name)) goto found_set; - - t = radio->buttons; - - XtVaGetValues(t->w, XtNradioGroup, &rg, NULL); - fprintf(stderr,"Error: radioData for radioGroup %s inconsistent.\n", - rg); - XtDestroyApplicationContext(XtWidgetToApplicationContext(TopLevel)); - exit(0); - - found_set: - - /* call the callback with the proper data */ - - (radio->callback)((Widget) t->w, (XtPointer) t->value, (XtPointer) 0); -} - -void SetReadString(char *s) -{ - if (ReadInfo == (Widget) 0) return; - - XtVaSetValues(ReadInfo, XtNlabel, s, NULL); -} - -/* **************************************************************** */ - -PRIVATE void init_quit(Widget parent) -{ - Widget dialog; - - /* create a popup shell */ - - QuitPopup = XtCreatePopupShell("popup", POPUPSHELLCLASS, - parent, NULL, ZERO); - - /* put a dialog box in it */ - - dialog = XtCreateManagedWidget("dialog", dialogWidgetClass, - QuitPopup, NULL, ZERO); - - XawDialogAddButton(dialog, "ok", quit_ok, (XtPointer) dialog); - XawDialogAddButton(dialog, "cancel", cancel_popup, - (XtPointer) &QuitData); - -} - -/* **************************************************************** */ - -PRIVATE void do_popup(Widget w, XtPointer client_data, XtPointer call_data) -{ - Position x, y; - PopupData *pdata; - - pdata = (PopupData *) client_data; - - /* stop motion for now */ - - if (pdata->stop_motion) { - in_motion = Common.motion; - RemoveMotion(); - } - - /* translate to corner of calling widgets window */ - - XtTranslateCoords(w, 0, 0, &x, &y); - - /* Set us to pop up there */ - - XtVaSetValues(*(pdata->w), XtNx, x, XtNy, y, NULL); - - /* do the popping */ - - XtPopup(*(pdata->w), pdata->grab); -} - - -PRIVATE void quit_ok(Widget w, XtPointer client_data, XtPointer call_data) -{ - XtDestroyApplicationContext(XtWidgetToApplicationContext(w)); - exit(0); -} - -PRIVATE void cancel_popup(Widget w, XtPointer client_data, XtPointer call_data) -{ - PopupData *pdata; - - pdata = (PopupData *) client_data; - - if (pdata->stop_motion && in_motion) InstallMotion(); - - XtPopdown(*(pdata->w)); -} - -/* **************************************************************** */ - -PRIVATE void do_start(Widget w, XtPointer client_data, XtPointer call_data) -{ - InstallMotion(); -} - -PRIVATE void do_stop(Widget w, XtPointer client_data, XtPointer call_data) -{ - RemoveMotion(); -} - -PRIVATE void do_restart(Widget w, XtPointer client_data, XtPointer call_data) -{ - RemoveMotion(); - - if (Common.dstep > 0) - Common.step = 0; - else - Common.step = Common.ndata-1; - - InstallMotion(); -} - -PRIVATE void do_step(Widget w, XtPointer client_data, XtPointer call_data) -{ - RemoveMotion(); - - Common.step = CoerceStep(Common.step + 1); - - SceneUpdate(); -} - -PRIVATE void do_back(Widget w, XtPointer client_data, XtPointer call_data) -{ - RemoveMotion(); - - Common.step = CoerceStep(Common.step - 1); - - SceneUpdate(); -} - -PRIVATE void do_save_off(Widget w, XtPointer client_data, XtPointer call_data) -{ - Common.saveflag = 0; -} - -PRIVATE void do_save_on(Widget w, XtPointer client_data, XtPointer call_data) -{ - Common.saveflag = 1; -} - -PRIVATE void do_save_one(Widget w, XtPointer client_data, XtPointer call_data) -{ - SceneSave(); -} - -/* **************************************************************** */ - -PRIVATE void init_atoms(Widget parent) -{ - Widget outerform, form; - Widget apply, cancel, last; - char formname[80], fglabel[80], sizelabel[80]; - char fgname[80], sizename[80], vname[80], iname[80]; - int i, j; - size_t size; - - /* create a popup shell for atom colors */ - - AtomPopup = XtCreatePopupShell("atomcolors", - transientShellWidgetClass, TopLevel, NULL, ZERO); - - /* put a form widget in it for layout */ - - outerform = XtCreateManagedWidget("form", formWidgetClass, AtomPopup, - NULL, ZERO); - - /* add the buttons */ - - apply = XtCreateManagedWidget("apply", commandWidgetClass, - outerform, NULL, ZERO); - XtAddCallback(apply, XtNcallback, color_apply, - (XtPointer) NULL); - - cancel = XtVaCreateManagedWidget("cancel", commandWidgetClass, - outerform, XtNfromHoriz, apply, NULL); - XtAddCallback(cancel, XtNcallback, cancel_popup, - (XtPointer) &AtomData); - - /* put the dialog boxes in it for the colors */ - - /* ************************************************ */ - /* allocate all the widgets */ - /* ************************************************ */ - - size = Common.natomcolors * sizeof(Widget); - - FGDialog = (Widget *) XtMalloc(size); - SizeDialog = (Widget *) XtMalloc(size); - Visible = (Widget *) XtMalloc(size); - Invisible = (Widget *) XtMalloc(size); - - /* ************************************************ */ - /* build the rest of the panel */ - /* ************************************************ */ - - last = apply; - - for(i = 0; i < Common.natomcolors; i++) { - j = i+1; - - sprintf(formname, "colorform%i", j); - sprintf(fgname, "color%i", j); - sprintf(fglabel, "Type %i Color", j); - sprintf(sizename, "size%i", j); - sprintf(sizelabel, "Type %i Diameter", j); - sprintf(vname, "visible%i", j); - sprintf(iname, "invisible%i", j); - - form = XtVaCreateManagedWidget(formname, formWidgetClass, - outerform, XtNfromVert, last, NULL); - - FGDialog[i] = XtVaCreateManagedWidget(fgname, - dialogWidgetClass, form, XtNlabel, fglabel, - XtNvalue, "white", NULL); - - SizeDialog[i] = XtVaCreateManagedWidget(sizename, - dialogWidgetClass, form, XtNlabel, sizelabel, - XtNvalue, "10", XtNfromHoriz, FGDialog[i], NULL); - - Visible[i] = XtVaCreateManagedWidget(vname, - toggleWidgetClass, form, XtNlabel, "Visible", - XtNstate, True, XtNfromVert, FGDialog[i], NULL); - - Invisible[i] = XtVaCreateManagedWidget(iname, - toggleWidgetClass, form, XtNlabel, "Invisible", - XtNstate, False, XtNradioGroup, Visible[i], - XtNfromHoriz, Visible[i], XtNfromVert, FGDialog[i], - NULL); - - XtAddCallback(Visible[i], XtNcallback, visible_toggle, - (XtPointer) i); - - XtAddCallback(Invisible[i], XtNcallback, visible_toggle, - (XtPointer) i); - - Common.atoms_visible[i] = True; - Common.diameter[i] = 10; - last = form; - } -} - -/* **************************************************************** */ - -PRIVATE void init_bg(Widget parent) -{ - Widget outerform; - Widget apply, cancel; - - /* create a popup shell for background color */ - - BackgroundPopup = XtCreatePopupShell("backcolors", - transientShellWidgetClass, TopLevel, NULL, ZERO); - - /* put a form widget in it for layout */ - - outerform = XtCreateManagedWidget("form", formWidgetClass, - BackgroundPopup, NULL, ZERO); - - /* add the buttons */ - - apply = XtCreateManagedWidget("apply", commandWidgetClass, - outerform, NULL, ZERO); - XtAddCallback(apply, XtNcallback, bg_apply, (XtPointer) NULL); - - cancel = XtVaCreateManagedWidget("cancel", commandWidgetClass, - outerform, XtNfromHoriz, apply, NULL); - XtAddCallback(cancel, XtNcallback, cancel_popup, - (XtPointer) &BackgroundData); - - /* put the dialog box in it for the color */ - - BGDialog = XtVaCreateManagedWidget("bg", dialogWidgetClass, - outerform, XtNfromVert, apply, NULL); -} - -/* **************************************************************** */ - -PRIVATE void init_file(Widget parent) -{ - Widget outerform; - Widget apply, cancel; - - /* create a popup shell for color file */ - - FileColorPopup = XtCreatePopupShell("filecolors", - transientShellWidgetClass, TopLevel, NULL, ZERO); - - /* put a form widget in it for layout */ - - outerform = XtCreateManagedWidget("form", formWidgetClass, - FileColorPopup, NULL, ZERO); - - /* add the buttons */ - - apply = XtCreateManagedWidget("apply", commandWidgetClass, - outerform, NULL, ZERO); - XtAddCallback(apply, XtNcallback, file_apply, (XtPointer) NULL); - - cancel = XtVaCreateManagedWidget("cancel", commandWidgetClass, - outerform, XtNfromHoriz, apply, NULL); - XtAddCallback(cancel, XtNcallback, cancel_popup, - (XtPointer) &FileColorData); - - /* put the dialog box in it for the filename */ - - FileDialog = XtVaCreateManagedWidget("file", dialogWidgetClass, - outerform, XtNfromVert, apply, NULL); -} - -PRIVATE void init_bonds(Widget parent) -{ - Widget outerform, form; - Widget apply, cancel, last; - char formname[80], fglabel[80], sizelabel[80]; - char fgname[80], sizename[80], vname[80], iname[80]; - int i, j; - size_t size; - - /* create a popup shell for bond colors */ - - BondPopup = XtCreatePopupShell("bondcolors", - transientShellWidgetClass, - TopLevel, NULL, ZERO); - - /* put a form widget in it for layout */ - - outerform = XtCreateManagedWidget("form", formWidgetClass, BondPopup, - NULL, ZERO); - - /* add the buttons */ - - apply = XtCreateManagedWidget("apply", commandWidgetClass, - outerform, NULL, ZERO); - XtAddCallback(apply, XtNcallback, bond_apply, - (XtPointer) NULL); - - cancel = XtVaCreateManagedWidget("cancel", commandWidgetClass, - outerform, XtNfromHoriz, apply, NULL); - XtAddCallback(cancel, XtNcallback, cancel_popup, - (XtPointer) &BondData); - - /* ************************************************ */ - /* allocate all the widgets */ - /* ************************************************ */ - - size = Common.nbondcolors * sizeof(Widget); - - BFGDialog = (Widget *) XtMalloc(size); - ThicknessDialog = (Widget *) XtMalloc(size); - BVisible = (Widget *) XtMalloc(size); - BInvisible = (Widget *) XtMalloc(size); - - /* ************************************************ */ - /* build the rest of the panel */ - /* ************************************************ */ - - last = apply; - - for(i = 0; i < Common.nbondcolors; i++) { - j = i+1; - - sprintf(formname, "bondform%i", j); - sprintf(fgname, "color%i", j); - sprintf(fglabel, "Bond Type %i Color", j); - sprintf(sizename, "thickness%i", j); - sprintf(sizelabel, "Bond Type %i Thickness",j); - sprintf(vname, "visible%i", j); - sprintf(iname, "invisible%i", j); - - form = XtVaCreateManagedWidget(formname, - formWidgetClass, outerform, XtNfromVert, - last, NULL); - - BFGDialog[i] = XtVaCreateManagedWidget(fgname, - dialogWidgetClass, form, XtNlabel, fglabel, - XtNvalue, "white", NULL); - - ThicknessDialog[i] = XtVaCreateManagedWidget(sizename, - dialogWidgetClass, form, XtNlabel, sizelabel, - XtNvalue, "1", XtNfromHoriz, BFGDialog[i], NULL); - - BVisible[i] = XtVaCreateManagedWidget(vname, - toggleWidgetClass, form, XtNlabel, "Visible", - XtNstate, True, XtNfromVert, BFGDialog[i], NULL); - - BInvisible[i] = XtVaCreateManagedWidget(iname, - toggleWidgetClass, form, XtNlabel, "Invisible", - XtNstate, False, XtNradioGroup, BVisible[i], - XtNfromHoriz, BVisible[i], XtNfromVert, BFGDialog[i], - NULL); - - XtAddCallback(BVisible[i], XtNcallback, bvisible_toggle, - (XtPointer) i); - - XtAddCallback(BInvisible[i], XtNcallback, bvisible_toggle, - (XtPointer) i); - - Common.bonds_visible[i] = True; - last = form; - } -} - -/* **************************************************************** */ - -PRIVATE void color_apply(Widget w, XtPointer client_data, XtPointer call_data) -{ - static String *fg, *size; - static Pixel *fgpixel; - static int *diam; - static Bool first = True; - - Boolean ok; - int i, n; - - - if (first) { - n = Common.natomcolors; - - fg = (String *) XtMalloc( n * sizeof(String) ); - size = (String *) XtMalloc( n * sizeof(String) ); - fgpixel = (Pixel *) XtMalloc( n * sizeof(Pixel) ); - diam = (int *) XtMalloc( n * sizeof(int) ); - - first = False; - } - - ok = True; - - for(i = 0; i < Common.natomcolors; i++) { - fg[i] = XawDialogGetValueString(FGDialog[i]); - fgpixel[i] = ConvertColorToPixel(FGDialog[i], fg[i]); - - if (fgpixel[i] == (Pixel) -1) { - ok = False; - XtVaSetValues(FGDialog[i], XtNvalue, - "-Invalid Color-", NULL); - } - - size[i] = XawDialogGetValueString(SizeDialog[i]); - diam[i] = atoi(size[i]); - - if (diam[i] < 1 || diam[i] > MAXDIAM) { - ok = False; - XtVaSetValues(SizeDialog[i], XtNvalue, - "-Invalid Size-", NULL); - } - } - - if (!ok){ - XBell(XtDisplay(BGDialog), 0); - return; - } - - SetAtomColors(fgpixel); - - for(i = 0; i < Common.natomcolors; i++) - Common.diameter[i] = diam[i]; - - SceneUpdate(); -} - -/* **************************************************************** */ - -PRIVATE void bond_apply(Widget w, XtPointer client_data, XtPointer call_data) -{ - static String *fg, *size; - static Pixel *fgpixel; - static Dimension *thick; - static Bool first = True; - - Boolean ok; - int i, n, ithick; - - if (first) { - n = Common.nbondcolors; - - fg = (String *) XtMalloc( n * sizeof(String) ); - size = (String *) XtMalloc( n * sizeof(String) ); - fgpixel = (Pixel *) XtMalloc( n * sizeof(Pixel) ); - thick = (Dimension *) XtMalloc( n * sizeof(Dimension) ); - - first = False; - } - - ok = True; - - for(i = 0; i < Common.nbondcolors; i++) { - fg[i] = XawDialogGetValueString(BFGDialog[i]); - fgpixel[i] = ConvertColorToPixel(BFGDialog[i], fg[i]); - - if (fgpixel[i] == (Pixel) -1) { - ok = False; - XtVaSetValues(BFGDialog[i], XtNvalue, - "-Invalid Color-", NULL); - } - - size[i] = XawDialogGetValueString(ThicknessDialog[i]); - ithick = atoi(size[i]); - - if (ithick < 1 || ithick > MAXTHICK) { - ok = False; - XtVaSetValues(ThicknessDialog[i], XtNvalue, - "-Invalid Size-", NULL); - } - thick[i] = ithick; - } - - if (!ok){ - XBell(XtDisplay(BGDialog), 0); - return; - } - - SetBondColors(fgpixel, thick); - - SceneUpdate(); -} - -/* **************************************************************** */ - -PRIVATE void bg_apply(Widget w, XtPointer client_data, XtPointer call_data) -{ - String bg; - Pixel bgpixel; - - bg = XawDialogGetValueString(BGDialog); - bgpixel = ConvertColorToPixel(BGDialog, bg); - - if (bgpixel == (Pixel) -1) { - XtVaSetValues(BGDialog, XtNvalue, "-Invalid Color-", NULL); - XBell(XtDisplay(BGDialog), 0); - return; - } - - SetBGColor(bgpixel); - - SceneUpdate(); -} - -PRIVATE Pixel ConvertColorToPixel(Widget w, String color) -{ - XrmValue from, to; - Pixel pixel; - - from.size = strlen(color) + 1; - from.addr = color; - /* SJP - 10/02, new Linux couldn't fine caddr_t */ - /* to.addr = (caddr_t) &pixel; */ - to.addr = (char *) &pixel; - to.size = sizeof(pixel); - - if (XtConvertAndStore(w, XtRString, (XrmValuePtr) &from, - XtRPixel, (XrmValuePtr) &to)) - return(pixel); - else - return( (Pixel) -1); -} - - -PRIVATE void file_apply(Widget w, XtPointer client_data, XtPointer call_data) -{ - String bg; - Pixel bgpixel; - static String *fg, *size; - static Pixel *fgpixel; - static int *diam; - static Bool first = True; - - int i, n; - - if (first) { - n = Common.natomcolors; - - fg = (String *) XtMalloc( n * sizeof(String) ); - size = (String *) XtMalloc( n * sizeof(String) ); - fgpixel = (Pixel *) XtMalloc( n * sizeof(Pixel) ); - diam = (int *) XtMalloc( n * sizeof(int) ); - - first = False; - } - - for(i = 0; i < Common.natomcolors; i++) { - fg[i] = "red"; - fgpixel[i] = ConvertColorToPixel(FGDialog[i], fg[i]); - - if (fgpixel[i] == (Pixel) -1) return; - - XtVaSetValues(FGDialog[i], XtNvalue, fg[i], NULL); - - size[i] = "20"; - diam[i] = atoi(size[i]); - - if (diam[i] < 1 || diam[i] > MAXDIAM) return; - XtVaSetValues(SizeDialog[i], XtNvalue, size[i], NULL); - } - - SetAtomColors(fgpixel); - - for(i = 0; i < Common.natomcolors; i++) - Common.diameter[i] = diam[i]; - - /* - Common.atoms_visible[0] = 0; - Common.atoms_visible[1] = 0; - Common.atoms_visible[2] = 0; - Common.atoms_visible[3] = 0; - */ - - bg = "green"; - bgpixel = ConvertColorToPixel(BGDialog, bg); - - if (bgpixel == (Pixel) -1) { - XtVaSetValues(BGDialog, XtNvalue, "-Invalid Color-", NULL); - XBell(XtDisplay(BGDialog), 0); - return; - } - - SetBGColor(bgpixel); - - SceneUpdate(); -} - -PRIVATE void visible_toggle(Widget w, XtPointer client_data, - XtPointer call_data) -{ - int i; - XtPointer data; - char c; - - i = (int) client_data; - - XtVaGetValues(w, XtNradioData, &data, NULL); - - c = *((char *) data); - - Common.atoms_visible[i] = c == 'v'; -} - -PRIVATE void bvisible_toggle(Widget w, XtPointer client_data, - XtPointer call_data) -{ - int i; - XtPointer data; - char c; - - i = (int) client_data; - - XtVaGetValues(w, XtNradioData, &data, NULL); - - c = *((char *) data); - - Common.bonds_visible[i] = c == 'v'; -} diff --git a/tools/xmovie/dummy.c b/tools/xmovie/dummy.c deleted file mode 100644 index f4d988ec5..000000000 --- a/tools/xmovie/dummy.c +++ /dev/null @@ -1,63 +0,0 @@ -/* program to generate dummy data set */ -/* Mike Uttormark 7/16/92 */ -/* Sandia Nat'l Labs 1421 */ -/* On leave from University of Wisconsin--Madison */ - -#include -#include -#include - -#define RANGE 5.0 -#define STEPS 2000 -#define PI 3.14159 -#define S 50 - -#ifdef MISSINGDEFS -int printf(char *, ...); -#endif - -int main(int argc, char **argv); - -int main(int argc, char **argv) -{ - int i, j, step, npart; - int nsteps; - - if (argc < 2) - nsteps = STEPS; - else - nsteps = atoi(argv[1]); - - if (argc < 3) - npart = 1; - else - npart = atoi(argv[2]); - - for(step = 0; step < nsteps; step++) { - - printf("ITEM: TIME\n%g\n", (float) step); - - if (step == 0) { - printf("ITEM: BOUNDS\n"); - for (i = 3; i; i--) - printf("%g, %g\n", -RANGE, RANGE); - } - printf("ITEM: POSITIONS\n"); - - for( j = 0; j < npart; j++) - printf("%i, %i, %g, %g, %g\n", - j+1, - 1 + j%4, - RANGE*sin(2*PI*(step+j)/S), - RANGE*cos(0.25*PI*(step+j)/S), - RANGE*sin(5*PI*(step+j)/S)); - - if (npart > 1) { - printf("ITEM: BONDS\n"); - for ( j = 0; j < npart-1; j++) - printf("%i %i %i\n", 1 + j%4, j+1, j+2); - } - } -} - - diff --git a/tools/xmovie/dummy.dat b/tools/xmovie/dummy.dat deleted file mode 100755 index 708e83d1f..000000000 --- a/tools/xmovie/dummy.dat +++ /dev/null @@ -1,8004 +0,0 @@ -ITEM: TIME -0 -ITEM: BOUNDS --5, 5 --5, 5 --5, 5 -ITEM: POSITIONS -1, 1, 0, 5, 0 -ITEM: TIME -1 -ITEM: POSITIONS -1, 1, 0.626666, 4.99938, 1.54508 -ITEM: TIME -2 -ITEM: POSITIONS -1, 1, 1.24345, 4.99753, 2.93892 -ITEM: TIME -3 -ITEM: POSITIONS -1, 1, 1.84062, 4.99445, 4.04508 -ITEM: TIME -4 -ITEM: POSITIONS -1, 1, 2.40877, 4.99013, 4.75528 -ITEM: TIME -5 -ITEM: POSITIONS -1, 1, 2.93892, 4.98459, 5 -ITEM: TIME -6 -ITEM: POSITIONS -1, 1, 3.42273, 4.97781, 4.75529 -ITEM: TIME -7 -ITEM: POSITIONS -1, 1, 3.85256, 4.9698, 4.04509 -ITEM: TIME -8 -ITEM: POSITIONS -1, 1, 4.22164, 4.96057, 2.93893 -ITEM: TIME -9 -ITEM: POSITIONS -1, 1, 4.52413, 4.95012, 1.5451 -ITEM: TIME -10 -ITEM: POSITIONS -1, 1, 4.75528, 4.93844, 1.32679e-05 -ITEM: TIME -11 -ITEM: POSITIONS -1, 1, 4.91144, 4.92555, -1.54507 -ITEM: TIME -12 -ITEM: POSITIONS -1, 1, 4.99013, 4.91144, -2.93891 -ITEM: TIME -13 -ITEM: POSITIONS -1, 1, 4.99013, 4.89611, -4.04507 -ITEM: TIME -14 -ITEM: POSITIONS -1, 1, 4.91144, 4.87958, -4.75528 -ITEM: TIME -15 -ITEM: POSITIONS -1, 1, 4.75529, 4.86185, -5 -ITEM: TIME -16 -ITEM: POSITIONS -1, 1, 4.52414, 4.84292, -4.75529 -ITEM: TIME -17 -ITEM: POSITIONS -1, 1, 4.22164, 4.82279, -4.0451 -ITEM: TIME -18 -ITEM: POSITIONS -1, 1, 3.85257, 4.80147, -2.93895 -ITEM: TIME -19 -ITEM: POSITIONS -1, 1, 3.42274, 4.77897, -1.54511 -ITEM: TIME -20 -ITEM: POSITIONS -1, 1, 2.93893, 4.75528, -2.65359e-05 -ITEM: TIME -21 -ITEM: POSITIONS -1, 1, 2.40878, 4.73043, 1.54506 -ITEM: TIME -22 -ITEM: POSITIONS -1, 1, 1.84063, 4.7044, 2.9389 -ITEM: TIME -23 -ITEM: POSITIONS -1, 1, 1.24346, 4.67722, 4.04507 -ITEM: TIME -24 -ITEM: POSITIONS -1, 1, 0.626679, 4.64888, 4.75527 -ITEM: TIME -25 -ITEM: POSITIONS -1, 1, 1.32679e-05, 4.6194, 5 -ITEM: TIME -26 -ITEM: POSITIONS -1, 1, -0.626652, 4.58877, 4.75529 -ITEM: TIME -27 -ITEM: POSITIONS -1, 1, -1.24344, 4.55702, 4.04511 -ITEM: TIME -28 -ITEM: POSITIONS -1, 1, -1.84061, 4.52414, 2.93896 -ITEM: TIME -29 -ITEM: POSITIONS -1, 1, -2.40875, 4.49014, 1.54512 -ITEM: TIME -30 -ITEM: POSITIONS -1, 1, -2.93891, 4.45503, 3.98038e-05 -ITEM: TIME -31 -ITEM: POSITIONS -1, 1, -3.42272, 4.41883, -1.54505 -ITEM: TIME -32 -ITEM: POSITIONS -1, 1, -3.85256, 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-4.04658 -ITEM: TIME -1918 -ITEM: POSITIONS -1, 1, 3.85321, 1.39483, -2.94098 -ITEM: TIME -1919 -ITEM: POSITIONS -1, 1, 3.42348, 1.47008, -1.54751 -ITEM: TIME -1920 -ITEM: POSITIONS -1, 1, 2.93975, 1.54496, -0.00254745 -ITEM: TIME -1921 -ITEM: POSITIONS -1, 1, 2.40966, 1.61947, 1.54266 -ITEM: TIME -1922 -ITEM: POSITIONS -1, 1, 1.84157, 1.69357, 2.93686 -ITEM: TIME -1923 -ITEM: POSITIONS -1, 1, 1.24444, 1.76725, 4.04358 -ITEM: TIME -1924 -ITEM: POSITIONS -1, 1, 0.627679, 1.8405, 4.75449 -ITEM: TIME -1925 -ITEM: POSITIONS -1, 1, 0.00102163, 1.9133, 5 -ITEM: TIME -1926 -ITEM: POSITIONS -1, 1, -0.625652, 1.98562, 4.75607 -ITEM: TIME -1927 -ITEM: POSITIONS -1, 1, -1.24246, 2.05746, 4.04659 -ITEM: TIME -1928 -ITEM: POSITIONS -1, 1, -1.83967, 2.12878, 2.941 -ITEM: TIME -1929 -ITEM: POSITIONS -1, 1, -2.40787, 2.19958, 1.54752 -ITEM: TIME -1930 -ITEM: POSITIONS -1, 1, -2.9381, 2.26984, 0.00256071 -ITEM: TIME -1931 -ITEM: POSITIONS -1, 1, -3.42199, 2.33954, -1.54265 -ITEM: TIME -1932 -ITEM: POSITIONS -1, 1, -3.85191, 2.40866, -2.93685 -ITEM: TIME -1933 -ITEM: POSITIONS -1, 1, -4.22109, 2.47718, -4.04358 -ITEM: TIME -1934 -ITEM: POSITIONS -1, 1, -4.5237, 2.5451, -4.75449 -ITEM: TIME -1935 -ITEM: POSITIONS -1, 1, -4.75497, 2.61238, -5 -ITEM: TIME -1936 -ITEM: POSITIONS -1, 1, -4.91124, 2.67903, -4.75608 -ITEM: TIME -1937 -ITEM: POSITIONS -1, 1, -4.99007, 2.74501, -4.0466 -ITEM: TIME -1938 -ITEM: POSITIONS -1, 1, -4.9902, 2.81031, -2.94101 -ITEM: TIME -1939 -ITEM: POSITIONS -1, 1, -4.91163, 2.87492, -1.54753 -ITEM: TIME -1940 -ITEM: POSITIONS -1, 1, -4.7556, 2.93882, -0.00257398 -ITEM: TIME -1941 -ITEM: POSITIONS -1, 1, -4.52457, 3.002, 1.54264 -ITEM: TIME -1942 -ITEM: POSITIONS -1, 1, -4.22219, 3.06443, 2.93684 -ITEM: TIME -1943 -ITEM: POSITIONS -1, 1, -3.85322, 3.12611, 4.04357 -ITEM: TIME -1944 -ITEM: POSITIONS -1, 1, -3.42349, 3.18702, 4.75448 -ITEM: TIME -1945 -ITEM: POSITIONS -1, 1, -2.93976, 3.24714, 5 -ITEM: TIME -1946 -ITEM: POSITIONS -1, 1, -2.40967, 3.30646, 4.75608 -ITEM: TIME -1947 -ITEM: POSITIONS -1, 1, -1.84158, 3.36497, 4.0466 -ITEM: TIME -1948 -ITEM: POSITIONS -1, 1, -1.24445, 3.42264, 2.94102 -ITEM: TIME -1949 -ITEM: POSITIONS -1, 1, -0.627692, 3.47947, 1.54754 -ITEM: TIME -1950 -ITEM: POSITIONS -1, 1, -0.0010349, 3.53544, 0.00258725 -ITEM: TIME -1951 -ITEM: POSITIONS -1, 1, 0.625639, 3.59054, -1.54262 -ITEM: TIME -1952 -ITEM: POSITIONS -1, 1, 1.24245, 3.64475, -2.93683 -ITEM: TIME -1953 -ITEM: POSITIONS -1, 1, 1.83966, 3.69807, -4.04356 -ITEM: TIME -1954 -ITEM: POSITIONS -1, 1, 2.40786, 3.75047, -4.75448 -ITEM: TIME -1955 -ITEM: POSITIONS -1, 1, 2.93809, 3.80195, -5 -ITEM: TIME -1956 -ITEM: POSITIONS -1, 1, 3.42198, 3.85248, -4.75608 -ITEM: TIME -1957 -ITEM: POSITIONS -1, 1, 3.8519, 3.90207, -4.04661 -ITEM: TIME -1958 -ITEM: POSITIONS -1, 1, 4.22108, 3.9507, -2.94103 -ITEM: TIME -1959 -ITEM: POSITIONS -1, 1, 4.52369, 3.99835, -1.54756 -ITEM: TIME -1960 -ITEM: POSITIONS -1, 1, 4.75496, 4.04501, -0.00260052 -ITEM: TIME -1961 -ITEM: POSITIONS -1, 1, 4.91124, 4.09067, 1.54261 -ITEM: TIME -1962 -ITEM: POSITIONS -1, 1, 4.99007, 4.13533, 2.93682 -ITEM: TIME -1963 -ITEM: POSITIONS -1, 1, 4.9902, 4.17897, 4.04355 -ITEM: TIME -1964 -ITEM: POSITIONS -1, 1, 4.91163, 4.22157, 4.75448 -ITEM: TIME -1965 -ITEM: POSITIONS -1, 1, 4.7556, 4.26313, 5 -ITEM: TIME -1966 -ITEM: POSITIONS -1, 1, 4.52458, 4.30364, 4.75609 -ITEM: TIME -1967 -ITEM: POSITIONS -1, 1, 4.2222, 4.34309, 4.04662 -ITEM: TIME -1968 -ITEM: POSITIONS -1, 1, 3.85323, 4.38147, 2.94104 -ITEM: TIME -1969 -ITEM: POSITIONS -1, 1, 3.4235, 4.41877, 1.54757 -ITEM: TIME -1970 -ITEM: POSITIONS -1, 1, 2.93977, 4.45497, 0.00261379 -ITEM: TIME -1971 -ITEM: POSITIONS -1, 1, 2.40968, 4.49008, -1.5426 -ITEM: TIME -1972 -ITEM: POSITIONS -1, 1, 1.8416, 4.52408, -2.93681 -ITEM: TIME -1973 -ITEM: POSITIONS -1, 1, 1.24446, 4.55696, -4.04355 -ITEM: TIME -1974 -ITEM: POSITIONS -1, 1, 0.627706, 4.58872, -4.75447 -ITEM: TIME -1975 -ITEM: POSITIONS -1, 1, 0.00104817, 4.61935, -5 -ITEM: TIME -1976 -ITEM: POSITIONS -1, 1, -0.625626, 4.64883, -4.75609 -ITEM: TIME -1977 -ITEM: POSITIONS -1, 1, -1.24243, 4.67717, -4.04663 -ITEM: TIME -1978 -ITEM: POSITIONS -1, 1, -1.83965, 4.70436, -2.94105 -ITEM: TIME -1979 -ITEM: POSITIONS -1, 1, -2.40785, 4.73038, -1.54758 -ITEM: TIME -1980 -ITEM: POSITIONS -1, 1, -2.93808, 4.75524, -0.00262705 -ITEM: TIME -1981 -ITEM: POSITIONS -1, 1, -3.42197, 4.77893, 1.54259 -ITEM: TIME -1982 -ITEM: POSITIONS -1, 1, -3.8519, 4.80143, 2.9368 -ITEM: TIME -1983 -ITEM: POSITIONS -1, 1, -4.22108, 4.82275, 4.04354 -ITEM: TIME -1984 -ITEM: POSITIONS -1, 1, -4.52369, 4.84288, 4.75447 -ITEM: TIME -1985 -ITEM: POSITIONS -1, 1, -4.75496, 4.86182, 5 -ITEM: TIME -1986 -ITEM: POSITIONS -1, 1, -4.91124, 4.87956, 4.7561 -ITEM: TIME -1987 -ITEM: POSITIONS -1, 1, -4.99007, 4.89609, 4.04663 -ITEM: TIME -1988 -ITEM: POSITIONS -1, 1, -4.9902, 4.91141, 2.94106 -ITEM: TIME -1989 -ITEM: POSITIONS -1, 1, -4.91163, 4.92552, 1.54759 -ITEM: TIME -1990 -ITEM: POSITIONS -1, 1, -4.75561, 4.93842, 0.00264032 -ITEM: TIME -1991 -ITEM: POSITIONS -1, 1, -4.52459, 4.9501, -1.54257 -ITEM: TIME -1992 -ITEM: POSITIONS -1, 1, -4.22221, 4.96056, -2.93679 -ITEM: TIME -1993 -ITEM: POSITIONS -1, 1, -3.85324, 4.96979, -4.04353 -ITEM: TIME -1994 -ITEM: POSITIONS -1, 1, -3.42351, 4.9778, -4.75446 -ITEM: TIME -1995 -ITEM: POSITIONS -1, 1, -2.93978, 4.98458, -5 -ITEM: TIME -1996 -ITEM: POSITIONS -1, 1, -2.4097, 4.99013, -4.7561 -ITEM: TIME -1997 -ITEM: POSITIONS -1, 1, -1.84161, 4.99444, -4.04664 -ITEM: TIME -1998 -ITEM: POSITIONS -1, 1, -1.24448, 4.99753, -2.94107 -ITEM: TIME -1999 -ITEM: POSITIONS -1, 1, -0.627719, 4.99938, -1.54761 diff --git a/tools/xmovie/hpsort.c b/tools/xmovie/hpsort.c deleted file mode 100644 index 4b08c7384..000000000 --- a/tools/xmovie/hpsort.c +++ /dev/null @@ -1,43 +0,0 @@ -/* Numerical Recipes heap sort, modified to be like C library qsort */ - -/* accepts arbitrary objects to be sorted, user provides compare function - this routine sorts a F77-style array indexed from 1-n - thus you MUST call it from C with hpsort(ra-1, ) to offset C ptr by -1 - also added multiply-array-index-by-size to enable arbitrary objects -*/ - -void hpsort(char *ra, int n, int size, - int (*cmp)(const void *, const void *)) -{ - unsigned long i,ir,j,l; - char *rra; - - if (n < 2) return; - l = (n >> 1)+1; - ir = n; - rra = (char *) malloc(size); - for (;;) { - if (l > 1) { - memcpy(rra,&ra[(--l)*size],size); - } else { - memcpy(rra,&ra[ir*size],size); - memcpy(&ra[ir*size],&ra[1*size],size); - if (--ir == 1) { - memcpy(&ra[1*size],rra,size); - break; - } - } - i = l; - j = l+l; - while (j <= ir) { - if (j < ir && (*cmp)(&ra[j*size],&ra[(j+1)*size]) < 0) j++; - if ((*cmp)(rra,&ra[j*size]) < 0) { - memcpy(&ra[i*size],&ra[j*size],size); - i = j; - j <<= 1; - } else j = ir+1; - } - memcpy(&ra[i*size],rra,size); - } - free(rra); -} diff --git a/tools/xmovie/read.c b/tools/xmovie/read.c deleted file mode 100644 index 8c4556250..000000000 --- a/tools/xmovie/read.c +++ /dev/null @@ -1,1239 +0,0 @@ -/* **************************************************************** */ -/* functions to read data from files */ - -#include -#include -#include -#include -#include - -/* commented this out for SGI gcc compiler -#ifdef INCL_FLOAT -double strtod(char *s, char **t); -long strtol(char *s, char **t, int base); -#endif -*/ - -#include - -extern FILE *popen(const char *, const char *); -extern int pclose(FILE *); - -#include "xmovie.h" - -#define LINELEN 256 -#define WHITESPACE " \f\n\r\t\v" -#define SEPARATORS ",;:" WHITESPACE -#define NPRINT 500 -#define NREAD 50 -#define NBREAD 2000 - -#define ERROR -1 -#define END_OF_FILE 1 -#define BEING_NICE 2 -#define READ_OK 3 -#define LOOK_FOR_ITEM 10 -#define LOOK_FOR_BOUNDS 11 -#define LOOK_FOR_POSITIONS 12 -#define LOOK_FOR_TIME 13 -#define LOOK_FOR_BONDS 14 - -#define BAD_STATE -2 - -#define ALL_DONE TRUE -#define MORE_TO_READ FALSE - -/* **************************************************************** */ -/* local typedefs */ - -typedef struct { - char *string; - int state; - } PARSETABLE; - -#define NPARSE(x) (sizeof(x)/sizeof(PARSETABLE)) - -typedef struct { - int nfiles; - char **fnames; - FILE *file; - int in_read; - int is_compressed; - int is_binary; - } READDATA; - -typedef int (*PFI)(); - -typedef struct { - RECORD record_id; - PFI reader; - } READER; - -/* **************************************************************** */ -/* local prototypes */ - -PRIVATE int DoSomeReading(void); -PRIVATE int ReadSomeBinary(void); -PRIVATE int parser(char *token, PARSETABLE *table, int cnt); -PRIVATE int get_bounds(FILE *file, char *line); -PRIVATE int get_positions(FILE *file, char *line); -PRIVATE int get_time(FILE *file, char *line); -PRIVATE int get_bonds(FILE *file, char *line); -PRIVATE int copy_bonds(void); -PRIVATE void add_point(int index, int type, float x, float y, float z); -PRIVATE void add_bond(int type, int index1, int index2); -PRIVATE void NewData(void); -PRIVATE void ShowStatus(void); -PRIVATE char *RemoveNL(char *s); -PRIVATE int getline(FILE *file, char *line); -PRIVATE int get_float(char **s, float *f); -PRIVATE int get_int(char **s, int *i); -PRIVATE void ungetline(void); -PRIVATE int LineIsBlank(char *s); -PRIVATE void SortData(DATA *dptr); -PRIVATE int compare_atypes(POSITION *a, POSITION *b); -PRIVATE int compare_btypes(BOND *a, BOND *b); -PRIVATE int IsCompressed(char *s); -PRIVATE int IsBinary(char *s); -PRIVATE int TestBinary(FILE *f, int rewind); -PRIVATE FILE *GetCompressed(char *s); -PRIVATE FILE *OpenFile(char *s, int compressed, int binary); -PRIVATE READER *GetReader(RECORD record_id); -PRIVATE int ReadTime(FILE *f, LENGTH length); -PRIVATE int ReadBound(FILE *f, LENGTH length); -PRIVATE int ReadPosition(FILE *f, LENGTH length); -PRIVATE int ReadBond(FILE *f, LENGTH length); -PRIVATE int CopyBond(FILE *f, LENGTH length); -PRIVATE int ReadRecordHeader(FILE *f, RECORD *record, LENGTH *length); - -/* **************************************************************** */ -/* local data */ - -/* include last 3 out-of-date item names in PARSETABLE for compatability */ - -static PARSETABLE parse_table[] = { - { "TIMESTEP", LOOK_FOR_TIME }, - { "BOX BOUNDS", LOOK_FOR_BOUNDS }, - { "ATOMS", LOOK_FOR_POSITIONS }, - { "BONDS", LOOK_FOR_BONDS }, - { "TIME", LOOK_FOR_TIME }, - { "BOUNDS", LOOK_FOR_BOUNDS }, - { "POSITIONS", LOOK_FOR_POSITIONS }, - }; - -static DATA *current_data = (DATA *) NULL; -static int seen_time = 0; -static int npositions = 0; -static int nlines = 0; -static int nbonds = 0; -static int read_this_time = 0; - -static READDATA ReadData = { - 0, /* nfiles */ - NULL, /* filenames */ - NULL, /* file pointer */ - 0, /* not in read */ - 0, /* not compressed */ - 0, /* not binary */ - }; - -static READER read_table[] = { - { TimeID, ReadTime }, - { BoundID, ReadBound }, - { PositionID, ReadPosition }, - { BondID, ReadBond }, - { CopyBondID, CopyBond }, - }; - -/* **************************************************************** */ - -void InitRead(int nfiles, char **fnames) -{ - static char *Stdin = "stdin"; - - if (nfiles > 0) { - ReadData.nfiles = nfiles; - ReadData.fnames = fnames; - return; - } - - if (isatty(fileno(stdin))) { - Usage(); - exit(0); - } - - ReadData.nfiles = 1; - ReadData.fnames = &Stdin; - ReadData.file = stdin; - ReadData.in_read = 1; - ReadData.is_binary = TestBinary(stdin, TRUE); - - if (ReadData.is_binary) - fseek(stdin, 2*sizeof(INT4), SEEK_CUR); /* skip header */ -} - -Boolean ReadProc(XtPointer client_data) -{ - char err_msg[512]; - char *file_type; - - if (ReadData.in_read) goto do_read; - - next_file: - - if (ReadData.nfiles <= 0) { - ShowStatus(); - SortData(current_data); - return(ALL_DONE); - } - - ReadData.is_compressed = FALSE; - ReadData.is_binary = FALSE; - - ReadData.is_compressed = IsCompressed(*ReadData.fnames); - - if (ReadData.is_compressed) { - file_type = "compressed"; - goto open_file; - } - - ReadData.is_binary = IsBinary(*ReadData.fnames); - if (ReadData.is_binary) { - file_type = "binary"; - goto open_file; - } - - - file_type = "ascii"; - goto open_file; - - open_file: - - ReadData.file = OpenFile(*ReadData.fnames, - ReadData.is_compressed, ReadData.is_binary); - if (ReadData.file == (FILE *) NULL) { - sprintf(err_msg, - "Frames: %i Positions: %i Bonds: %i\n" - "Error: unable to open %s file \"%s\".\n" - "Read aborted.", - Common.ndata, npositions, nbonds, - file_type, *ReadData.fnames); - SetReadString(err_msg); - SortData(current_data); - return(ALL_DONE); - } - - ReadData.in_read = 1; - nlines = 0; - ShowStatus(); - - do_read: - - switch(DoSomeReading()) { - case END_OF_FILE: - if (ReadData.is_compressed) - pclose(ReadData.file); - else - if (strcmp("stdin",*ReadData.fnames)) - fclose(ReadData.file); - ReadData.in_read = 0; - ReadData.nfiles--; - ReadData.fnames++; - goto next_file; - case ERROR: - SortData(current_data); - return(ALL_DONE); - case BEING_NICE: - break; - default: - fprintf(stderr,"Don't know how I got here: ReadProc.\n"); - exit(0); - } - - return(MORE_TO_READ); -} - -PRIVATE int IsCompressed(char *s) -{ - register char *t; - - t = s + strlen(s) - 3; - if (t < s) return(FALSE); - return(!strcmp(t,".gz")); -} - -PRIVATE int IsBinary(char *s) -{ - FILE *f; - int ok; - - if ((FILE *) NULL == (f = fopen(s, "r"))) return(FALSE); - - ok = TestBinary(f, FALSE); - fclose(f); - - return(ok); -} - -PRIVATE int TestBinary(FILE *f, int rewind) -{ - union { - INT4 magic; - char c[sizeof(INT4)]; - } u; - int i; - - if (1 != fread(&u.magic, sizeof(u.magic), 1, f)) return(FALSE); - - if (rewind) - for(i = sizeof(u); i; i--) - ungetc(u.c[i-1], f); - - return(u.magic == MagicNumber); -} - -PRIVATE FILE *GetCompressed(char *name) -{ - char cmd[256]; - - sprintf(cmd, "gunzip -c %s", name); - return(popen(cmd,"r")); -} - -PRIVATE FILE *OpenFile(char *name, int compressed, int binary) -{ - FILE *f; - - if (compressed) return(GetCompressed(name)); - - f = fopen(name, "r"); - if (f == (FILE *) NULL) return(f); - - if (binary) fseek(f, 2*sizeof(INT4), SEEK_CUR); - - return(f); -} - -PRIVATE int DoSomeReading(void) -{ - static int state = LOOK_FOR_ITEM; - static char line[LINELEN]; - static char token[LINELEN]; - static char *t; - int ntries; - int newstate; - char err_msg[512]; - - if (ReadData.is_binary) return(ReadSomeBinary()); - - read_this_time = 0; - - begin: - - switch(state) { - case LOOK_FOR_ITEM: - ntries = 0; - while(1) { - ntries++; - if (ntries > 100) return(BEING_NICE); - - if (!getline(ReadData.file, line)) - return(END_OF_FILE); - t = strtok(line, WHITESPACE); - if (!t) continue; - if (strcmp(t, "ITEM:")) continue; - - t = strtok(NULL, WHITESPACE); - if (!t) continue; - sprintf(token,"%s",t); - - t = strtok(NULL, WHITESPACE); - while (t != NULL) { - sprintf(token,"%s %s",token,t); - t = strtok(NULL, WHITESPACE); - } - - newstate = parser(token, - parse_table,NPARSE(parse_table)); - - if (newstate == BAD_STATE) continue; - state = newstate; - goto begin; - } - case LOOK_FOR_TIME: - if (!get_time(ReadData.file, line)) goto print_error; - state = LOOK_FOR_ITEM; - goto begin; - case LOOK_FOR_BOUNDS: - if (!get_bounds(ReadData.file, line)) goto print_error; - state = LOOK_FOR_ITEM; - goto begin; - case LOOK_FOR_POSITIONS: - case LOOK_FOR_BONDS: - switch((state == LOOK_FOR_POSITIONS) ? - get_positions(ReadData.file, line) : - get_bonds(ReadData.file, line)) { - case END_OF_FILE: - state = LOOK_FOR_ITEM; - return(END_OF_FILE); - case BEING_NICE: - return(BEING_NICE); - case LOOK_FOR_ITEM: - state = LOOK_FOR_ITEM; - return(BEING_NICE); - case ERROR: - default: - goto print_error; - } - - case BAD_STATE: - default: - fprintf(stderr,"Error: read state corrupted: %i\n", state); - exit(0); - } - - print_error: - - sprintf(err_msg,"Frames: %i Positions: %i Bonds: %i\n" - "Error occurred at line %i\n" - "Processing ITEM: %s\n" - "Line = \"%s\"\n" - "Read aborted.", - Common.ndata, npositions, nbonds, nlines, token, - RemoveNL(line)); - - SetReadString(err_msg); - - return(ERROR); - - /* exit(0); */ - -} - -/* **************************************************************** */ - -PRIVATE int parser(char *token, PARSETABLE *table, int cnt) -{ - PARSETABLE *t; - int i; - - for(i = cnt, t = table; i; i--, t++) - if (strstr(token,t->string) == token) - return t->state; - return(BAD_STATE); -} - -/* **************************************************************** */ - -PRIVATE int get_bounds(FILE *file, char *line) -{ - int i, n, changed; - char *t; - BOUND *b, *cb; - - if (!current_data) NewData(); - - n = (Common.two_d) ? 2 : 3; - - for(i = 0; i < n; i++){ - if (!getline(file, line)) return(0); - - t = line; - - if (!get_float(&t, &(current_data->bounds[i].low))) - return(0); - - if (!get_float(&t, &(current_data->bounds[i].high))) - return(0); - } - - if (Common.two_d) { - current_data->bounds[2].low = -0.01; - current_data->bounds[2].high = 0.01; - } - - changed = 0; - for(b=current_data->bounds,cb=Common.bounds,i=3; i;i--,b++,cb++){ - if (b->low < cb->low) { - cb->low = b->low; - changed = 1; - } - if (b->high > cb->high) { - cb->high = b->high; - changed = 1; - } - } - - if (changed) NewDataSetup(); - - return(1); -} - -PRIVATE int get_positions(FILE *file, char *line) -{ - char *t; - float x, y, z; - float xlow,xhigh,ylow,yhigh,zlow,zhigh,dx,dy,dz; - int index, type; - - if (!current_data) NewData(); - - if (Common.copy_bond) copy_bonds(); - - if (Common.remap || Common.scaleflag) { - xlow = current_data->bounds[0].low; - xhigh = current_data->bounds[0].high; - dx = xhigh - xlow; - ylow = current_data->bounds[1].low; - yhigh = current_data->bounds[1].high; - dy = yhigh - ylow; - if (!Common.two_d) { - zlow = current_data->bounds[2].low; - zhigh = current_data->bounds[2].high; - dz = zhigh - zlow; - } - } - - z = 0.0; - - while(1) { - - if (read_this_time++ > NREAD) return(BEING_NICE); - - if (!getline(file, line)) return(END_OF_FILE); - - t = line; - - if (!get_int(&t, &index)){ - ungetline(); - return(LOOK_FOR_ITEM); - } - - if (!get_int(&t, &type)) return(ERROR); - - if (!get_float(&t, &x)) return(ERROR); - if (!get_float(&t, &y)) return(ERROR); - - if (!Common.two_d) - if (!get_float(&t, &z)) return(ERROR); - - if (type < 1 || type > Common.natomcolors) type = 1; - - if (Common.remap) { - if (x-xlow >= 0.0) - x = fmod(x-xlow,dx) + xlow; - else - x = xhigh + fmod(x-xlow,dx); - if (y-ylow >= 0.0) - y = fmod(y-ylow,dy) + ylow; - else - y = yhigh + fmod(y-ylow,dy); - if (!Common.two_d) { - if (z-zlow >= 0.0) - z = fmod(z-zlow,dz) + zlow; - else - z = zhigh + fmod(z-zlow,dz); - } - } - - if (Common.scaleflag) { - x = xlow + x*dx; - y = ylow + y*dy; - if (!Common.two_d) z = zlow + z*dz; - } - - add_point(index, type, x, y, z); - - npositions++; - - if ((nbonds + npositions) % NPRINT == 0) ShowStatus(); - - } - - return(1); -} - -PRIVATE int get_bonds(FILE *file, char *line) -{ - char *t; - int type, index1, index2; - - if (!current_data) NewData(); - - while(1) { - - if (read_this_time++ > NREAD) return(BEING_NICE); - - if (!getline(file, line)) return(END_OF_FILE); - - t = line; - - if (!get_int(&t, &type)){ - ungetline(); - return(LOOK_FOR_ITEM); - } - - if (!get_int(&t, &index1)) return(ERROR); - if (!get_int(&t, &index2)) return(ERROR); - - if (type < 1 || type > Common.nbondcolors) type = 1; - - add_bond(type, index1, index2); - - nbonds++; - - if ((nbonds + npositions) % NPRINT == 0) ShowStatus(); - } - - return(1); -} - -PRIVATE int get_time(FILE *file, char *line) -{ - char *t; - - if (!current_data || seen_time) NewData(); - seen_time = 1; - - if (!getline(file, line)) return(0); - - t = line; - - if (!get_float(&t, &(current_data->time))) return(0); - - return(1); -} - -PRIVATE int copy_bonds() -{ - DATA *last_data; - int i; - BOND *b1, *b2; - - if (Common.ndata < 2) return(0); - - last_data = current_data-1; - - current_data->nbonds = last_data->nbonds; - current_data->maxbonds = last_data->maxbonds; - - current_data->bonds = - (BOND *) XtMalloc(current_data->maxbonds * sizeof(BOND)); - - b1 = current_data->bonds; - b2 = last_data->bonds; - for(i = current_data->nbonds; i ; i--, b1++, b2++) - *b1 = *b2; - - return(1); -} - -/* **************************************************************** */ - - -PRIVATE char *RemoveNL(char *s) -{ - register char *t; - - if (!s) return(s); - - if ((t = s + strlen(s) - 1) < s) return(s); - if (*t == '\n') *t = '\0'; - - return(s); -} - -static int got_line = 0; - -PRIVATE int getline(FILE *file, char *line) -{ - int result; - - if (got_line) { - got_line = 0; - return(1); - } - - do { - nlines++; - result = (fgets(line, LINELEN, file) != NULL); - } while( result && LineIsBlank(line) ); - - return(result); -} - -PRIVATE void ungetline(void) -{ - got_line = 1; -} - -PRIVATE int LineIsBlank(char *s) -{ - register char *t; - - t = s + strspn(s, WHITESPACE); - return( *t == '\0' ); -} - -PRIVATE int get_int(char **s, int *i) -{ - register char *t; - - t = *s + strspn(*s, SEPARATORS); - *i = strtol(t, s, 10); - - return(t != *s); -} - -PRIVATE int get_float(char **s, float *f) -{ - register char *t; - - t = *s + strspn(*s, SEPARATORS); - *f = strtod(t, s); - - return(t != *s); -} - -/* **************************************************************** */ - -PRIVATE void NewData(void) -{ - int i; - DATA *last_data,*olddataptr; - - olddataptr = Common.dataptr; - last_data = current_data; - - if (Common.ndata >= Common.maxdata) { /* need to realloc */ - Common.maxdata += 256; - Common.dataptr = (DATA *) - XtMalloc(Common.maxdata * sizeof(DATA)); - memcpy(Common.dataptr,olddataptr,Common.ndata*sizeof(DATA)); - } - - current_data = Common.dataptr + Common.ndata; - Common.ndata++; - - current_data->natypes = - (INT4 *) XtMalloc(Common.natomcolors * sizeof(INT4)); - - for(i = 0; i < Common.natomcolors; i++) - current_data->natypes[i] = 0; - - current_data->nbtypes = - (INT4 *) XtMalloc(Common.nbondcolors * sizeof(INT4)); - - for(i = 0; i < Common.nbondcolors; i++) - current_data->nbtypes[i] = 0; - - if (Common.ndata > 1) { - current_data->time = last_data->time; - - for(i = 0; i < 3; i++) - current_data->bounds[i] = last_data->bounds[i]; - - current_data->maxatoms = last_data->natoms; - current_data->positions = (POSITION *) - XtMalloc(last_data->natoms * sizeof(POSITION)); - - current_data->natoms = 0; - - current_data->maxbonds = last_data->nbonds; - current_data->bonds = (BOND *) - XtMalloc(last_data->nbonds * sizeof(BOND)); - - current_data->nbonds = 0; - - SortData(last_data); - } - else { - current_data->time = 0.0; - - for(i = 0; i < 3; i++) { - current_data->bounds[i].low = -1.0; - current_data->bounds[i].high = 1.0; - } - - current_data->natoms = 0; - current_data->positions = NULL; - current_data->maxatoms = 0; - - current_data->nbonds = 0; - current_data->bonds = NULL; - current_data->maxbonds = 0; - } - - if (olddataptr != Common.dataptr) XtFree((char *) olddataptr); -} - -PRIVATE void add_point(int index, int type, float x, float y, float z) -{ - POSITION *p; - - if (current_data->natoms >= current_data->maxatoms) { - current_data->maxatoms += 16; - current_data->positions = (POSITION *) - XtRealloc((char *) current_data->positions, - current_data->maxatoms * sizeof(POSITION)); - } - - p = &(current_data->positions[current_data->natoms]); - - p->index = index; - p->type = type; - p->x = x; - p->y = y; - p->z = z; - - current_data->natoms++; -} - - -PRIVATE void add_bond(int type, int index1, int index2) -{ - BOND *b; - - if (current_data->nbonds >= current_data->maxbonds) { - current_data->maxbonds += 16; - current_data->bonds = (BOND *) - XtRealloc((char *) current_data->bonds, - current_data->maxbonds * sizeof(BOND)); - } - - b = &(current_data->bonds[current_data->nbonds]); - - b->type = type; - b->index1 = index1; - b->index2 = index2; - b->atom1 = NULL; - b->atom2 = NULL; - - current_data->nbonds++; -} - -PRIVATE void ShowStatus(void) -{ - static char buffer[256]; - - if (ReadData.in_read) - sprintf(buffer, "Reading file: %s\n" - "Frames: %i Positions: %i Bonds: %i", - *ReadData.fnames, Common.ndata, npositions, - nbonds); - else - sprintf(buffer, "Reading done.\n" - "Frames: %i Positions: %i Bonds %i", - Common.ndata, npositions, nbonds); - - SetReadString(buffer); -} - -/* **************************************************************** */ - -PRIVATE void SortData(DATA *dptr) -{ - POSITION *p, **p_by_index, **pp; - register int i, j; - int maxindex, minindex, nindex, n; - register BOND *b, *b2; - float bond_length, shortest, dx, dy, dz; - - /* add hpsort in place of standard C qsort, which is very slow - when atoms or bonds are already in order (N^2 instead of NlnN) - calling syntax does not change except for first argument - becomes arg-1, qsort -> hpsort in 2 places - */ - void hpsort(POSITION *, int, int, int (*)(POSITION *, POSITION *)); - - if (!dptr) return; - - /* sort by type */ - - hpsort((dptr->positions)-1, dptr->natoms, sizeof(POSITION), - compare_atypes); - - /* find out how many of each type */ - - for(i = dptr->natoms, p = dptr->positions; i ;i--, p++) - dptr->natypes[p->type-1]++; - - if (dptr->nbonds < 1) return; - - /* find max, min indicies */ - - minindex = 1000000000; - maxindex = -minindex; - - for(i = dptr->natoms, p = dptr->positions; i; i--, p++) { - if (p->index > maxindex) maxindex = p->index; - if (p->index < minindex) minindex = p->index; - } - - nindex = maxindex - minindex + 1; - - if (nindex < 0) { - dptr->nbonds = 0; - return; - } - - - if (nindex < 1000000) { - - p_by_index = (POSITION **) XtMalloc(nindex*sizeof(POSITION *)); - - for(pp = p_by_index, i = nindex; i; i--, pp++) - *pp = (POSITION *) NULL; - - for(p = dptr->positions, i = dptr->natoms; i; i--, p++){ - pp = p_by_index + p->index - minindex; - if (*pp != (POSITION *) NULL) { - fprintf(stderr, - "Error: atom %i has more than one position at time %g.\n", - p->index, dptr->time); - exit(EXIT_FAILURE); - } - *pp = p; - } - - for(b = dptr->bonds, i = dptr->nbonds; i ; i--, b++) { - b->atom1 = p_by_index[b->index1 - minindex]; - b->atom2 = p_by_index[b->index2 - minindex]; - if (b->atom1 == (POSITION *) NULL) { - fprintf(stderr, - "Error: atom %d has no position at time %g.\n", - b->index1, dptr->time); - exit(EXIT_FAILURE); - } - if (b->atom2 == (POSITION *) NULL) { - fprintf(stderr, - "Error: atom %d has no position at time %g.\n", - b->index2, dptr->time); - exit(EXIT_FAILURE); - } - } - - XtFree((char *) p_by_index); - } - else { - for(b = dptr->bonds, i = dptr->nbonds; i; i--, b++) { - for(p = dptr->positions, j = dptr->natoms; j; j--, p++) - if (b->index1 == p->index) { - b->atom1 = p; - break; - } - if (j < 1) { - fprintf(stderr, - "Error: atom %i has no position at time %g.\n", - b->index1, dptr->time); - exit(EXIT_FAILURE); - } - for(p = dptr->positions, j = dptr->natoms; j; j--, p++) - if (b->index2 == p->index) { - b->atom2 = p; - break; - } - if (j < 1) { - fprintf(stderr, - "Error: atom %i has no position at time %g.\n", - b->index2, dptr->time); - exit(EXIT_FAILURE); - } - } - } - - /* throw out bonds longer than half the shortest cell size */ - /* only do if periodic-bond switch is set */ - - if (Common.pbc_bond) { - - n = (Common.two_d) ? 2 : 3; - - shortest = 1e30; - for(i = 0; i < n; i++){ - bond_length = dptr->bounds[i].high - dptr->bounds[i].low; - if (bond_length < shortest) shortest = bond_length; - } - - shortest *= 0.5; - shortest *= shortest; - - b = dptr->bonds; - b2 = b; - for(i = dptr->nbonds; i; i--, b++) { - dx = b->atom1->x - b->atom2->x; - dy = b->atom1->y - b->atom2->y; - dz = b->atom1->z - b->atom2->z; - bond_length = dx*dx + dy*dy + dz*dz; - if (bond_length < shortest) { - if (b2 != b) *b2 = *b; - b2++; - } - } - - dptr->nbonds -= b - b2; - - } - - /* sort by type */ - - hpsort((dptr->bonds)-1, dptr->nbonds, sizeof(BOND), - compare_btypes); - - /* find out how many of each type */ - - for(b = dptr->bonds, i = dptr->nbonds; i; i--, b++) - dptr->nbtypes[b->type-1]++; -} - -PRIVATE int compare_atypes(POSITION *a, POSITION *b) -{ - if (a->type > b->type) return(1); - if (a->type == b->type) return(0); - if (a->type < b->type) return(-1); -} - -PRIVATE int compare_btypes(BOND *a, BOND *b) -{ - if (a->type > b->type) return(1); - if (a->type == b->type) return(0); - if (a->type < b->type) return(-1); -} - -/* routine to print out all data for debugging */ - -#if 0 - -print_them(void) -{ - int i; - - for(i = 0; i < Common.ndata; i++) - print_data(Common.dataptr[i]); -} - -print_data(DATA *data) -{ - int i; - POSITION *p; - - fprintf(stderr,"Time: %f\n", data->time); - - for(i = 0; i < 3; i++) - fprintf(stderr,"Bounds %i: %f %f\n", i, data->bounds[i].low, - data->bounds[i].high); - - for(i = 0; i < data->natoms; i++) { - p = &(data->positions[i]); - fprintf(stderr,"Atom: %i %i %f %f %f\n", - p->index, p->type, p->x, p->y, p->z); - } -} - -#endif - -/* **************************************************************** */ - -PRIVATE int ReadSomeBinary(void) -{ - RECORD record_id; - LENGTH length; - READER *r; - char err_msg[256]; - int state; - int old_positions, old_bonds; - - old_positions = npositions; - old_bonds = nbonds; - - while(1) { - if (!ReadRecordHeader(ReadData.file, &record_id, &length)) - return(END_OF_FILE); - - r = GetReader(record_id); - if (r == (READER *) NULL) { /* dont recognize */ - fseek(ReadData.file, length, SEEK_CUR); - continue; - } - - switch(state = (*r->reader)(ReadData.file, length)) { - case BEING_NICE: - if (old_positions + old_bonds + NBREAD > - nbonds + npositions) - continue; - return(state); - case END_OF_FILE: - return(state); - case READ_OK: - continue; - case ERROR: - default: - sprintf(err_msg,"Frames: %i Positions: %i Bonds: %i\n" - "Error occurred during binary read.\n" - "Read aborted.", - Common.ndata, npositions, nbonds); - SetReadString(err_msg); - return(ERROR); - } - } -} - -PRIVATE READER *GetReader(RECORD record_id) -{ - register int i; - register READER *r; - - i = sizeof(read_table)/sizeof(read_table[0]); - for(r = read_table; i; i--, r++) - if (r->record_id == record_id) return(r); - - return((READER *) NULL); -} - -PRIVATE int ReadRecordHeader(FILE *f, RECORD *record, LENGTH *length) -{ - if (1 != fread(record, sizeof(*record), 1, f)) return(FALSE); - if (1 != fread(length, sizeof(*length), 1, f)) return(FALSE); - - return(TRUE); -} - -/*ARGSUSED*/ -PRIVATE int ReadBound(FILE *file, LENGTH length) -{ - int i, changed; - BOUND *b, *cb; - - if (!current_data) NewData(); - - - - for(b = current_data->bounds, i = 3; i; i--, b++){ - if (1 != fread(&(b->low), sizeof(b->low), 1, file)) - return(ERROR); - if (1 != fread(&(b->high), sizeof(b->high), 1, file)) - return(ERROR); - } - - changed = 0; - for(b=current_data->bounds,cb=Common.bounds,i=3; i;i--,b++,cb++){ - if (b->low < cb->low) { - cb->low = b->low; - changed = 1; - } - if (b->high > cb->high) { - cb->high = b->high; - changed = 1; - } - } - - if (changed) NewDataSetup(); - - return(READ_OK); -} - -PRIVATE int ReadPosition(FILE *file, LENGTH length) -{ - POSITION *p; - int n; - int i; - - if (!current_data) NewData(); - - n = length / (sizeof(p->index) + sizeof(p->type) + 3*sizeof(p->x)); - - if (current_data->maxatoms < n) { - free(current_data->positions); - current_data->maxatoms = n; - current_data->positions = - (POSITION *) XtMalloc(n * sizeof(POSITION)); - } - - current_data->natoms = 0; - p = current_data->positions; - i = 0; - - for(; i < n; i++, p++) { - if (1 != fread(&(p->index), sizeof(p->index), 1, file)) - return(ERROR); - if (1 != fread(&(p->type), sizeof(p->type), 1, file)) - return(ERROR); - if (1 != fread(&(p->x), sizeof(p->x), 1, file)) - return(ERROR); - if (1 != fread(&(p->y), sizeof(p->y), 1, file)) - return(ERROR); - if (1 != fread(&(p->z), sizeof(p->z), 1, file)) - return(ERROR); - - if (p->type < 1 || p->type > Common.natomcolors) - p->type = 1; - - npositions++; - current_data->natoms++; - - if ((npositions + nbonds)% NPRINT == 0) ShowStatus(); - } - - return(BEING_NICE); -} - -PRIVATE int ReadBond(FILE *file, LENGTH length) -{ - BOND *b; - int n; - int i; - - if (!current_data) NewData(); - - n = length / (sizeof(b->type) + sizeof(b->index1) + sizeof(b->index2)); - - if (current_data->maxbonds < n) { - free(current_data->bonds); - current_data->maxbonds = n; - current_data->bonds = - (BOND *) XtMalloc(n * sizeof(BOND)); - } - - current_data->nbonds = 0; - b = current_data->bonds; - i = 0; - - for(; i < n; i++, b++) { - if (1 != fread(&(b->type), sizeof(b->type), 1, file)) - return(ERROR); - if (1 != fread(&(b->index1), sizeof(b->index1), 1, file)) - return(ERROR); - if (1 != fread(&(b->index2), sizeof(b->index2), 1, file)) - return(ERROR); - - if (b->type < 1 || b->type > Common.nbondcolors) - b->type = 1; - - nbonds++; - current_data->nbonds++; - - if ((npositions + nbonds)% NPRINT == 0) ShowStatus(); - } - - return(BEING_NICE); -} - -/*ARGSUSED*/ -PRIVATE int CopyBond(FILE *file, LENGTH length) -{ - return( (copy_bonds()) ? READ_OK : ERROR ); -} - - - -/*ARGSUSED*/ -PRIVATE int ReadTime(FILE *file, LENGTH length) -{ - if (!current_data || seen_time) NewData(); - seen_time = 1; - - if (1 != fread(&(current_data->time), sizeof(current_data->time), - 1, file)) - return(ERROR); - return(READ_OK); -} diff --git a/tools/xmovie/resource.h b/tools/xmovie/resource.h deleted file mode 100644 index 418f73eb7..000000000 --- a/tools/xmovie/resource.h +++ /dev/null @@ -1,244 +0,0 @@ -/* **************************************************************** */ -/* Resource database values */ -/* Can be overridden from .Xdefaults */ - -String FallbackResources[] = { - "*.foreground: black", - "*.background: white", - - "*.horizDistance: 4", - "*.vertDistance: 4", - - "*Dialog*Translations: #override \\n\ - Return: NoOp()\\n\ - Up: NoOp()\\n\ - Down: NoOp()\\n\ - CtrlC: NoOp()\\n\ - CtrlI: NoOp()\\n\ - CtrlJ: NoOp()\\n\ - CtrlM: NoOp()\\n\ - CtrlN: NoOp()\\n\ - CtrlO: NoOp()\\n\ - CtrlP: NoOp()\\n\ - CtrlQ: NoOp()\\n\ - CtrlR: NoOp()\\n\ - CtrlS: NoOp()\\n\ - CtrlV: NoOp()\\n\ - CtrlX: NoOp()\\n\ - CtrlZ: NoOp()\\n\ - MetaV: NoOp()", - - "*.Toggle.Translations: #replace \\n\ - : highlight(Always) \\n\ - : unhighlight() \\n\ - ,: set()notify() \\n\ - ,: set()notify() \\n\ - ,: set()notify()", - - "*.quit.label: Quit", - "*.start.label: Start", - "*.stop.label: Stop", - "*.restart.label: Restart", - "*.step.label: +Step", - "*.back.label: -Step", - "*.save.label: Save", - "*.color.label: Color", - - "*.start.fromHoriz: quit", - "*.stop.fromHoriz: start", - "*.restart.fromHoriz: stop", - "*.step.fromHoriz: restart", - "*.back.fromHoriz: step", - "*.save.fromHoriz: back", - "*.color.fromHoriz: save", - - "*.quit.popup.dialog.label: Do you really want to Quit?", - "*.quit.popup.dialog.ok.label: Ok", - "*.quit.popup.dialog.cancel.label: Cancel", - "*.quit.popup.overrideRedirect: True", - - "*.save.menu.atoms.label: Animaton Off", - "*.save.menu.bonds.label: Animation On", - "*.save.menu.background.label: This Snapshot", - - "*.color.menu.atoms.label: Atoms", - "*.color.menu.bonds.label: Bonds", - "*.color.menu.background.label: Background", - "*.color.menu.filecolor.label: from File", - - "*.atomcolors.title: xmovie atom colors", - - "*.atomcolors.*.apply.label: Apply", - "*.atomcolors.*.cancel.label: Dismiss", - - "*.atomcolors.*.Form.Dialog.borderWidth: 2", - "*.atomcolors.*.Dialog.*.resizable: True", - "*.atomcolors.*.Dialog.Text.width: 200", - "*.atomcolors.*.Form.Form.Dialog.borderWidth: 0", - "*.atomcolors.*.Form.Form.borderWidth: 2", - - "*.bondcolors.title: xmovie bond colors", - - "*.bondcolors.*.apply.label: Apply", - "*.bondcolors.*.cancel.label: Dismiss", - - "*.bondcolors.*.Form.Dialog.borderWidth: 2", - "*.bondcolors.*.Dialog.*.resizable: True", - "*.bondcolors.*.Dialog.Text.width: 200", - "*.bondcolors.*.Form.Form.Dialog.borderWidth: 0", - "*.bondcolors.*.Form.Form.borderWidth: 2", - - "*.backcolors.title: xmovie background colors", - - "*.backcolors.*.apply.label: Apply", - "*.backcolors.*.cancel.label: Dismiss", - - "*.backcolors.*.bg.label: Background Color", - "*.backcolors.*.bg.value: black", - "*.backcolors.*.Dialog.Text.width: 200", - "*.backcolors.*.Dialog.*.resizable: True", - - "*.filecolors.title: xmovie colors from file", - - "*.filecolors.*.apply.label: Apply", - "*.filecolors.*.cancel.label: Dismiss", - - "*.filecolors.*.file.label: File of color settings", - "*.filecolors.*.file.value: xmovie.colors", - "*.filecolors.*.Dialog.Text.width: 200", - "*.filecolors.*.Dialog.*.resizable: True", - - "*.sceneshell.title: xmovie scene", - "*.scene.foreground: white", - "*.scene.background: black", - "*.scene.width: 400", - "*.scene.height: 400", - "*.scene.Translations: #override \\n\ - : ExposeScene()", - - "*.Scrollbar.orientation: horizontal", - "*.Scrollbar.height: 25", - "*.Scrollbar.width: 200", - "*.Scrollbar.shown: 0.06", - - "*.Label.resize: False", - - "*.time.label: Time: ?", - "*.time.width: 406", - "*.time.fromVert: quit", - - "*.speedbar.fromVert: time", - "*.speedbar.topOfThumb: 0.25", - - "*.speed.fromHoriz: speedbar", - "*.speed.fromVert: time", - "*.speed.label: Speed: ?", - "*.speed.width: 200", - "*.speed.height: 25", - "*.speed.resize: False", - - "*.positionbar.fromVert: speedbar", - "*.positionbar.topOfThumb: 0.5", - - "*.position.fromHoriz: positionbar", - "*.position.fromVert: speed", - "*.position.label: Position: ?", - "*.position.width: 200", - "*.position.height: 25", - "*.position.resize: False", - - "*.thicknessbar.fromVert: positionbar", - "*.thicknessbar.topOfThumb: 0.1", - - "*.thickness.fromHoriz: thicknessbar", - "*.thickness.fromVert: position", - "*.thickness.label: Speed: ?", - "*.thickness.width: 200", - "*.thickness.height: 25", - "*.thickness.resize: False", - - "*.Scrollbar.Translations: #override \\n\ - : StartScroll(Continuous)MoveThumb()NotifyThumb() \\n\ - : StartScroll(Continuous)MoveThumb()NotifyThumb() \\n\ - : MoveThumb()NotifyThumb() \\n\ - : MoveThumb()NotifyThumb()", - - "*.axis.label: Viewing Axis", - "*.axis.fromVert: thicknessbar", - "*.axis.width: 200", - "*.axis.height: 25", - - "*.x.fromVert: axis", - "*.x.label: X", - "*.x.width: 26", - "*.x.height: 25", - "*.x.horizDistance: 61", - - "*.y.fromVert: axis", - "*.y.fromHoriz: x", - "*.y.label: Y", - "*.y.width: 26", - "*.y.height: 25", - "*.y.radioGroup: x", - - "*.z.fromVert: axis", - "*.z.fromHoriz: y", - "*.z.label: Z", - "*.z.width: 26", - "*.z.height: 25", - "*.z.radioGroup: x", - "*.z.state: True", - - "*.viewdir.label: Viewing Direction", - "*.viewdir.fromVert: x", - "*.viewdir.width: 200", - "*.viewdir.height: 25", - - "*.vplus.fromVert: viewdir", - "*.vplus.horizDistance: 76", - "*.vplus.label: +", - "*.vplus.height: 25", - "*.vplus.width: 26", - - "*.vminus.fromVert: viewdir", - "*.vminus.fromHoriz: vplus", - "*.vminus.label: -", - "*.vminus.width: 26", - "*.vminus.height: 25", - "*.vminus.radioGroup: vplus", - "*.vminus.state: True", - - "*.motiondir.label: Movie Direction", - "*.motiondir.fromVert: vplus", - "*.motiondir.width: 200", - "*.motiondir.height: 25", - - "*.mplus.fromVert: motiondir", - "*.mplus.horizDistance: 12", - "*.mplus.label: Forward", - "*.mplus.width: 90", - "*.mplus.height: 25", - "*.mplus.state: True", - - "*.mminus.fromVert: motiondir", - "*.mminus.fromHoriz: mplus", - "*.mminus.label: Backward", - "*.mminus.width: 90", - "*.mminus.height: 25", - "*.mminus.radioGroup: mplus", - - "*.axes.fromVert: thickness", - "*.axes.fromHoriz: axis", - "*.axes.width: 200", - "*.axes.height: 177", - "*.axes.resize: False", - "*.axes.Translations: #override \\n\ - : ExposeAxes()", - - "*.read.fromVert: mplus", - "*.read.height: 100", - "*.read.width: 406", - "*.read.resize: False", - - NULL, - }; diff --git a/tools/xmovie/scene.c b/tools/xmovie/scene.c deleted file mode 100644 index e021aa580..000000000 --- a/tools/xmovie/scene.c +++ /dev/null @@ -1,673 +0,0 @@ -/* **************************************************************** */ -/* functions to deal with drawing atoms, etc. */ - -#include - -#include -#include -#include - -#include -#include - -#include - -#include "xmovie.h" - -/* hard offsets so we dont draw on exact edge of screen */ - -#define HOFFSET 5 -#define VOFFSET 5 - -typedef XArc POINT; -typedef XSegment LINE; - -/* **************************************************************** */ -/* local prototypes */ - -PRIVATE LINE *ClipAndScaleLines(BOND *b, int cnt, int *nlines); -PRIVATE POINT *ClipAndScalePoints(POSITION *p, int cnt, Dimension diam, - int *npoints); -PRIVATE void DrawPoints(Display *display, Drawable drawable, GC gc, - POINT *points, int npoints); -PRIVATE void DrawLines(Display *display, Drawable drawable, GC gc, - LINE *lines, int nlines); -PRIVATE void SceneDraw(void); -PRIVATE void SetAllColors(void); -PRIVATE void MotionUpdate(void); - -/* **************************************************************** */ -/* local data */ - -static Widget Scene; -static Widget Shell; -static Pixmap Buffer; - -static GC *gc = (GC *) NULL; -static GC *bondgc = (GC *) NULL; -static GC bggc; -static int first = 1; -static Dimension Height, Width; - -XtIntervalId TimeOut = (XtIntervalId) NULL; -static String null_string = ""; - -/* **************************************************************** */ - -Widget CreateScene(Widget parent, char *name) -{ - Shell = XtCreatePopupShell("sceneshell", transientShellWidgetClass, - parent, NULL, ZERO); - - Scene = XtVaCreateManagedWidget(name, labelWidgetClass, Shell, - XtNlabel, &null_string, NULL); - - gc = (GC *) XtMalloc(Common.natomcolors * sizeof(GC)); - bondgc = (GC *) XtMalloc(Common.nbondcolors * sizeof(GC)); - - XtPopup(Shell, XtGrabNone); - - return(Scene); -} - -PRIVATE void SceneDraw(void) -{ - DATA *dptr; - POINT *points; - LINE *lines; - POSITION *p; - BOND *b; - int i; - int npoints, nlines; - char s[40]; - static int last_step = -1; - - if (!XtIsRealized(Scene)) return; - - if (first) { - SetAllColors(); - first = 0; - } - - /* Clear everything */ - - if (Common.step >= Common.ndata) return; - if (Common.step < 0) return; - - XFillRectangle(XtDisplay(Scene), Buffer, bggc, 0, 0, - Width, Height); - - /* XClearWindow(XtDisplay(Scene), XtWindow(Scene)); */ - - /* find the data */ - - dptr = Common.dataptr + Common.step; - - /* loop over colors */ - - b = dptr->bonds; - for(i = 0; i < Common.nbondcolors; i++) { - if (Common.bonds_visible[i]) { - lines = ClipAndScaleLines(b, dptr->nbtypes[i],&nlines); - DrawLines(XtDisplay(Scene), Buffer, bondgc[i], - lines, nlines); - } - b += dptr->nbtypes[i]; - } - - p = dptr->positions; - for(i = 0; i < Common.natomcolors; i++){ - if (Common.atoms_visible[i]) { - points = ClipAndScalePoints(p, dptr->natypes[i], - Common.diameter[i], &npoints); - DrawPoints(XtDisplay(Scene), Buffer, gc[i], points, - npoints); - } - p += dptr->natypes[i]; - } - - XCopyArea(XtDisplay(Scene), Buffer, XtWindow(Scene), bggc, - 0, 0, Width, Height, 0, 0); - - XFlush(XtDisplay(Scene)); - - if (Common.step == last_step) return; - last_step = Common.step; - - sprintf(s,"Time: %g Frame: %i", dptr->time, Common.step+1); - SetTime(s); -} - -PRIVATE void MotionUpdate(void) -{ - int next_step; - - SceneUpdate(); - - if (Common.saveflag) { - char str[24]; - if (Common.step < 10) - sprintf(str,"image00%d.xpm",Common.step); - else if (Common.step < 100) - sprintf(str,"image0%d.xpm",Common.step); - else - sprintf(str,"image%d.xpm",Common.step); - XpmWriteFileFromPixmap(XtDisplay(Scene),str,Buffer,NULL,NULL); - } - - if (!Common.motion) return; - - next_step = CoerceStep(Common.step + Common.dstep); - - if (next_step == Common.step) { - RemoveMotion(); - return; - } - - Common.step = next_step; - - TimeOut = (XtIntervalId) NULL; - - InstallMotion(); -} - -void SceneUpdate(void) -{ - - if (!Common.init) return; - - /* Common.step = CoerceStep(Common.step); */ - - SceneDraw(); -} - -void SceneSave(void) -{ - char str[24]; - sprintf(str,"image.%d.xpm",Common.step); - XpmWriteFileFromPixmap(XtDisplay(Scene),str,Buffer,NULL,NULL); -} - -int CoerceStep(int step) -{ - if (step >= Common.ndata) return (Common.ndata-1); - if (step < 0) return(0); - return(step); -} - -void ExposeScene(Widget w, XEvent *event, String *strings, - Cardinal *nstrings) -{ - NewDataSetup(); - SceneDraw(); -} - - -void InstallMotion(void) -{ - Common.motion = 1; - - if (TimeOut == (XtIntervalId) NULL) - TimeOut = XtAppAddTimeOut(XtWidgetToApplicationContext(Scene), - Common.delay, - (XtTimerCallbackProc) MotionUpdate, NULL); -} - -void RemoveMotion(void) -{ - if (!Common.motion) return; - - Common.motion = 0; - Common.step = CoerceStep(Common.step - Common.dstep); - - if (TimeOut != (XtIntervalId) NULL) XtRemoveTimeOut(TimeOut); - TimeOut = (XtIntervalId) NULL; -} - -void SceneSize(Dimension *width, Dimension *height) -{ - XtVaGetValues(Scene, XtNwidth, width, XtNheight, height, NULL); -} - -PRIVATE POINT *ClipAndScalePoints(POSITION *pos, int cnt, Dimension diam, - int *npoints) -{ - register int i; - BOUND range; - register POINT *p; - Dimension width, height; - static int max_points = 0; - static POINT *points = (POINT *) NULL; - - range.low = Common.position - Common.thickness * 0.5; - range.high = Common.position + Common.thickness * 0.5; - - /* use a static buffer so minimize number of allocations */ - /* didnt use Realloc because dont want data copied */ - - *npoints = cnt; - if (*npoints > max_points) { - XtFree((char *) points); - points = (POINT *) XtMalloc( *npoints * sizeof(POINT)); - max_points = *npoints; - } - p = points; - - if (cnt < 1) return(points); - - SceneSize(&width, &height); - width -= 2*HOFFSET; - height -= 2*VOFFSET; - - /* translate x, y, z to x and y in window. */ - /* note: index and type are also passed, but may not be used */ - - switch(3*Common.direction + Common.axis){ - case 0: /* negative direction, x axis */ - for(i = cnt; i; i--, pos++) { - if (pos->x > range.high) continue; - if (pos->x < range.low) continue; - p->x = width - - (pos->z * Common.scale + Common.offset[2]); - p->y = height - - (pos->y * Common.scale + Common.offset[1]); - p->width = diam; - p->height = diam; - p++; - } - break; - case 1: /* negative direction, y axis */ - for(i = cnt; i; i--, pos++) { - if (pos->y > range.high) continue; - if (pos->y < range.low) continue; - p->x = pos->x * Common.scale + Common.offset[0]; - p->y = pos->z * Common.scale + Common.offset[2]; - p->width = diam; - p->height = diam; - p++; - } - break; - case 2: /* negative direction, z axis */ - for(i = cnt; i; i--, pos++) { - if (pos->z > range.high) continue; - if (pos->z < range.low) continue; - p->x = pos->x * Common.scale + Common.offset[0]; - p->y = height - - (pos->y * Common.scale + Common.offset[1]); - p->width = diam; - p->height = diam; - p++; - } - break; - case 3: /* positive direction, x axis */ - for(i = cnt; i; i--, pos++) { - if (pos->x > range.high) continue; - if (pos->x < range.low) continue; - p->x = pos->z * Common.scale + Common.offset[2]; - p->y = height - - (pos->y * Common.scale + Common.offset[1]); - p->width = diam; - p->height = diam; - p++; - } - break; - - case 4: /* positive direction, y axis */ - for(i = cnt; i; i--, pos++) { - if (pos->y > range.high) continue; - if (pos->y < range.low) continue; - p->x = pos->x * Common.scale + Common.offset[0]; - p->y = height - - (pos->z * Common.scale + Common.offset[2]); - p->width = diam; - p->height = diam; - p++; - } - break; - - - case 5: /* postive direction, z axis */ - for(i = cnt; i; i--, pos++) { - if (pos->z > range.high) continue; - if (pos->z < range.low) continue; - p->x = pos->x * Common.scale + Common.offset[0]; - p->y = pos->y * Common.scale + Common.offset[1]; - p->width = diam; - p->height = diam; - p++; - } - break; - } - - *npoints = p - points; - - /* add the hard offsets so we dont draw on edge of screen */ - /* center drawing based on width, height */ - - for(i = *npoints, p = points; i; i--, p++) { - p->x += HOFFSET - p->width/2; - p->y += VOFFSET - p->height/2; - } - - return(points); -} - - -PRIVATE void DrawPoints(Display *display, Drawable drawable, GC gc, - POINT *points, int npoints) -{ - register int full_circle; - register int i; - register POINT *p; - - if (npoints <= 0) return; - - /* this version has POINT typedef'd to XArc, so we need to */ - /* fill in other fields before drawing */ - - full_circle = 64*360; - - for(i = npoints, p = points; i ; i--, p++){ - p->angle1 = 0; - p->angle2 = full_circle; - } - - if (Common.hollow) { - if (Common.opaque) - XFillArcs(display, drawable, bggc, points, npoints); - XDrawArcs(display, drawable, gc, points, npoints); - } - else - XFillArcs(display, drawable, gc, points, npoints); - -} - -PRIVATE LINE *ClipAndScaleLines(BOND *bond, int cnt, int *nlines) -{ - register int i; - BOUND range; - register LINE *l; - Dimension width, height; - static int max_lines = 0; - static LINE *lines = (LINE *) NULL; - - range.low = Common.position - Common.thickness * 0.5; - range.high = Common.position + Common.thickness * 0.5; - - /* use a static buffer so minimize number of allocations */ - /* didnt use Realloc because dont want data copied */ - - *nlines = cnt; - if (*nlines > max_lines) { - XtFree((char *) lines); - lines = (LINE *) XtMalloc( *nlines * sizeof(LINE)); - max_lines = *nlines; - } - l = lines; - - if (cnt < 1) return(lines); - - SceneSize(&width, &height); - width -= 2*HOFFSET; - height -= 2*VOFFSET; - - /* translate x, y, z to x and y in window. */ - - switch(3*Common.direction + Common.axis){ - case 0: /* negative direction, x axis */ - for(i = cnt; i; i--, bond++) { - if (bond->atom1->x > range.high) continue; - if (bond->atom1->x < range.low) continue; - if (bond->atom2->x > range.high) continue; - if (bond->atom2->x < range.low) continue; - l->x1 = width - - (bond->atom1->z*Common.scale+Common.offset[2]); - l->y1 = height - - (bond->atom1->y*Common.scale+Common.offset[1]); - l->x2 = width - - (bond->atom2->z*Common.scale+Common.offset[2]); - l->y2 = height - - (bond->atom2->y*Common.scale+Common.offset[1]); - l++; - } - break; - case 1: /* negative direction, y axis */ - for(i = cnt; i; i--, bond++) { - if (bond->atom1->y > range.high) continue; - if (bond->atom1->y < range.low) continue; - if (bond->atom2->y > range.high) continue; - if (bond->atom2->y < range.low) continue; - l->x1 = bond->atom1->x*Common.scale + Common.offset[0]; - l->y1 = bond->atom1->z*Common.scale + Common.offset[2]; - l->x2 = bond->atom2->x*Common.scale + Common.offset[0]; - l->y2 = bond->atom2->z*Common.scale + Common.offset[2]; - l++; - } - break; - case 2: /* negative direction, z axis */ - for(i = cnt; i; i--, bond++) { - if (bond->atom1->z > range.high) continue; - if (bond->atom1->z < range.low) continue; - if (bond->atom2->z > range.high) continue; - if (bond->atom2->z < range.low) continue; - l->x1 = bond->atom1->x*Common.scale + Common.offset[0]; - l->y1 = height - - (bond->atom1->y*Common.scale+Common.offset[1]); - l->x2 = bond->atom2->x*Common.scale + Common.offset[0]; - l->y2 = height - - (bond->atom2->y*Common.scale+Common.offset[1]); - l++; - } - break; - case 3: /* positive direction, x axis */ - for(i = cnt; i; i--, bond++) { - if (bond->atom1->x > range.high) continue; - if (bond->atom1->x < range.low) continue; - if (bond->atom2->x > range.high) continue; - if (bond->atom2->x < range.low) continue; - l->x1 = bond->atom1->z*Common.scale + Common.offset[2]; - l->y1 = height - - (bond->atom1->y*Common.scale+Common.offset[1]); - l->x2 = bond->atom2->z*Common.scale + Common.offset[2]; - l->y2 = height - - (bond->atom2->y*Common.scale+Common.offset[1]); - l++; - } - break; - - case 4: /* positive direction, y axis */ - for(i = cnt; i; i--, bond++) { - if (bond->atom1->y > range.high) continue; - if (bond->atom1->y < range.low) continue; - if (bond->atom2->y > range.high) continue; - if (bond->atom2->y < range.low) continue; - l->x1 = bond->atom1->x*Common.scale + Common.offset[0]; - l->y1 = height - - (bond->atom1->z*Common.scale+Common.offset[2]); - l->x2 = bond->atom2->x*Common.scale + Common.offset[0]; - l->y2 = height - - (bond->atom2->z*Common.scale+Common.offset[2]); - l++; - } - break; - - - case 5: /* postive direction, z axis */ - for(i = cnt; i; i--, bond++) { - if (bond->atom1->z > range.high) continue; - if (bond->atom1->z < range.low) continue; - if (bond->atom2->z > range.high) continue; - if (bond->atom2->z < range.low) continue; - l->x1 = bond->atom1->x*Common.scale + Common.offset[0]; - l->y1 = bond->atom1->y*Common.scale + Common.offset[1]; - l->x2 = bond->atom2->x*Common.scale + Common.offset[0]; - l->y2 = bond->atom2->y*Common.scale + Common.offset[1]; - l++; - } - break; - } - - *nlines = l - lines; - - /* add the hard offsets so we dont draw on edge of screen */ - - for(i = *nlines, l = lines; i; i--, l++) { - l->x1 += HOFFSET; - l->y1 += VOFFSET; - l->x2 += HOFFSET; - l->y2 += VOFFSET; - } - - return(lines); -} - - -PRIVATE void DrawLines(Display *display, Drawable drawable, GC gc, - LINE *lines, int nlines) -{ - if (nlines <= 0) return; - - XDrawSegments(display, drawable, gc, lines, nlines); -} - -void Setup(void) -{ - NewDataSetup(); - SpeedUpdate(); - UpdateRadios(); -} - -void NewDataSetup(void) -{ - static int have_pixmap = 0; - - BOUND *cb; - int i; - float longest, f; - Dimension width, height; - - SceneSize(&Width, &Height); - - if (have_pixmap) XFreePixmap(XtDisplay(Scene), Buffer); - - Buffer = XCreatePixmap(XtDisplay(Scene), - RootWindowOfScreen(XtScreen(Scene)), Width, Height, - DefaultDepthOfScreen(XtScreen(Scene))); - - have_pixmap = 1; - - /* determine global scaling and offset factors */ - /* offset + scale * coordinate = pixel */ - - longest = 0.0; - for(i = 3, cb = Common.bounds; i ; i--, cb++) - if ((f = (cb->high) - (cb->low)) > longest) longest = f; - - SceneSize(&Width, &Height); - width = Width; - height = Height; - - width -= HOFFSET*2; - height -= VOFFSET*2; - - Common.scale = (width < height) ? width/longest : height/longest; - - for(i = 0; i < 3; i++) - Common.offset[i] = - Common.bounds[i].low * Common.scale; - - PositionUpdate(); - ThicknessUpdate(); -} - -/* **************************************************************** */ - -void SetAtomColors(Pixel *fg) -{ - int i; - XGCValues xgc; - - XtVaGetValues(Scene, XtNbackground, &xgc.background, NULL); - - xgc.function = GXcopy; - - for(i = 0; i < Common.natomcolors; i++) { - if (gc[i]) XFreeGC(XtDisplay(Scene), gc[i]); - xgc.foreground = fg[i]; - gc[i] = XCreateGC(XtDisplay(Scene), XtWindow(Scene), - GCFunction | GCBackground | GCForeground, &xgc); - } - - if (bggc) XFreeGC(XtDisplay(Scene), bggc); - xgc.foreground = xgc.background; - bggc = XCreateGC(XtDisplay(Scene), XtWindow(Scene), - GCFunction | GCBackground | GCForeground, &xgc); - -} - -void SetBGColor(Pixel bg) -{ - XGCValues xgc; - - XtVaSetValues(Scene, XtNbackground, bg, NULL); - - if (bggc) XFreeGC(XtDisplay(Scene), bggc); - - xgc.function = GXcopy; - xgc.foreground = xgc.background = bg; - - bggc = XCreateGC(XtDisplay(Scene), XtWindow(Scene), - GCFunction | GCBackground | GCForeground, &xgc); - -} - -/* **************************************************************** */ - -void SetBondColors(Pixel *fg, Dimension *thick) -{ - int i; - XGCValues xgc; - - XtVaGetValues(Scene, XtNbackground, &xgc.background, NULL); - - xgc.function = GXcopy; - - for(i = 0; i < Common.nbondcolors; i++) { - if (bondgc[i]) XFreeGC(XtDisplay(Scene), bondgc[i]); - xgc.foreground = fg[i]; - xgc.line_width = thick[i]; - bondgc[i] = XCreateGC(XtDisplay(Scene), XtWindow(Scene), - GCFunction | GCBackground | GCForeground | GCLineWidth, - &xgc); - } -} - -/* **************************************************************** */ - -PRIVATE void SetAllColors(void) -{ - int i; - XGCValues xgc; - - xgc.function = GXcopy; - xgc.line_width = 1; - - XtVaGetValues(Scene, - XtNbackground, &xgc.background, - XtNforeground, &xgc.foreground, - NULL); - - for(i = 0; i < Common.natomcolors; i++) - gc[i] = XCreateGC(XtDisplay(Scene), XtWindow(Scene), - GCFunction | GCBackground | GCForeground, &xgc); - - for(i = 0; i < Common.nbondcolors; i++) - bondgc[i] = XCreateGC(XtDisplay(Scene), XtWindow(Scene), - GCFunction | GCBackground | GCForeground | GCLineWidth, - &xgc); - - xgc.foreground = xgc.background; - bggc = XCreateGC(XtDisplay(Scene), XtWindow(Scene), - GCFunction | GCBackground | GCForeground, &xgc); - -} - diff --git a/tools/xmovie/toascii.c b/tools/xmovie/toascii.c deleted file mode 100644 index 94dc4a121..000000000 --- a/tools/xmovie/toascii.c +++ /dev/null @@ -1,425 +0,0 @@ -/* **************************************************************** */ -/* toascii.c - binary to ascii xmovie format converter */ -/* */ -/* Mike Uttormark - 8/11/92 */ -/* Sandia Nat'l Labs 1421 */ -/* On leave from University of Wisconsin--Madison */ -/* **************************************************************** */ -/* format of binary file: */ -/* */ -/* magic number - 4-byte integer */ -/* version - 4-byte integer */ -/* */ -/* */ -/* generic record format: */ -/* record id - 4-byte integer */ -/* length (bytes) - 4-byte integer */ -/* data */ -/* **************************************************************** */ - -#define MagicNumber 12344321 -#define Version 1001 - -#define TimeID 100 -#define BoundID 101 -#define PositionID 102 -#define BondID 103 -#define CopyBondID 104 -#define CopyAtomID 105 - -#define LINELEN 256 - -#include -#include -#include - -#ifdef MISSINGDEFS -#include -int fprintf(FILE *, char *, ...); -int fread(void *, size_t, size_t, FILE *); -int fseek(FILE *, long int, int); -#endif - -#ifndef EXIT_SUCCESS -#define EXIT_SUCCESS 0 -#endif -#ifndef EXIT_FAILURE -#define EXIT_FAILURE 1 -#endif - -#undef TRUE -#undef FALSE -#define TRUE 1 -#define FALSE 0 - -/* **************************************************************** */ -/* local typedefs */ - -typedef long INT4; -typedef float REAL4; -typedef void (*PFV)(); - -typedef struct { - INT4 index; - INT4 type; - REAL4 coord[3]; - } POSITION; - -typedef struct { - INT4 type; - INT4 index1; - INT4 index2; - } BOND; - -typedef struct { - REAL4 low[3]; - REAL4 high[3]; - } BOUND; - -typedef struct { - REAL4 time; - } TIME; - -typedef INT4 RECORD; -typedef INT4 LENGTH; -typedef INT4 MAGIC; -typedef INT4 VERSION; - -typedef struct { - RECORD record_id; - PFV writer; - } WRITER; - -typedef struct { - RECORD record_id; - PFV reader; - } READER; - -/* **************************************************************** */ -/* function proto-types */ - -int main(int argc, char **argv); -int GetRecord(FILE *file); -void PutRecord(FILE *file); - -void PutTime(FILE *f); -void PutBound(FILE *f); -void PutPosition(FILE *f); -void PutBond(FILE *f); -void PutCopyBond(FILE *f); -void PutCopyAtom(FILE *f); - -WRITER *GetWriter(RECORD record); - -void PrintError(char *s); -void *Realloc(void *ptr, size_t amt); - -READER *GetReader(RECORD record); - -void ReadHeader(FILE *f); -int ReadRecordHeader(FILE *f); -void ReadTime(FILE *f); -void ReadBound(FILE *f); -void ReadPosition(FILE *f); -void ReadBond(FILE *f); -void ReadDummy(FILE *f); - -/* **************************************************************** */ -/* local data */ - -static MAGIC magic = MagicNumber; -static VERSION version = Version; -static RECORD record; -static LENGTH length; -static POSITION *positions = (POSITION *) NULL; -static INT4 npositions = 0; -static INT4 maxpositions = 0; -static BOUND bounds; -static TIME time; -static BOND *bonds = (BOND *) NULL; -static INT4 nbonds = 0; -static INT4 maxbonds = 0; - -static WRITER write_table[] = { - { TimeID, PutTime }, - { BoundID, PutBound }, - { PositionID, PutPosition }, - { BondID, PutBond }, - { CopyBondID, PutCopyBond }, - { CopyAtomID, PutCopyAtom }, - }; - -static READER read_table[] = { - { TimeID, ReadTime }, - { BoundID, ReadBound }, - { PositionID, ReadPosition }, - { BondID, ReadBond }, - { CopyBondID, ReadDummy }, - { CopyAtomID, ReadDummy }, - }; - -/* **************************************************************** */ - -/* ARGSUSED */ -int main(int argc, char **argv) -{ - ReadHeader(stdin); - - while(GetRecord(stdin)) - PutRecord(stdout); - - exit(EXIT_SUCCESS); -} - -/* **************************************************************** */ - -int GetRecord(FILE *f) -{ - register READER *r; - - while(1) { - if (!ReadRecordHeader(f)) return(FALSE); - r = GetReader(record); - if (r == (READER *) NULL) { /* dont recognize */ - fseek(f, length, SEEK_CUR); /* skip */ - continue; - } - (*r->reader)(f); - break; - } - return(TRUE); -} - -/* **************************************************************** */ - -READER *GetReader(RECORD record) -{ - register READER *r; - register int i; - - i = sizeof(read_table)/sizeof(read_table[0]); - for(r = read_table; i ; i--, r++) - if (r->record_id == record) return(r); - - return((READER *) NULL); -} - -/* **************************************************************** */ - -void PutTime(FILE *f) -{ - fprintf(f, "ITEM: TIME\n" - "%g\n", time.time); - -} - -/* **************************************************************** */ - -void PutBound(FILE *f) -{ - register int i; - - fprintf(f, "ITEM: BOUNDS\n"); - - for(i = 0; i < 3; i++) - fprintf(f, "%g %g\n", bounds.low[i], bounds.high[i]); -} - -/* **************************************************************** */ - -void PutPosition(FILE *f) -{ - register POSITION *p; - register int i; - - fprintf(f,"ITEM: POSITIONS %i\n", npositions); - - for(p = positions, i = npositions; i; i--, p++) - fprintf(f, "%i %i %g %g %g\n",p->index, p->type, - p->coord[0], p->coord[1], p->coord[2]); -} - -/* **************************************************************** */ - -void PutBond(FILE *f) -{ - register BOND *b; - register int i; - - fprintf(f,"ITEM: BONDS %i\n", nbonds); - - for(b = bonds, i = nbonds; i; i--, b++) - fprintf(f, "%i %i %i\n", b->type, b->index1, b->index2); -} - -/* **************************************************************** */ - -void PutCopyBond(FILE *f) -{ - fprintf(f, "ITEM: COPYBONDS\n"); -} - -/* **************************************************************** */ - -void PutCopyAtom(FILE *f) -{ - fprintf(f, "ITEM: COPYATOMS\n"); -} - -/* **************************************************************** */ - -void PrintError(char *s) -{ - fprintf(stderr,"%s", s); - exit(EXIT_FAILURE); -} - -/* **************************************************************** */ - -void *Realloc(void *ptr, size_t amt) -{ - ptr = (ptr == NULL) ? malloc(amt) : realloc(ptr, amt); - - if (ptr != NULL) return(ptr); - - PrintError("Error: unable to allocate space.\n"); -} - -/* **************************************************************** */ - -void PutRecord(FILE *f) -{ - register WRITER *w; - - w = GetWriter(record); - if (w == (WRITER *) NULL) - PrintError("Internal error: no writer.\n"); - - (*w->writer)(f); -} - -/* **************************************************************** */ - -WRITER *GetWriter(RECORD r) -{ - register int i; - register WRITER *w; - - i = sizeof(write_table)/sizeof(write_table[0]); - for(w = write_table; i; i--, w++) - if (w->record_id == r) return(w); - - return((WRITER *) NULL); -} - -/* **************************************************************** */ - - -void ReadHeader(FILE *f) -{ - if (1 > fread(&magic, sizeof(magic), 1, f)) goto error; - if (1 > fread(&version, sizeof(version), 1, f)) goto error; - - if (magic == MagicNumber) return; - - error: - - PrintError( "Error: magic number not found.\n" - "File is probably not binary.\n"); -} - -/* **************************************************************** */ - -void ReadTime(FILE *f) -{ - if (1 == fread(&time.time, length, 1, f)) return; - - PrintError("Error: unable to read time.\n"); -} - -/* **************************************************************** */ - -void ReadBound(FILE *f) -{ - register int i; - - for(i = 0; i < 3; i++) { - if (1 > fread(&bounds.low[i], sizeof(bounds.low[0]), 1, f)) - goto error; - if (1 > fread(&bounds.high[i], sizeof(bounds.high[0]), 1, f)) - goto error; - } - return; - - error: - PrintError("Error: unable to read bounds.\n"); -} - -/* **************************************************************** */ - -void ReadPosition(FILE *f) -{ - register int i; - register POSITION *p; - - npositions = length / - (sizeof(p->index) + sizeof(p->type) + 3*sizeof(p->coord[0])); - - if (npositions > maxpositions) { - maxpositions = npositions + 16; - positions = (POSITION *) - Realloc(positions, maxpositions * sizeof(*positions)); - } - - for(i = npositions, p = positions; i; i--, p++) { - if (1 > fread(&p->index, sizeof(p->index), 1, f)) goto error; - if (1 > fread(&p->type, sizeof(p->type), 1, f)) goto error; - if (1 > fread(&p->coord[0], sizeof(p->coord[0]), 1, f)) goto error; - if (1 > fread(&p->coord[1], sizeof(p->coord[0]), 1, f)) goto error; - if (1 > fread(&p->coord[2], sizeof(p->coord[0]), 1, f)) goto error; - } - return; - - error: - PrintError("Error: unable to get atom positions.\n"); -} - -/* **************************************************************** */ - -void ReadBond(FILE *f) -{ - register int i; - register BOND *b; - - nbonds = length / - (sizeof(b->type) + sizeof(b->index1) + sizeof(b->index2)); - - if (nbonds > maxbonds) { - maxbonds = nbonds + 16; - bonds = (BOND *) - Realloc(bonds, maxbonds * sizeof(*bonds)); - } - - for(i = nbonds, b = bonds; i; i--, b++) { - if (1 > fread(&b->type, sizeof(b->type), 1, f)) goto error; - if (1 > fread(&b->index1, sizeof(b->index1), 1, f)) goto error; - if (1 > fread(&b->index2, sizeof(b->index2), 1, f)) goto error; - } - return; - - error: - PrintError("Error: unable to get bonds.\n"); -} - -/* **************************************************************** */ - -int ReadRecordHeader(FILE *f) -{ - if (1 > fread(&record, sizeof(record), 1, f)) return(FALSE); - if (1 > fread(&length, sizeof(length), 1, f)) return(FALSE); -} - -/* **************************************************************** */ - -void ReadDummy(FILE *f) -{} diff --git a/tools/xmovie/tobinary.c b/tools/xmovie/tobinary.c deleted file mode 100644 index 728dd7c10..000000000 --- a/tools/xmovie/tobinary.c +++ /dev/null @@ -1,525 +0,0 @@ -/* **************************************************************** */ -/* tobinary.c - binary xmovie format converter */ -/* */ -/* Mike Uttormark - 8/11/92 */ -/* Sandia Nat'l Labs 1421 */ -/* On leave from University of Wisconsin--Madison */ -/* **************************************************************** */ -/* format of binary file: */ -/* */ -/* magic number - 4-byte integer */ -/* version - 4-byte integer */ -/* */ -/* */ -/* generic record format: */ -/* record id - 4-byte integer */ -/* length (bytes) - 4-byte integer */ -/* data */ -/* **************************************************************** */ - -#define MagicNumber 12344321 -#define Version 1001 - -#define TimeID 100 -#define BoundID 101 -#define PositionID 102 -#define BondID 103 -#define CopyBondID 104 -#define CopyAtomID 105 - -#define LINELEN 256 - -#include -#include -#include - -#ifdef MISSINGDEFS -long strtol(char *s, char **t, int base); -double strtod(char *s, char **t); -int fprintf(FILE *, char *, ...); -int fwrite(void *, size_t, size_t, FILE *); -#endif - -#ifndef EXIT_SUCCESS -#define EXIT_SUCCESS 0 -#endif -#ifndef EXIT_FAILURE -#define EXIT_FAILURE 1 -#endif - -#undef TRUE -#undef FALSE -#define TRUE 1 -#define FALSE 0 - -#define WHITESPACE " \t\n\v\r" -#define SEPARATORS WHITESPACE ",;" - -/* **************************************************************** */ -/* local typedefs */ - -typedef long INT4; -typedef float REAL4; -typedef void (*PFV)(); - -typedef struct { - INT4 index; - INT4 type; - REAL4 coord[3]; - } POSITION; - -typedef struct { - INT4 type; - INT4 index1; - INT4 index2; - } BOND; - -typedef struct { - REAL4 low[3]; - REAL4 high[3]; - } BOUND; - -typedef struct { - REAL4 time; - } TIME; - -typedef INT4 RECORD; -typedef INT4 LENGTH; -typedef INT4 MAGIC; -typedef INT4 VERSION; - -typedef struct { - char *item; - RECORD record_id; - PFV reader; - } PARSER; - -typedef struct { - RECORD record_id; - PFV writer; - } WRITER; - -/* **************************************************************** */ -/* function proto-types */ - -int main(int argc, char **argv); -int GetRecord(FILE *file); -void PutRecord(FILE *file); - -void ReadTime(FILE *f); -void ReadBound(FILE *f); -void ReadPosition(FILE *f); -void ReadBond(FILE *); -void ReadDummy(FILE *F); - -int GetLine(char *s, FILE *f); -void UnGetLine(char *s); -int LineIsBlank(char *s); -int IsItem(char *s, char **t); -PARSER *GetParser(char *s); - -int GetInt4(char *s, char **t, INT4 *i); -int GetReal4(char *s, char **t, REAL4 *r); - -void PrintError(char *s); -void *Realloc(void *ptr, size_t amt); - -WRITER *GetWriter(RECORD record); - -void WriteHeader(FILE *f); -void WriteRecordHeader(FILE *f); -void WriteTime(FILE *f); -void WriteBound(FILE *f); -void WritePosition(FILE *f); -void WriteBond(FILE *f); -void WriteDummy(FILE *f); - -/* **************************************************************** */ -/* local data */ - -static MAGIC magic = MagicNumber; -static VERSION version = Version; -static RECORD record; -static LENGTH length; -static POSITION *positions = (POSITION *) NULL; -static INT4 npositions = 0; -static INT4 maxpositions = 0; -static BOUND bounds; -static TIME time; -static BOND *bonds = (BOND *) NULL; -static INT4 nbonds = 0; -static INT4 maxbonds = 0; - -static PARSER parse_table[] = { - { "TIME", TimeID, ReadTime }, - { "BOUNDS", BoundID, ReadBound }, - { "POSITIONS", PositionID, ReadPosition }, - { "BONDS", BondID, ReadBond }, - { "COPYBONDS", CopyBondID, ReadDummy }, - { "COPYATOMS", CopyAtomID, ReadDummy }, - }; - -static WRITER write_table[] = { - { TimeID, WriteTime }, - { BoundID, WriteBound }, - { PositionID, WritePosition }, - { BondID, WriteBond }, - { CopyBondID, WriteDummy }, - { CopyAtomID, WriteDummy }, - }; - -/* **************************************************************** */ - -/* ARGSUSED */ -int main(int argc, char **argv) -{ - WriteHeader(stdout); - - while(GetRecord(stdin)) - PutRecord(stdout); - - exit(EXIT_SUCCESS); -} - -/* **************************************************************** */ - -int GetRecord(FILE *f) -{ - char line[LINELEN]; - char *t; - PARSER *p; - - while(1) { - if (!GetLine(line, f)) return(FALSE); - if (!IsItem(line, &t)) continue; - p = GetParser(t); - if (p == (PARSER *) NULL) continue; - record = p->record_id; - (*p->reader)(f); - break; - } - return(TRUE); -} - -/* **************************************************************** */ - -static int have_line = 0; -static char hold_line[LINELEN]; - -int GetLine(char *s, FILE *f) -{ - int result; - - if (have_line) { - have_line = FALSE; - strcpy(s, hold_line); - return(TRUE); - } - - do { - result = (NULL != fgets(s, LINELEN, f)); - } - while ( result && LineIsBlank(s) ); - - return(result); -} - -void UnGetLine(char *s) -{ - have_line = TRUE; - strcpy(hold_line, s); -} - -int LineIsBlank(char *s) -{ - register char *t; - - t = s + strspn(s, WHITESPACE); - return(*t == '\0'); -} - -/* **************************************************************** */ - -int IsItem(char *s, char **t) -{ - register char *item; - - item = strtok(s, WHITESPACE ); - if (strcmp(item, "ITEM:")) return(FALSE); - - *t = strtok(NULL, WHITESPACE); - return(TRUE); -} - -/* **************************************************************** */ - -PARSER *GetParser(char *s) -{ - register PARSER *p; - register int i; - - i = sizeof(parse_table)/sizeof(parse_table[0]); - for(p = parse_table; i ; i--, p++) - if (!strcmp(p->item, s)) return(p); - - return((PARSER *) NULL); -} - -/* **************************************************************** */ - -void ReadTime(FILE *f) -{ - char line[80]; - char *t; - - if (!GetLine(line, f)) - PrintError("Error: unable to get line for time.\n"); - - if (!GetReal4(line, &t, &time.time)) - PrintError("Error: unable to convert time.\n"); - -} - -/* **************************************************************** */ - -void ReadBound(FILE *f) -{ - char line[80]; - char *t; - register int i; - - for(i = 0; i < 3; i++) { - if (!GetLine(line, f)) - PrintError("Error: unable to get line for bounds.\n"); - if (!GetReal4(line, &t, &bounds.low[i])) - PrintError("Error: unable to get low bound.\n"); - if (!GetReal4(t, &t, &bounds.high[i])) - PrintError("Error: unable to get high bound.\n"); - } -} - -/* **************************************************************** */ - -void ReadPosition(FILE *f) -{ - char line[LINELEN]; - char *t; - POSITION p; - register int i; - - npositions = 0; - - while(1) { - if (!GetLine(line, f)) return; - if (!GetInt4(line, &t, &p.index)) { - UnGetLine(line); - return; - } - if (!GetInt4(t, &t, &p.type)) - PrintError("Error: unable to get atoms type.\n"); - for(i = 0; i < 3; i++) - if (!GetReal4(t, &t, &p.coord[i])) - PrintError("Error: unable to atom position.\n"); - - if (npositions >= maxpositions) { - maxpositions += 128; - positions = (POSITION *) Realloc(positions, - maxpositions * sizeof(*positions)); - } - positions[npositions++] = p; - } -} - -/* **************************************************************** */ - -void ReadBond(FILE *f) -{ - char line[LINELEN]; - char *t; - BOND b; - - nbonds = 0; - - while(1) { - if (!GetLine(line, f)) return; - if (!GetInt4(line, &t, &b.type)) { - UnGetLine(line); - return; - } - if (!GetInt4(t, &t, &b.index1)) - PrintError("Error: unable to get bond index 1.\n"); - - if (!GetInt4(t, &t, &b.index2)) - PrintError("Error: unable to get bond index 2.\n"); - - if (nbonds >= maxbonds) { - maxbonds += 128; - bonds = (BOND *) Realloc(bonds, - maxbonds * sizeof(*bonds)); - } - bonds[nbonds++] = b; - } -} -/* **************************************************************** */ - -void ReadDummy(FILE *f) -{} - -/* **************************************************************** */ - -int GetInt4(char *s, char **t, INT4 *i) -{ - s += strspn(s, SEPARATORS); - - *i = strtol(s, t, 10); - - return(*t > s); -} - -int GetReal4(char *s, char **t, REAL4 *r) -{ - s += strspn(s, SEPARATORS); - - *r = strtod(s, t); - - return(*t > s); -} - -/* **************************************************************** */ - -void PrintError(char *s) -{ - fprintf(stderr,"%s", s); - exit(EXIT_FAILURE); -} - -/* **************************************************************** */ - -void *Realloc(void *ptr, size_t amt) -{ - ptr = (ptr == NULL) ? malloc(amt) : realloc(ptr, amt); - - if (ptr != NULL) return(ptr); - - PrintError("Error: unable to allocate space.\n"); -} - -/* **************************************************************** */ - -void PutRecord(FILE *f) -{ - WRITER *w; - - w = GetWriter(record); - if (w == (WRITER *) NULL) - PrintError("Internal error: no writer.\n"); - - (*w->writer)(f); -} - -/* **************************************************************** */ - -WRITER *GetWriter(RECORD r) -{ - register int i; - register WRITER *w; - - i = sizeof(write_table)/sizeof(write_table[0]); - for(w = write_table; i; i--, w++) - if (w->record_id == r) return(w); - - return((WRITER *) NULL); -} - -/* **************************************************************** */ - - -void WriteHeader(FILE *f) -{ - fwrite(&magic, sizeof(magic), 1, f); - fwrite(&version, sizeof(version), 1, f); -} - -/* **************************************************************** */ - -void WriteTime(FILE *f) -{ - length = sizeof(time.time); - - WriteRecordHeader(f); - - fwrite(&time.time, length, 1, f); -} - -/* **************************************************************** */ - -void WriteBound(FILE *f) -{ - register int i; - - length = 3 * (sizeof(bounds.low[0]) + sizeof(bounds.high[0])); - - WriteRecordHeader(f); - - for(i = 0; i < 3; i++) { - fwrite(&bounds.low[i], sizeof(bounds.low[0]), 1, f); - fwrite(&bounds.high[i], sizeof(bounds.high[0]), 1, f); - } -} - -/* **************************************************************** */ - -void WritePosition(FILE *f) -{ - register int i; - register POSITION *p; - - length = npositions * - (sizeof(p->index) + sizeof(p->type) + 3*sizeof(p->coord[0])); - - WriteRecordHeader(f); - - for(i = npositions, p = positions; i; i--, p++) { - fwrite(&p->index, sizeof(p->index), 1, f); - fwrite(&p->type, sizeof(p->type), 1, f); - fwrite(&p->coord[0], sizeof(p->coord[0]), 1, f); - fwrite(&p->coord[1], sizeof(p->coord[0]), 1, f); - fwrite(&p->coord[2], sizeof(p->coord[0]), 1, f); - } -} - -/* **************************************************************** */ - -void WriteBond(FILE *f) -{ - register int i; - register BOND *b; - - length = nbonds * - (sizeof(b->type) + sizeof(b->index1) + sizeof(b->index2)); - - WriteRecordHeader(f); - - for(i = nbonds, b = bonds; i; i--, b++) { - fwrite(&b->type, sizeof(b->type), 1, f); - fwrite(&b->index1, sizeof(b->index1), 1, f); - fwrite(&b->index2, sizeof(b->index2), 1, f); - } -} - -/* **************************************************************** */ - -void WriteDummy(FILE *f) -{ - length = 0; - - WriteRecordHeader(f); -} - -/* **************************************************************** */ - -void WriteRecordHeader(FILE *f) -{ - fwrite(&record, sizeof(record), 1, f); - fwrite(&length, sizeof(length), 1, f); -} diff --git a/tools/xmovie/version.c b/tools/xmovie/version.c deleted file mode 100644 index 364fa4ab0..000000000 --- a/tools/xmovie/version.c +++ /dev/null @@ -1,15 +0,0 @@ -#include -#include - -#include -#include - -#include "xmovie.h" - -void Version(void) -{ - fprintf(stderr,"%s %s, compiled %s %s\n" - "Copyright 1992 Michael Uttormark, All rights reserved.\n", - Progname, VERSION, __DATE__, __TIME__); - exit(EXIT_SUCCESS); -} diff --git a/tools/xmovie/xmovie.c b/tools/xmovie/xmovie.c deleted file mode 100644 index b6a7c893c..000000000 --- a/tools/xmovie/xmovie.c +++ /dev/null @@ -1,282 +0,0 @@ -/* **************************************************************** - * xmovie - a simple X based movie program - * - * Mike Uttormark - 7/13/92 - * Sandia Nat'l Labs 1421 - * On leave from University of Wisconsin--Madison -*/ - -#include -#include - -#include - -#include -#include -#include - -#include "xmovie.h" -#include "resource.h" - -extern FILE *popen(const char *, const char *); -extern int pclose(FILE *); - -/* **************************************************************** */ -/* local function prototypes */ - -int main(int argc, char **argv); -PRIVATE void CheckResources(void); - -/* **************************************************************** */ -/* common data */ - -CommonData Common = { - NULL, /* atoms visible */ - NULL, /* bonds visible */ - FALSE, /* hollow */ - FALSE, /* opaque */ - FALSE, /* 2d mode */ - FALSE, /* periodic boundary conditions on bond drawing */ - FALSE, /* remap atoms into box bounds if necessary */ - FALSE, /* scale atoms to fill box bounds */ - FALSE, /* bond copying */ - FALSE, /* version */ - 4, /* number of atom types */ - 4, /* number of bond types */ - NULL, /* atom diameters */ - 0, /* init */ - 0, /* motion off */ - 0, /* saveflag off */ - 250L, /* delay interval (ms) */ - 0, /* next drawing position */ - 0, /* step number */ - 1, /* dstep */ - 2, /* z axis */ - 0, /* view direction */ - { { 1e20, 1e-20 }, { 1e20, 1e-20 }, { 1e20, 1e-20 } }, /* bounds */ - 0, /* ndata */ - 0, /* maxdata */ - NULL, - }; - -Widget TopLevel; -char *Progname; - - -/* **************************************************************** */ -/* local data */ - -static XrmOptionDescRec options[] = { - { "-2D", "*twoDimensions", XrmoptionNoArg, "True" }, - { "-2d", "*twoDimensions", XrmoptionNoArg, "True" }, - { "-pbc", "*pbcBond", XrmoptionNoArg, "True" }, - { "-remap", "*remap", XrmoptionNoArg, "True" }, - { "-scale", "*scale", XrmoptionNoArg, "True" }, - { "-copy", "*copyBond", XrmoptionNoArg, "True" }, - { "-hollow", "*hollow", XrmoptionNoArg, "True" }, - { "-opaque", "*opaque", XrmoptionNoArg, "True" }, - { "-V", "*version", XrmoptionNoArg, "True" }, - { "-atomcolors","*atomColors", XrmoptionSepArg, NULL }, - { "-bondcolors","*bondColors", XrmoptionSepArg, NULL }, - }; - -#define Offset(x,y) (((char *) &(x.y)) - ((char *) &(x))) - -static XtResource resources[] = { - { "hollow", "Hollow", - XtRBool, sizeof(Bool), - Offset(Common, hollow), - XtRImmediate, (XtPointer) FALSE }, - - { "opaque", "Opaque", - XtRBool, sizeof(Bool), - Offset(Common, opaque), - XtRImmediate, (XtPointer) FALSE }, - - { "twoDimensions", "TwoDimensions", - XtRBool, sizeof(Bool), - Offset(Common, two_d), - XtRImmediate, (XtPointer) FALSE }, - - { "pbcBond", "PbcBond", - XtRBool, sizeof(Bool), - Offset(Common, pbc_bond), - XtRImmediate, (XtPointer) FALSE }, - - { "remap", "Remap", - XtRBool, sizeof(Bool), - Offset(Common, remap), - XtRImmediate, (XtPointer) FALSE }, - - { "scale", "Scale", - XtRBool, sizeof(Bool), - Offset(Common, scaleflag), - XtRImmediate, (XtPointer) FALSE }, - - { "copyBond", "CopyBond", - XtRBool, sizeof(Bool), - Offset(Common, copy_bond), - XtRImmediate, (XtPointer) FALSE }, - - { "version", "Version", - XtRBool, sizeof(Bool), - Offset(Common, version), - XtRImmediate, (XtPointer) FALSE }, - - { "atomColors", "AtomColors", - XtRInt, sizeof(int), - Offset(Common,natomcolors), - XtRImmediate, (XtPointer) NCOLORS }, - - { "bondColors", "BondColors", - XtRInt, sizeof(int), - Offset(Common,nbondcolors), - XtRImmediate, (XtPointer) NCOLORS }, - - }; - -static XtActionsRec actions[] = { - { "ExposeScene", ExposeScene }, - { "ExposeAxes", ExposeAxes }, - }; - -int main(int argc, char **argv) -{ - XtAppContext AppContext; /* the whole process variable */ - - /* Get X stuff going */ - - Progname = argv[0]; - - TopLevel = XtAppInitialize(&AppContext, "XMovie", options, - XtNumber(options), &argc, argv, - FallbackResources, NULL, ZERO); - - XtVaGetApplicationResources(TopLevel, (XtPointer) &Common, - resources, XtNumber(resources), NULL); - - CheckResources(); - - XtAppAddActions(AppContext, actions, XtNumber(actions)); - - /* initialize the reading stuff */ - - InitRead(argc-1, argv+1); - - /* Create the scene box */ - - (void) CreateScene(TopLevel,"scene"); - - /* Create the Control panel */ - - (void) CreateControl(TopLevel,"control"); - - XtRealizeWidget(TopLevel); - - /* put reading into background */ - - XtAppAddWorkProc(AppContext, ReadProc, (XtPointer) NULL); - - Setup(); - Common.init = 1; - - /* Enter Event Loop */ - - XtAppMainLoop(AppContext); -} - -int Usage(void) -{ - static char *msg[] = { - "xmovie - a simple & fast atom/molecule visualizer", - " written by Mike Uttormark while at Sandia, 1992", - " updated by Steve Plimpton, Sandia National Labs", - " contact info: sjplimp@sandia.gov", - "", - "Usage: xmovie [-Xoptions] [-options] file1 [file2 ...]", - " xmovie [-Xoptions] [-options] < file", - "", - "where -Xoptions are any standard XToolkit options", - "-options are any of", - " -2d reads two dimensional data files", - " -hollow draws hollow atoms", - " -opaque draws opaque hollow atoms (implies -hollow)", - " -V prints version number and exits", - " -pbc does not draw bonds > 1/2 box size", - " -remap remap atoms back into bounding box if necessary", - " -scale scale atom positions to fill bounding box", - " -copy copies bonds from one timestep to next", - " -atomcolors n sets number of colors for atoms", - " -bondcolors n sets number of colors for bonds", - "", - "and 'files' are data files in the format", - "", - " ITEM: TIMESTEP", - " time", - " ITEM: BOX BOUNDS", - " xlow xhigh", - " ylow yhigh", - " zlow zhigh", - " ITEM: BONDS", - " type1 atom1a atom1b", - " type2 atom2a atom2b", - " etc.", - " ITEM: ATOMS", - " index1 type1 x1 y1 z1", - " index2 type2 x2 y2 z2", - " etc.", - "", - "Notes:", - " A TIMESTEP item starts a new frame", - " A new item (or EOF) ends the list of ATOMS or BONDS", - " BOX BOUNDS persist unless reset", - " Any items not matching these patterns are skipped", - " Data files can be gzipped - e.g. xmovie dump.gz", - - NULL, - }; - - char **s; - char *pager; - FILE *pipe; - - /* find user's pager */ - - pager = getenv("PAGER"); - if (!pager || !*pager) pager = "more"; - pipe = popen(pager, "w"); - if (!pipe) pipe = stderr; - - for(s = msg; *s; s++) - fprintf(pipe,"%s\n", *s); - - if (pipe != stderr) pclose(pipe); - - return(0); - -} - -PRIVATE void CheckResources(void) -{ - if (Common.version) Version(); - - if (Common.natomcolors < 0 || Common.natomcolors > MAXCOLORS) - Common.natomcolors = 1; - - if (Common.nbondcolors < 0 || Common.nbondcolors > MAXCOLORS) - Common.nbondcolors = 1; - - if (Common.opaque) Common.hollow = TRUE; - - Common.atoms_visible = - (Bool *) XtMalloc(Common.natomcolors * sizeof(Bool)); - - Common.diameter = - (Dimension *) XtMalloc(Common.natomcolors * sizeof(Dimension)); - - Common.bonds_visible = - (Bool *) XtMalloc(Common.nbondcolors * sizeof(Bool)); - -} - - diff --git a/tools/xmovie/xmovie.h b/tools/xmovie/xmovie.h deleted file mode 100644 index 97bc49bb3..000000000 --- a/tools/xmovie/xmovie.h +++ /dev/null @@ -1,161 +0,0 @@ -#ifndef PRIVATE -#ifdef USEPRIVATE -#define PRIVATE static -#else -#define PRIVATE -#endif -#endif - -#define VERSION "Version 9.0" - -#define NCOLORS 4 -#define MAXCOLORS 24 -#define MAXDIAM 100 -#define MAXTHICK 100 - -#define MagicNumber 12344321 -#define TimeID 100 -#define BoundID 101 -#define PositionID 102 -#define BondID 103 -#define CopyBondID 104 -#define CopyAtomID 105 - -typedef long INT4; -typedef float REAL4; - -typedef INT4 RECORD; -typedef INT4 LENGTH; - -typedef struct { - INT4 index; - INT4 type; - REAL4 x; - REAL4 y; - REAL4 z; - } POSITION; - -typedef struct { - INT4 type; - INT4 index1; - INT4 index2; - POSITION *atom1; - POSITION *atom2; - } BOND; - -typedef struct { - REAL4 low; - REAL4 high; - } BOUND; - -typedef struct { - REAL4 time; - BOUND bounds[3]; - INT4 natoms; - INT4 maxatoms; - POSITION *positions; - INT4 *natypes; - INT4 nbonds; - INT4 maxbonds; - BOND *bonds; - INT4 *nbtypes; - } DATA; - -typedef struct { - Bool *atoms_visible; - Bool *bonds_visible; - Bool hollow; - Bool opaque; - Bool two_d; - Bool pbc_bond; - Bool remap; - Bool scaleflag; - Bool copy_bond; - Bool version; - int natomcolors; - int nbondcolors; - Dimension *diameter; - int init; - int motion; - int saveflag; - unsigned long delay; - int next_pos; - int step; - int dstep; - int axis; - int direction; - BOUND bounds[3]; - int ndata; - int maxdata; - DATA *dataptr; - float position; - float thickness; - float offset[3]; - float scale; - } CommonData; - -extern CommonData Common; -extern Widget TopLevel; -extern char *Progname; - -Widget CreateScene(Widget parent, char *name); -Widget CreateControl(Widget parent, char *name); - -void InitRead(int argc, char **argv); -Boolean ReadProc(XtPointer client_data); - -void RemoveMotion(void); -void InstallMotion(void); -void SceneUpdate(void); -void SceneSave(void); -void SetTime(char *s); -int Usage(void); - -void PositionUpdate(void); -void SpeedUpdate(void); -void ThicknessUpdate(void); -void UpdateRadios(void); -void SceneSize(Dimension *width, Dimension *height); -void Setup(void); -void NewDataSetup(void); - -void ExposeScene(Widget w, XEvent *event, String *strings, - Cardinal *nstrings); - -void ExposeAxes(Widget w, XEvent *event, String *strings, - Cardinal *nstrings); - -int CoerceStep(int step); - -void SetReadString(char *s); - -void SetAtomColors(Pixel *fg); -void SetBondColors(Pixel *fg, Dimension *thick); -void SetBGColor(Pixel bg); - -void Version(void); - -#ifdef MISSINGDEFS - -/* commented this out for SGI gcc compiler -#ifdef stdin -int fprintf(FILE *file, char *fmt, ... ); -int fclose(FILE *file); -int printf(char *fmt, ...); -int fflush(FILE *f); -int pclose(FILE *); -int fread(void *, size_t, size_t, FILE *); -int fseek(FILE *, long int, int); -int ungetc(int c, FILE *f); -#endif -*/ - -#if 0 -void XtTranslateCoords(Widget w, Position x, Position y, Position *rx, - Position *ry); -#endif - -#define EXIT_SUCCESS 0 -#define EXIT_FAILURE 1 - -#endif