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