# include "util.h" # include "pdb.h" /* ============ */ void DeselectFile(file_records * f) /* ============ */ { int ii; for (ii=0; iiatomnum; ii++) { atom_record * ap = f->atoms[ii]; SWITCH_ON(ap,IGNORE_ATOM); SWITCH_ON(ap,DONT_CALCULATE_ATOM); } } int ComputeOffsetInAtomRecord (atom_record * ap, double * dp) { char * cp = (char *) ap; char * cdp = (char *) dp ; return (cdp - cp) ; } /* ==================== */ double StatsOnResidueDouble /* ==================== */ (residue_record * r, int offset, Statistic * S) { int ii; InitStats(S); for (ii = r->start ; ii < r->end ; ii++) { atom_record * ap = r->file->atoms[ii]; char * cp = (char *) ap; char * cp2 = cp + offset ; double * dp = (double *) cp2 ; IncrementStats(S,*dp); } return S->sum; }