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lammps/tools/xmovie/scene.c
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scene.c
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/* **************************************************************** */
/* 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);
}
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