#ifndef __FIT_H__ #define __FIT_H__ #ifdef __cplusplus extern "C" { #endif # include "pdb.h" # ifndef MAKESTRING # define MAKESTRING(splicearg) #splicearg # endif # define XPLORMATPRI(nr) \ { printf("%s [%3d]: << matrix %s >>\n",__FILE__,__LINE__,MAKESTRING(nr)); wrapmp_(nr33tofort(nr));} double MyFit(double ** RotMat, double * TVect, file_records *Moving, file_records *Fixed) ; double * nr33tofort(double ** nr) ; int NSelectCA(file_records * f, TokenizeData *d) ; int EquivSelectCA(file_records *f1, file_records *f2, TokenizeData *d) ; # include "fit.prototypes.h" /* Public Fortran Routines: SUBROUTINE GETLMN(ROT,KAPPA,R) SUBROUTINE WRAPMP(ROT) */ /* For More fitting routines see the Hendrickson fitting routines in WH_super. */ #ifdef __cplusplus } #endif #endif /* !__FIT_H__ */