#define VERSION 080130
#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include<time.h>

#define qq puts("bla\n");

#define NR_END 1
#define FREE_ARG char*

void nrerror(char[]);
float *vector(long,long);
int *dvector(int,int);
void free_vector(float*,long,long);
long random(void);

int main(int argc,char *argv[])
{

int i,j,k,*element;
int numline=0,ntypes,*types;
float dx,dy,dz,boxsize;
float *x,*y,*z;
char line[100],labeltype[100];

FILE *in;

if(argc!=2)
        {
        fprintf(stderr,"\nYou need to supply ./cfg2xzy filename\n"); 
        fprintf(stderr,"Converts .cfg files into xyz data (Angstroms).\n");
        return 1;
        }

        if (!(in=fopen(argv[1],"r")))
                {
                fprintf(stderr,"Unable to open file %s\n",argv[1]);
                return 1;
                }

while (fgets(line,100,in)) {
        numline=numline+1;
        }
fclose(in);
in=fopen(argv[1],"r");

fprintf(stderr,"\nNumber of atom types: ");
scanf("%d",&ntypes);
types=dvector(0,ntypes);
types[0]=0;
for(i=1;i<=ntypes;i++){
	fprintf(stderr,"Number of atoms of type %d: ",i);
	scanf("%d",&types[i]);
	}

fprintf(stderr,"BoxSize: ");
scanf("%f",&boxsize);

element=dvector(1,numline);
x=vector(1,numline);
y=vector(1,numline);
z=vector(1,numline);

//---Reads data in from file----//
k=1;
for(i=1;i<=ntypes;i++){
	for(j=1;j<=types[i];j++){
		fgets(line,100,in);
		sscanf(line,"%f%f%f",&dx,&dy,&dz);
		x[k]=dx*(boxsize/1.);
		y[k]=dy*(boxsize/1.);
		z[k]=dz*(boxsize/1.);
		element[k]=i;
		k++;
		}
	}
numline=k-1;
k=1;
element[0]=1;
fprintf(stdout,"%d\n",numline);
fprintf(stderr,"Label for atom type 1: ");
scanf("%s",labeltype);
for(i=1;i<=numline;i++){
	fprintf(stdout,"%s\t%d\t%f\t%f\t%f\n",labeltype,i,x[i],y[i],z[i]);
	if(element[i]!=element[i-1]){
		k++;
		fprintf(stderr,"Label for atom type %d: ",k);
		scanf("%s",labeltype);
		}
	}














fclose(in);
return 0;
}

void nrerror(char error_text[])
{
    fprintf(stderr,"Numerical Recipes run-time error...\n");
    fprintf(stderr,"%s\n",error_text);
    fprintf(stderr,"...now exiting to system...\n");
    exit(1);
}

int *dvector(int nl,int nh)
{
        int *v;
        v=(int *)malloc((size_t)((nh-nl+ 1 +NR_END)*sizeof(int)));
        if (!v) nrerror("Allocation failure in dvector()");
        return v-nl+NR_END;
}
	
float *vector(long nl,long nh)
{
        float *v;
        v=(float *)malloc((size_t)((nh-nl+ 1 +NR_END)*sizeof(float)));
        if (!v) nrerror("Allocation failure in vector()");
        return v-nl+NR_END;
}

void free_vector(float *v,long nl, long nh)
{
        free((FREE_ARG)(v+nl-NR_END));
}