/*
The permission is granted to use the software as is and redistribute it in
its original and complete form. If you find this program useful and publish
results obtained by it, please cite the program as:
Michael Whitbeck, Desert Research Institute, 1991, "REACT - Program to solve
kinetic equations for chemical systems". Version 1.00, this code is
available from the authors or from Dr. Whitbeck.
*/

/*
  reaction parser
*/

#include <string.h>
#include "rxn.h"

extern float atof();
extern char *strtok();
extern char *malloc();
extern int strcmp();
static char *ARROW="->";

extern int inlist();

char * geta(str) register char *str;
{
register int i;
for(i=0;i<SIZE;i++) str[i]='\0';
fgets(str,SIZE-1,mech); str[strlen(str)-1] = '\0';
return (str);
}

int add_list(w) char *w;
{
if (strcmp(ARROW,w) == 0) {RP_FLAG = 2; return 0 ;}
strcat(SPECIES," ");
strcat(SPECIES,w);
strcat(SPECIES," ");
NS++;
return NS;
}

void rxnparse(numr, nums) int *numr, *nums;
{
int js[1000], id, j;
char *tokens=" $	,+;:(){}[]";
char *word;
char *line;

NR=NS=RP_FLAG=0;
line = (char *)malloc(SIZE); /* 400 character line limit */
SPECIES = (char *)malloc(SPESIZE);
altlist = (char *)malloc(SPESIZE);
if ((line == NULL ) || (SPECIES == NULL) || (altlist == NULL)) 
  bail("insufficient memory");
mech = fopen(mechanism,"r");
if (mech == NULL) bail("Could not open mechanism file");
while (geta(line)) {    /* read stdin until EOF */
        if (strlen(line) <4) break;
	RP_FLAG = 0; NR++; j = 1; R[NR].rate = 0.0;
        printf("%d\) %s\n", NR,line);
	word=strtok(line," $	"); /* first word */
	R[NR].k = atof(word); /* rate constant */
	word=strtok(NULL,tokens); /* get next word */
	while (word) { /* process until none left */
		if (!(id = inlist(SPECIES,word)))
			js[NS] = id =add_list(word);
		if (j > MSPR) bail ("too many reactants + species");
		switch (RP_FLAG){
		case 0:
			R[NR].s[j++] = id;
			break;
		case 1:
			R[NR].s[j++] = id;
			break;
		case 2: RP_FLAG =1;
			R[NR].s[j++] = 0;
		default: break;
		}
		word=strtok(NULL,tokens); /* get next word */
		}
	if ( j < 2) bail ("no reactants or products");
	R[NR].n = j -1;
      }

#ifdef DEBUG
printf("list\n%s\n",SPECIES);
#endif

*numr = NR; *nums = NS;
Y = (double *)malloc((unsigned)((NS+1)*sizeof(double)));
if (Y == NULL) bail("insufficient memory");
DY = (double *)malloc((unsigned)((NS+1)*sizeof(double)));
if (DY == NULL) bail("insufficient memory");
fclose(mech);
}