From f0c6ed004dd032f9dffd8b77ad73ca7a950e2877 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 20 Mar 2017 16:24:38 -0400
Subject: [PATCH] remove xmovie
---
tools/xmovie/Makefile | 63 -
tools/xmovie/README | 51 -
tools/xmovie/Xdefaults | 51 -
tools/xmovie/control.c | 1340 -------
tools/xmovie/dummy.c | 63 -
tools/xmovie/dummy.dat | 8004 ---------------------------------------
tools/xmovie/hpsort.c | 43 -
tools/xmovie/read.c | 1239 ------
tools/xmovie/resource.h | 244 --
tools/xmovie/scene.c | 673 ----
tools/xmovie/toascii.c | 425 ---
tools/xmovie/tobinary.c | 525 ---
tools/xmovie/version.c | 15 -
tools/xmovie/xmovie.c | 282 --
tools/xmovie/xmovie.h | 161 -
15 files changed, 13179 deletions(-)
delete mode 100755 tools/xmovie/Makefile
delete mode 100644 tools/xmovie/README
delete mode 100755 tools/xmovie/Xdefaults
delete mode 100644 tools/xmovie/control.c
delete mode 100644 tools/xmovie/dummy.c
delete mode 100755 tools/xmovie/dummy.dat
delete mode 100644 tools/xmovie/hpsort.c
delete mode 100644 tools/xmovie/read.c
delete mode 100644 tools/xmovie/resource.h
delete mode 100644 tools/xmovie/scene.c
delete mode 100644 tools/xmovie/toascii.c
delete mode 100644 tools/xmovie/tobinary.c
delete mode 100644 tools/xmovie/version.c
delete mode 100644 tools/xmovie/xmovie.c
delete mode 100644 tools/xmovie/xmovie.h
diff --git a/tools/xmovie/Makefile b/tools/xmovie/Makefile
deleted file mode 100755
index 33a45b2d64..0000000000
--- 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 1b9084dccb..0000000000
--- 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 </apps/xpm/3.4k/rs_aix51/include/X11/xpm.h>
-
diff --git a/tools/xmovie/Xdefaults b/tools/xmovie/Xdefaults
deleted file mode 100755
index a0b536a7fc..0000000000
--- 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 dfa0781620..0000000000
--- a/tools/xmovie/control.c
+++ /dev/null
@@ -1,1340 +0,0 @@
-/* **************************************************************** */
-/* functions to handle control panel (sliders, labels, etc.) */
-
-#include <stdio.h>
-#include <stdlib.h>
-
-#include <X11/Intrinsic.h>
-#include <X11/StringDefs.h>
-#include <X11/Shell.h>
-#include <X11/Xos.h>
-
-#include <X11/Xaw/Cardinals.h>
-
-#include <X11/Xaw/Box.h>
-#include <X11/Xaw/Command.h>
-#include <X11/Xaw/Dialog.h>
-#include <X11/Xaw/Form.h>
-#include <X11/Xaw/Label.h>
-#include <X11/Xaw/MenuButton.h>
-#include <X11/Xaw/Scrollbar.h>
-#include <X11/Xaw/SimpleMenu.h>
-#include <X11/Xaw/Sme.h>
-#include <X11/Xaw/SmeBSB.h>
-#include <X11/Xaw/Toggle.h>
-
-#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 f4d988ec5c..0000000000
--- 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 <math.h>
-#include <stdio.h>
-#include <stdlib.h>
-
-#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 708e83d1f8..0000000000
--- 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
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-ITEM: POSITIONS
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-ITEM: TIME
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-ITEM: POSITIONS
-1, 1, 4.75529, 4.86185, -5
-ITEM: TIME
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-ITEM: POSITIONS
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-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
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-ITEM: POSITIONS
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-ITEM: TIME
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-ITEM: POSITIONS
-1, 1, 2.40878, 4.73043, 1.54506
-ITEM: TIME
-22
-ITEM: POSITIONS
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-ITEM: TIME
-23
-ITEM: POSITIONS
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-ITEM: TIME
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-ITEM: POSITIONS
-1, 1, 0.626679, 4.64888, 4.75527
-ITEM: TIME
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-ITEM: POSITIONS
-1, 1, 1.32679e-05, 4.6194, 5
-ITEM: TIME
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-ITEM: POSITIONS
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-ITEM: TIME
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-ITEM: POSITIONS
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-ITEM: TIME
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-ITEM: POSITIONS
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-ITEM: TIME
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-ITEM: TIME
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-ITEM: TIME
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-ITEM: TIME
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-ITEM: POSITIONS
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-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 4b08c7384c..0000000000
--- 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 8c4556250f..0000000000
--- a/tools/xmovie/read.c
+++ /dev/null
@@ -1,1239 +0,0 @@
-/* **************************************************************** */
-/* functions to read data from files */
-
-#include <stdlib.h>
-#include <stdio.h>
-#include <string.h>
-#include <unistd.h>
-#include <math.h>
-
-/* 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 <X11/Intrinsic.h>
-
-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 418f73eb70..0000000000
--- 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\
- <Key>Return: NoOp()\\n\
- <Key>Up: NoOp()\\n\
- <Key>Down: NoOp()\\n\
- Ctrl<Key>C: NoOp()\\n\
- Ctrl<Key>I: NoOp()\\n\
- Ctrl<Key>J: NoOp()\\n\
- Ctrl<Key>M: NoOp()\\n\
- Ctrl<Key>N: NoOp()\\n\
- Ctrl<Key>O: NoOp()\\n\
- Ctrl<Key>P: NoOp()\\n\
- Ctrl<Key>Q: NoOp()\\n\
- Ctrl<Key>R: NoOp()\\n\
- Ctrl<Key>S: NoOp()\\n\
- Ctrl<Key>V: NoOp()\\n\
- Ctrl<Key>X: NoOp()\\n\
- Ctrl<Key>Z: NoOp()\\n\
- Meta<Key>V: NoOp()",
-
- "*.Toggle.Translations: #replace \\n\
- <EnterWindow>: highlight(Always) \\n\
- <LeaveWindow>: unhighlight() \\n\
- <Btn1Down>,<Btn1Up>: set()notify() \\n\
- <Btn2Down>,<Btn2Up>: set()notify() \\n\
- <Btn3Down>,<Btn3Up>: 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\
- <Expose>: 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\
- <Btn1Down>: StartScroll(Continuous)MoveThumb()NotifyThumb() \\n\
- <Btn3Down>: StartScroll(Continuous)MoveThumb()NotifyThumb() \\n\
- <Btn1Motion>: MoveThumb()NotifyThumb() \\n\
- <Btn3Motion>: 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\
- <Expose>: 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 e021aa580f..0000000000
--- a/tools/xmovie/scene.c
+++ /dev/null
@@ -1,673 +0,0 @@
-/* **************************************************************** */
-/* functions to deal with drawing atoms, etc. */
-
-#include <stdio.h>
-
-#include <X11/Intrinsic.h>
-#include <X11/StringDefs.h>
-#include <X11/Shell.h>
-
-#include <X11/Xaw/Label.h>
-#include <X11/Xaw/Cardinals.h>
-
-#include <X11/xpm.h>
-
-#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 94dc4a1219..0000000000
--- 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 */
-/* <records> */
-/* */
-/* 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 <stdio.h>
-#include <stdlib.h>
-#include <string.h>
-
-#ifdef MISSINGDEFS
-#include <unistd.h>
-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 728dd7c10d..0000000000
--- 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 */
-/* <records> */
-/* */
-/* 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 <stdio.h>
-#include <stdlib.h>
-#include <string.h>
-
-#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 364fa4ab0c..0000000000
--- a/tools/xmovie/version.c
+++ /dev/null
@@ -1,15 +0,0 @@
-#include <stdio.h>
-#include <stdlib.h>
-
-#include <X11/StringDefs.h>
-#include <X11/Intrinsic.h>
-
-#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 b6a7c893cd..0000000000
--- 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 <stdio.h>
-#include <stdlib.h>
-
-#include <X11/StringDefs.h>
-
-#include <X11/Intrinsic.h>
-#include <X11/Xaw/Form.h>
-#include <X11/Xaw/Cardinals.h>
-
-#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 97bc49bb34..0000000000
--- 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
--
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