curry19.c

This program takes ASCII data downloaded directly from the ISODAT Version 5.3 database and prepares it for postprocessing on UNIX machines. The following columns of information must be selected (*) in the Format Editor for this program to work:

curry19.c basically changes the exponential format to fixed, removes extraneous spaces and aligns all columns so the data is screen readable and editable.

/* C program to take series data from mass spec download and format*/
/*originally written by Skip Little, modified Aug1996 by DRO & RG*/

/*to recompile type cc curry19.c which makes a file called "a.out"*/
/*which can be moved to "curry19" for regular running of the program*/


#include 
#include 
#include 

#define MAXLINE 1000
#define MAXOUT 2000
#define MAXWORD 500
#define IN 1
#define OUT 0
#define NO 0
#define YES 1

static char sa44[8]={'S','A','4','4','[','V',']','\0'};
static char st44[8]={'S','T','4','4','[','V',']','\0'};
static char c1312[8]={'1','3','/','1','2','-','C','\0'};
static char o1816[8]={'1','8','/','1','6','-','O','\0'};
static char sd45[6]={'4','5','/','4','4','\0'};
static char sd46[6]={'4','6','/','4','4','\0'};
static char temp[10]={'[','C','e','l','s','i','u','s',']','\0'};
static char micr[11]={'[','m','i','c','r','o','B','A','R',']','\0'};
static char expa[10]={'E','x','p','a','n','s','i','o','n','\0'};
static char pstn[9]={'P','o','s','i','t','i','o','n','\0'};

static char stA[6]={'i','d','e','n','t','\0'};
static char stB[8]={'P','r','o','c','e','s','s','\0'};
static char stC[5]={'A','c','i','d','\0'};
static char stD[10]={'[','C','e','l','s','i','u','s',']','\0'};
static char stE[9]={'s','t','d','.','d','e','v','.','\0'};

static char
std45[15]={'s','t','d','.','d','e','v','.','-','4','5','/','4','4', '\0'};
static char
std46[15]={'s','t','d','.','d','e','v','.','-','4','6','/','4','4', '\0'};
        
main()
{
        int len,max,header;
        int i,j,k,l,m,n,ll;
        char line[MAXLINE];
        int pos[MAXWORD];
        int lng[MAXWORD];
        int nw;
        int cnt;
        int posn;
        int state;
        int nlast=0,nfirst=0,ncol=0,nend=0,nstart=0;
        char c;
        float fnumb;
        int kD;
        /*int kA,kT,kC,kO,k45,k46,kTemp,kPres,kExpn,kPstn;*/
        int ksa44,kst44,kc1312,ko1816,kstd45,kstd46,ktemp,kmicr,kexpa,kpstn;
        int ksa44p,kst44p,kc1312p,ko1816p,kstd45p,kstd46p;
        int intout;
        int icnt,i1,i2,i3,i4,io,iolen,iomax=15;
        char blnk,obuf[100];
/*added the next line to deal with the need to add a constant number*/
/*to the reset spec numbers resulting from bad Finnigan Programming*/
        int specin,specout;
        
max = 0;
header = 1;

while ((len = getline(line, MAXLINE)) > 0) {
        cnt = 0;
        nw = 0;
        posn = 0;
        state = OUT;

  /* fill in leading zero in date:    */
        if (header==0 && line[8]==' ') line[8] = '0';
                
        for (i=0;ii2;--i) {

                                if (line[i] != ' ') {
                                        blnk = NO;
                                        obuf[io] = line[i];
                                        --io;
                        
                                        /* special case:
                                        put space before "cm" or "ug" */
                        
                                        if (((line[i]=='c'&&line[i+1]=='m')
                                                        ||
                                             (line[i]=='u'&&line[i+1]=='g'))

                                                        &&

                                                   isdigit(line[i-1])

                                                        &&

                                                ((line[i+2]=='/')
                                                        ||
                                                 (line[i+2]==' '))       ) {

                                                blnk = YES;
                                                obuf[io] = ' ';
                                                --io;
                                                }
                
                                        }
                                else if (line[i] == ' ' && blnk == NO) {
                                        blnk = YES;
                                        obuf[io] = line[i];
                                        --io;
                                        }
                                }

                        for (io=0;io