sources/ncoils/read_matrix.c

   1 #include <ncoils.h>
   2
   3
   4 struct hept_pref *read_matrix(FILE *IN) {
   5
   6         int i,j;
   7         int pt,aa_len;
   8         int win;
   9
  10         float m_g,sd_g,m_cc,sd_cc,sc;
  11         float hept[7];
  12
  13         char buff[1000],junk[1000];
  14
  15         struct hept_pref *h;
  16
  17         aa_len = strlen(AAs);
  18
  19         h = (struct hept_pref*)malloc(sizeof(struct hept_pref));
  20
  21         h->m = (float**)malloc(aa_len*sizeof(float*));
  22         for(i=0; i<aa_len; ++i) {
  23                 h->m[i]=(float*)malloc(7*sizeof(float));
  24                 for(j=0; j<7; ++j) {
  25                         h->m[i][j]=-1;
  26                 }
  27         }
  28         h->f = (struct fit_dat*)malloc(sizeof(struct fit_dat));
  29         h->n = 0;
  30         h->smallest=1.0;
  31
  32         while(fgets(buff,999,IN)!=NULL) {
  33                 if(buff[0]!='%') {
  34                    if((strncmp(buff,"uw ",3)==0) || (strncmp(buff,"w ",2)==0)) {
  35                         i = h->n;
  36                         if(strncmp(buff,"uw ",3)==0) { h->f[i].w=0; }
  37                         else { h->f[i].w=1; }
  38                         sscanf(buff,"%s %d %f %f %f %f %f",
  39                                 &junk[0],&win,&m_cc,&sd_cc,&m_g,&sd_g,&sc);
  40                                 h->f[i].win   = win;
  41                                 h->f[i].m_cc  = (float)m_cc;
  42                                 h->f[i].sd_cc = (float)sd_cc;
  43                                 h->f[i].m_g   = (float)m_g;
  44                                 h->f[i].sd_g  = (float)sd_g;
  45                                 h->f[i].sc    = (float)sc;
  46                         h->n++;
  47                         h->f = (struct fit_dat*)realloc(h->f,((h->n)+1)*sizeof(struct fit_dat));
  48                         if((h->n)>=9) {
  49                                 fprintf(stderr,"Error: too many window parms in matrix file\n");
  50                                 exit(-1);
  51                         }
  52                     } else if(buff[0]>='A' && buff[0]<='Z') { /* AA data */
  53                         pt = (int)(buff[0]-'A');
  54                         if(h->m[pt][0]==-1) {
  55                                 sscanf(buff,"%s%f%f%f%f%f%f%f",
  56                                         &junk[0],
  57                                         &hept[0],&hept[1],&hept[2],&hept[3],&hept[4],
  58                                         &hept[5],&hept[6]);
  59                                 for(i=0; i<7; ++i) {
  60                                         h->m[pt][i] = (float)hept[i];
  61                                         if(h->m[pt][i]>0) {
  62                                                 if(h->m[pt][i]<h->smallest) { h->smallest = h->m[pt][i]; }
  63                                         } else {
  64                                                 h->m[pt][i]=-1; /* Don't permit zero values */
  65                                         }
  66                                 }
  67 /*                              printf("AA %c %4.2f %4.2f %4.2f %4.2f %4.2f %4.2f %4.2f\n",buff[0],
  68                                         h->m[pt][0],h->m[pt][1],h->m[pt][2],h->m[pt][3],h->m[pt][4],
  69                                         h->m[pt][5],h->m[pt][6]);
  70 */
  71
  72                         } else {
  73                                 fprintf(stderr,"Warning: multiple entries for AA %c in matrix file\n",buff[0]);
  74                         }
  75                     } else {
  76                         fprintf(stderr,"Warning: strange characters in matrix file\n");
  77                         fprintf(stderr,"Ignoring line: %s",buff);
  78                     }
  79                 }
  80         }
  81         return h;
  82 }
  83