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