JPRED-2 Add sources of all binaries (except alscript) to Git

[jpred.git] / sources / ncoils / read_matrix.c

diff --git a/sources/ncoils/read_matrix.c b/sources/ncoils/read_matrix.c
new file mode 100644 (file)
index 0000000..3c52532
--- /dev/null
+++ b/sources/ncoils/read_matrix.c
@@ -0,0 +1,83 @@
+#include <ncoils.h>
+
+
+struct hept_pref *read_matrix(FILE *IN) {
+
+       int i,j;
+       int pt,aa_len;
+       int win;
+
+       float m_g,sd_g,m_cc,sd_cc,sc;
+       float hept[7];
+
+       char buff[1000],junk[1000];
+
+       struct hept_pref *h;
+
+       aa_len = strlen(AAs);
+
+       h = (struct hept_pref*)malloc(sizeof(struct hept_pref));
+
+       h->m = (float**)malloc(aa_len*sizeof(float*));
+       for(i=0; i<aa_len; ++i) {
+               h->m[i]=(float*)malloc(7*sizeof(float));
+               for(j=0; j<7; ++j) {
+                       h->m[i][j]=-1;
+               }
+       }
+       h->f = (struct fit_dat*)malloc(sizeof(struct fit_dat));
+       h->n = 0;
+       h->smallest=1.0;
+
+       while(fgets(buff,999,IN)!=NULL) {
+               if(buff[0]!='%') {
+                  if((strncmp(buff,"uw ",3)==0) || (strncmp(buff,"w ",2)==0)) {
+                       i = h->n;
+                       if(strncmp(buff,"uw ",3)==0) { h->f[i].w=0; }
+                       else { h->f[i].w=1; }
+                       sscanf(buff,"%s %d %f %f %f %f %f",
+                               &junk[0],&win,&m_cc,&sd_cc,&m_g,&sd_g,&sc);
+                               h->f[i].win   = win;
+                               h->f[i].m_cc  = (float)m_cc; 
+                               h->f[i].sd_cc = (float)sd_cc;
+                               h->f[i].m_g   = (float)m_g;
+                               h->f[i].sd_g  = (float)sd_g;
+                               h->f[i].sc    = (float)sc;
+                       h->n++;
+                       h->f = (struct fit_dat*)realloc(h->f,((h->n)+1)*sizeof(struct fit_dat)); 
+                       if((h->n)>=9) { 
+                               fprintf(stderr,"Error: too many window parms in matrix file\n");
+                               exit(-1);
+                       }
+                   } else if(buff[0]>='A' && buff[0]<='Z') { /* AA data */
+                       pt = (int)(buff[0]-'A');
+                       if(h->m[pt][0]==-1) {
+                               sscanf(buff,"%s%f%f%f%f%f%f%f",
+                                       &junk[0],
+                                       &hept[0],&hept[1],&hept[2],&hept[3],&hept[4],
+                                       &hept[5],&hept[6]);
+                               for(i=0; i<7; ++i) {
+                                       h->m[pt][i] = (float)hept[i];
+                                       if(h->m[pt][i]>0) {
+                                               if(h->m[pt][i]<h->smallest) { h->smallest = h->m[pt][i]; }
+                                       } else {
+                                               h->m[pt][i]=-1; /* Don't permit zero values */
+                                       }
+                               }
+/*                             printf("AA %c %4.2f %4.2f %4.2f %4.2f %4.2f %4.2f %4.2f\n",buff[0],
+                                       h->m[pt][0],h->m[pt][1],h->m[pt][2],h->m[pt][3],h->m[pt][4],
+                                       h->m[pt][5],h->m[pt][6]);
+*/
+
+                       } else {
+                               fprintf(stderr,"Warning: multiple entries for AA %c in matrix file\n",buff[0]);
+                       }
+                   } else {
+                       fprintf(stderr,"Warning: strange characters in matrix file\n");
+                       fprintf(stderr,"Ignoring line: %s",buff);
+                   }
+               }
+       }
+       return h;
+}
+