Subj : structures problem
To   : borland.public.cpp.borlandcpp
From : Viktor Popov
Date : Sat Jul 24 2004 06:30 pm

Hi,
I have a problem reading a file and outputing the result using
structers.Could you check this code and if you see something that is not
correct, please let me know, because I am really upset.My code looks like:

#include <stdio.h>
#include <conio.h>
#include <stdlib.h>
#include <string.h>
#include <math.h>

char *AtomNumber(char *str,int start);
struct SSEList *BuildSSE(FILE *fp,struct SSEList *sse);
void PrintSSE(struct SSEList *sse,int br);


struct SSEList{
char type[5]; ----------------------------->I don't use this. If I comment
this row everything goes wrong.... the first element of the structure is not
the right one.
 int num_beg;
 int num_end;
}*sse;


FILE *fp;
char *file_name;
int br;

int main(int argc,char *argv[])
{
 if((sse=(struct SSEList *)malloc(100*sizeof(struct SSEList)))==NULL)
 {
  printf("\nAllocation error!");
  return 1;
 }

 clrscr();
 fflush(stdin); //iz4istwa buferite


 if(argc<2){
  printf("Nepravilno vavedeni parametri na programata!");
  return(1);
 }

 if((fp = fopen(argv[1], "r")) == NULL){
  printf("Error opening file.\n");
  return(1);
 }
 file_name=argv[1];
 printf("Opening file %s\n",file_name);

 struct SSEList *s=(struct SSEList *)malloc(100*sizeof(struct SSEList));
 s = BuildSSE(fp,sse);
 PrintSSE(s,br);

 free(sse);free(s);
 fclose(fp);
 getch();
 return 0;
}




char *AtomNumber(char *str,int start,int final)
{
char *number;
int num_i=0;
number[0]='\0';
 for(int i=start;i<final;i++)
 {
  if(str[i]!=' ')
  {
   number[num_i]=str[i];
   num_i++;
  }
 }
 number[num_i]='\0';
 return number;
}

struct SSEList *BuildSSE(FILE *fp,struct SSEList *sse)
{

char *str,*temp,*ime;
int h=0,s=0;


br=0;
do{
 fgets(str,200,fp);
 strncpy(temp,str,5);
 temp[5]='\0';

 if(strcmp(temp,"HELIX")==0)
 {
  h++;

  //write the number of the first atom in SSE
  sse[br].num_beg=atoi(AtomNumber(str,21,25));

  //write the number of the last atom in SSE
  sse[br].num_end=atoi(AtomNumber(str,33,37));
  br++;
 }
 if(strcmp(temp,"SHEET")==0)
 {
  s++;

  //write the number of the first atom in SSE
  sse[br].num_beg=atoi(AtomNumber(str,22,26));

  //write the number of the last atom in SSE
  sse[br].num_end=atoi(AtomNumber(str,33,37));
  br++;
 }

}while(!feof(fp));

printf("\BROI SSE=%d",br);
printf("\tHELIX=%d\tSHEET=%d\n",h,s);

return sse;
}

void PrintSSE(struct SSEList *sse,int br)
{
 for(int i=0;i<br;i++)
 {
  printf("\nsse%d\t%d",i+1,sse[i].num_beg);
  printf("\t%d",sse[i].num_end);
 }

}

I read from this file. And i input the arguments from Command Line as you
can see.

HEADER    HYDROLASE INHIBITOR(SERINE PROTEINASE)  13-APR-92   1HLE      1HLE
2
COMPND    HORSE LEUKOCYTE ELASTASE INHIBITOR (HLEI)                     1HLE
3
SOURCE    HORSE (EQUUS CABALLUS) BLOOD (LEUKOCYTES)                     1HLE
4
AUTHOR    U.BAUMANN,W.BODE,R.HUBER,J.TRAVIS,J.POTEMPA                   1HLE
5
REVDAT   1   31-JAN-94 1HLE    0                                        1HLE
6
JRNL        AUTH   U.BAUMANN,W.BODE,R.HUBER,J.TRAVIS,J.POTEMPA          1HLE
7
JRNL        TITL   CRYSTAL STRUCTURE OF CLEAVED EQUINE LEUCOCYTE        1HLE
8
JRNL        TITL 2 ELASTASE INHIBITOR DETERMINED AT 1.95 ANGSTROMS      1HLE
9
JRNL        TITL 3 RESOLUTION                                           1HLE
10
JRNL        REF    J.MOL.BIOL.                   V. 226  1207 1992      1HLE
11
JRNL        REFN   ASTM JMOBAK  UK ISSN 0022-2836                  070  1HLE
12
REMARK   1                                                              1HLE
13
REMARK   2                                                              1HLE
14
REMARK   2 RESOLUTION. 1.95 ANGSTROMS.                                  1HLE
15
REMARK   3                                                              1HLE
16
REMARK   3 REFINEMENT.                                                  1HLE
17
REMARK   3   PROGRAM                    X-PLOR                          1HLE
18
REMARK   3   AUTHORS                    BRUNGER                         1HLE
19
HELIX    1 HA  MET A   23  ASP A   45  1                                1HLE
88
HELIX    2 HB  PRO A   54  LEU A   66  1                                1HLE
89
HELIX    3 HC  ARG A   69  LEU A   80  1                                1HLE
90
HELIX    4 HD  ASP A   91  ASN A  104  1                                1HLE
91
HELIX    5 HE  LEU A  127  TYR A  138  1                                1HLE
92
HELIX    6 HF  PRO A  150  THR A  165  1                                1HLE
93
HELIX    7 HG  LEU A  260  GLN A  266  1                                1HLE
94
HELIX    8 HH  LEU A  269  LYS A  277  1                                1HLE
95
HELIX    9 HI  LEU A  299  LEU A  303  1                                1HLE
96
HELIX   10 HI1 ASN A  313  ALA A  316  1                                1HLE
97
SHEET    1 A   6 GLU A 141  VAL A 145  0                                1HLE
98
SHEET    2 A   6 ILE A 111  LYS A 122  1                                1HLE
99
SHEET    3 A   6 LEU A 182  GLY A 192 -1                                1HLE
100
SHEET    4 A   6 GLY A 344  LEU A 356 -1                                1HLE
101
SHEET    5 A   6 PHE A 328  ASN A 341 -1                                1HLE
102
SHEET    6 A   6 PHE A 291  LEU A 299 -1                                1HLE
103
SHEET    1 B   6 PRO A 228  GLU A 233  0                                1HLE
104
SHEET    2 B   6 LYS A 236  TYR A 244 -1                                1HLE
105
SHEET    3 B   6 GLU A 247  LEU A 254 -1                                1HLE
106
SHEET    4 B   6 PHE B 370  ASN B 377 -1                                1HLE
107
SHEET    5 B   6 ALA B 380  PHE B 388 -1                                1HLE
108
SHEET    6 B   6 ILE A  50  ILE A  52 -1                                1HLE
109
SHEET    1 C   4 GLU B 361  PHE B 364  0                                1HLE
110
SHEET    2 C   4 TYR A 280  ARG A 290 -1                                1HLE
111
SHEET    3 C   4 LYS A 216  TYR A 229  1                                1HLE
112
SHEET    4 C   4 ARG A 204  PHE A 208  1                                1HLE
113






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