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cmtzlib_f.c File Reference

Fortran API for input, output and manipulation of MTZ files. More...

#include <math.h>
#include <stdio.h>
#include <string.h>
#include <stdlib.h>
#include "ccp4_fortran.h"
#include "ccp4_utils.h"
#include "cmtzlib.h"
#include "csymlib.h"
#include "ccp4_program.h"
#include "ccp4_general.h"

Defines

#define CMTZLIB_DEBUG(x)

#define MFILES 4

#define MAXSYM 192

Functions

void MtzMemTidy (void)

int MtzCheckSubInput (const int mindx, const char *subname, const int rwmode)

FORTRAN_SUBR (MTZINI, mtzini,(),(),())

FORTRAN_SUBR (LROPEN, lropen,(int *mindx, fpstr filename, int *iprint, int *ifail, int filename_len),(int *mindx, fpstr filename, int *iprint, int *ifail),(int *mindx, fpstr filename, int filename_len, int *iprint, int *ifail))

FORTRAN_SUBR (LRTITL, lrtitl,(int *mindx, fpstr ftitle, int *len, int ftitle_len),(int *mindx, fpstr ftitle, int *len),(int *mindx, fpstr ftitle, int ftitle_len, int *len))

FORTRAN_SUBR (LRHIST, lrhist,(int *mindx, fpstr hstrng, int *nlines, int hstrng_len),(int *mindx, fpstr hstrng, int *nlines),(int *mindx, fpstr hstrng, int hstrng_len, int *nlines))

FORTRAN_SUBR (LRINFO, lrinfo,(int *mindx, fpstr versnx, int *ncolx, int *nreflx, float *ranges, int versnx_len),(int *mindx, fpstr versnx, int *ncolx, int *nreflx, float *ranges),(int *mindx, fpstr versnx, int versnx_len, int *ncolx, int *nreflx, float *ranges))

FORTRAN_SUBR (LRNCOL, lrncol,(int *mindx, int *ncolx),(int *mindx, int *ncolx),(int *mindx, int *ncolx))

FORTRAN_SUBR (LRNREF, lrnref,(int *mindx, int *nreflx),(int *mindx, int *nreflx),(int *mindx, int *nreflx))

FORTRAN_SUBR (LRSORT, lrsort,(int *mindx, int sortx[5]),(int *mindx, int sortx[5]),(int *mindx, int sortx[5]))

FORTRAN_SUBR (LRBATS, lrbats,(int *mindx, int *nbatx, int batchx[]),(int *mindx, int *nbatx, int batchx[]),(int *mindx, int *nbatx, int batchx[]))

FORTRAN_SUBR (LRCLAB, lrclab,(int *mindx, fpstr clabs, fpstr ctyps, int *ncol, int clabs_len, int ctyps_len),(int *mindx, fpstr clabs, fpstr ctyps, int *ncol),(int *mindx, fpstr clabs, int clabs_len, fpstr ctyps, int ctyps_len, int *ncol))

FORTRAN_SUBR (LRCLID, lrclid,(int *mindx, int csetid[], int *ncol),(int *mindx, int csetid[], int *ncol),(int *mindx, int csetid[], int *ncol))

FORTRAN_SUBR (LRCELL, lrcell,(int *mindx, float cell[]),(int *mindx, float cell[]),(int *mindx, float cell[]))

FORTRAN_SUBR (LRRSOL, lrrsol,(int *mindx, float *minres, float *maxres),(int *mindx, float *minres, float *maxres),(int *mindx, float *minres, float *maxres))

FORTRAN_SUBR (LRSYMI, lrsymi,(int *mindx, int *nsympx, fpstr ltypex, int *nspgrx, fpstr spgrnx, fpstr pgnamx, int ltypex_len, int spgrnx_len, int pgnamx_len),(int *mindx, int *nsympx, fpstr ltypex, int *nspgrx, fpstr spgrnx, fpstr pgnamx),(int *mindx, int *nsympx, fpstr ltypex, int ltypex_len, int *nspgrx, fpstr spgrnx, int spgrnx_len, fpstr pgnamx, int pgnamx_len))

FORTRAN_SUBR (LRSYMM, lrsymm,(int *mindx, int *nsymx, float rsymx[MAXSYM][4][4]),(int *mindx, int *nsymx, float rsymx[MAXSYM][4][4]),(int *mindx, int *nsymx, float rsymx[MAXSYM][4][4]))

FORTRAN_SUBR (LKYIN, lkyin,(const int *mindx, const fpstr lsprgi, const int *nlprgi, const int *ntok, const fpstr labin_line, const int ibeg[], const int iend[], int lsprgi_len, int labin_line_len),(const int *mindx, const fpstr lsprgi, const int *nlprgi, const int *ntok, const fpstr labin_line, const int ibeg[], const int iend[]),(const int *mindx, const fpstr lsprgi, int lsprgi_len, const int *nlprgi, const int *ntok, const fpstr labin_line, int labin_line_len, const int ibeg[], const int iend[]))

FORTRAN_SUBR (LKYOUT, lkyout,(const int *mindx, const fpstr lsprgo, const int *nlprgo, const int *ntok, const fpstr labin_line, const int ibeg[], const int iend[], int lsprgo_len, int labin_line_len),(const int *mindx, const fpstr lsprgo, const int *nlprgo, const int *ntok, const fpstr labin_line, const int ibeg[], const int iend[]),(const int *mindx, const fpstr lsprgo, int lsprgo_len, const int *nlprgo, const int *ntok, const fpstr labin_line, int labin_line_len, const int ibeg[], const int iend[]))

FORTRAN_SUBR (LKYSET, lkyset,(const fpstr lsprgi, const int *nlprgi, fpstr lsusrj, int kpoint[], const int *itok, const int *ntok, const fpstr labin_line, const int ibeg[], const int iend[], int lsprgi_len, int lsusrj_len, int labin_line_len),(const fpstr lsprgi, const int *nlprgi, fpstr lsusrj, int kpoint[], const int *itok, const int *ntok, const fpstr labin_line, const int ibeg[], const int iend[]),(const fpstr lsprgi, int lsprgi_len, const int *nlprgi, fpstr lsusrj, int lsusrj_len, int kpoint[], const int *itok, const int *ntok, const fpstr labin_line, int labin_line_len, const int ibeg[], const int iend[]))

FORTRAN_SUBR (LRASSN, lrassn,(const int *mindx, fpstr lsprgi, int *nlprgi, int lookup[], fpstr ctprgi, int lsprgi_len, int ctprgi_len),(const int *mindx, fpstr lsprgi, int *nlprgi, int lookup[], fpstr ctprgi),(const int *mindx, fpstr lsprgi, int lsprgi_len, int *nlprgi, int lookup[], fpstr ctprgi, int ctprgi_len))

FORTRAN_SUBR (LRIDX, lridx,(const int *mindx, fpstr project_name, fpstr crystal_name, fpstr dataset_name, int *isets, float *datcell, float *datwave, int *ndatasets, int project_name_len, int crystal_name_len, int dataset_name_len),(const int *mindx, fpstr project_name, fpstr crystal_name, fpstr dataset_name, int *isets, float *datcell, float *datwave, int *ndatasets),(const int *mindx, fpstr project_name, int project_name_len, fpstr crystal_name, int crystal_name_len, fpstr dataset_name, int dataset_name_len, int *isets, float *datcell, float *datwave, int *ndatasets))

FORTRAN_SUBR (LRCELX, lrcelx,(const int *mindx, const int *iset, float *mtzcell),(const int *mindx, const int *iset, float *mtzcell),(const int *mindx, const int *iset, float *mtzcell))

FORTRAN_SUBR (LRIDC, lridc,(const int *mindx, fpstr project_name, fpstr dataset_name, int *isets, float *datcell, float *datwave, int *ndatasets, int project_name_len, int dataset_name_len),(const int *mindx, fpstr project_name, fpstr dataset_name, int *isets, float *datcell, float *datwave, int *ndatasets),(const int *mindx, fpstr project_name, int project_name_len, fpstr dataset_name, int dataset_name_len, int *isets, float *datcell, float *datwave, int *ndatasets))

FORTRAN_SUBR (LRID, lrid,(const int *mindx, fpstr project_name, fpstr dataset_name, int *isets, int *ndatasets, int project_name_len, int dataset_name_len),(const int *mindx, fpstr project_name, fpstr dataset_name, int *isets, int *ndatasets),(const int *mindx, fpstr project_name, int project_name_len, fpstr dataset_name, int dataset_name_len, int *isets, int *ndatasets))

FORTRAN_SUBR (LRSEEK, lrseek,(const int *mindx, int *nrefl),(const int *mindx, int *nrefl),(const int *mindx, int *nrefl))

FORTRAN_SUBR (LRREFL, lrrefl,(const int *mindx, float *resol, float adata[], ftn_logical *eof),(const int *mindx, float *resol, float adata[], ftn_logical *eof),(const int *mindx, float *resol, float adata[], ftn_logical *eof))

FORTRAN_SUBR (LRREFM, lrrefm,(const int *mindx, ftn_logical logmiss[]),(const int *mindx, ftn_logical logmiss[]),(const int *mindx, ftn_logical logmiss[]))

FORTRAN_SUBR (MTZ_CHECK_FOR_MNF, mtz_check_for_mnf,(const int *mindx, const int *ndata, float adata[], ftn_logical logmiss[]),(const int *mindx, const int *ndata, float adata[], ftn_logical logmiss[]),(const int *mindx, const int *ndata, float adata[], ftn_logical logmiss[]))

FORTRAN_SUBR (LHPRT, lhprt,(const int *mindx, const int *iprint),(const int *mindx, const int *iprint),(const int *mindx, const int *iprint))

FORTRAN_SUBR (LRBAT, lrbat,(const int *mindx, int *batno, float rbatch[], fpstr cbatch, const int *iprint, int cbatch_len),(const int *mindx, int *batno, float rbatch[], fpstr cbatch, const int *iprint),(const int *mindx, int *batno, float rbatch[], fpstr cbatch, int cbatch_len, const int *iprint))

FORTRAN_SUBR (LBPRT, lbprt,(const int *ibatch, const int *iprint, float rbatch[], fpstr cbatch, int cbatch_len),(const int *ibatch, const int *iprint, float rbatch[], fpstr cbatch),(const int *ibatch, const int *iprint, float rbatch[], fpstr cbatch, int cbatch_len))

FORTRAN_SUBR (LRBRES, lrbres,(const int *mindx, const int *batno),(const int *mindx, const int *batno),(const int *mindx, const int *batno))

FORTRAN_SUBR (LRBTIT, lrbtit,(const int *mindx, const int *batno, fpstr tbatch, const int *iprint, int tbatch_len),(const int *mindx, const int *batno, fpstr tbatch, const int *iprint),(const int *mindx, const int *batno, fpstr tbatch, int tbatch_len, const int *iprint))

FORTRAN_SUBR (LRBSCL, lrbscl,(const int *mindx, const int *batno, float batscl[], int *nbatsc),(const int *mindx, const int *batno, float batscl[], int *nbatsc),(const int *mindx, const int *batno, float batscl[], int *nbatsc))

FORTRAN_SUBR (LRBSETID, lrbsetid,(const int *mindx, const int *batno, int *bsetid),(const int *mindx, const int *batno, int *bsetid),(const int *mindx, const int *batno, int *bsetid))

FORTRAN_SUBR (LRREWD, lrrewd,(const int *mindx),(const int *mindx),(const int *mindx))

FORTRAN_SUBR (LSTRSL, lstrsl,(const int *mindx, const float *a, const float *b, const float *c, const float *alpha, const float *beta, const float *gamma),(const int *mindx, const float *a, const float *b, const float *c, const float *alpha, const float *beta, const float *gamma),(const int *mindx, const float *a, const float *b, const float *c, const float *alpha, const float *beta, const float *gamma))

FORTRAN_SUBR (LSTLSQ1, lstlsq1,(float *reso, const int *mindx, const int *ih, const int *ik, const int *il),(float *reso, const int *mindx, const int *ih, const int *ik, const int *il),(float *reso, const int *mindx, const int *ih, const int *ik, const int *il))

FORTRAN_SUBR (LWOPEN_NOEXIT, lwopen_noexit,(const int *mindx, fpstr filename, int *ifail, int filename_len),(const int *mindx, fpstr filename, int *ifail),(const int *mindx, fpstr filename, int filename_len, int *ifail))

FORTRAN_SUBR (LWOPEN, lwopen,(const int *mindx, fpstr filename, int filename_len),(const int *mindx, fpstr filename),(const int *mindx, fpstr filename, int filename_len))

FORTRAN_SUBR (LWTITL, lwtitl,(const int *mindx, const fpstr ftitle, const int *flag, int ftitle_len),(const int *mindx, const fpstr ftitle, const int *flag),(const int *mindx, const fpstr ftitle, int ftitle_len, const int *flag))

FORTRAN_SUBR (LWSORT, lwsort,(const int *mindx, int sortx[5]),(const int *mindx, int sortx[5]),(const int *mindx, int sortx[5]))

FORTRAN_SUBR (LWHSTL, lwhstl,(int *mindx, const fpstr hstrng, int hstrng_len),(int *mindx, const fpstr hstrng),(int *mindx, const fpstr hstrng, int hstrng_len))

FORTRAN_SUBR (LWID, lwid,(const int *mindx, const fpstr project_name, const fpstr dataset_name, int project_name_len, int dataset_name_len),(const int *mindx, const fpstr project_name, const fpstr dataset_name),(const int *mindx, const fpstr project_name, int project_name_len, const fpstr dataset_name, int dataset_name_len))

FORTRAN_SUBR (LWIDC, lwidc,(const int *mindx, const fpstr project_name, const fpstr dataset_name, float datcell[6], float *datwave, int project_name_len, int dataset_name_len),(const int *mindx, const fpstr project_name, const fpstr dataset_name, float datcell[6], float *datwave),(const int *mindx, const fpstr project_name, int project_name_len, const fpstr dataset_name, int dataset_name_len, float datcell[6], float *datwave))

FORTRAN_SUBR (LWIDX, lwidx,(const int *mindx, const fpstr project_name, const fpstr crystal_name, const fpstr dataset_name, float datcell[6], float *datwave, int project_name_len, int crystal_name_len, int dataset_name_len),(const int *mindx, const fpstr project_name, const fpstr crystal_name, const fpstr dataset_name, float datcell[6], float *datwave),(const int *mindx, const fpstr project_name, int project_name_len, const fpstr crystal_name, int crystal_name_len, const fpstr dataset_name, int dataset_name_len, float datcell[6], float *datwave))

FORTRAN_SUBR (LWCELL, lwcell,(const int *mindx, float cell[6]),(const int *mindx, float cell[6]),(const int *mindx, float cell[6]))

FORTRAN_SUBR (LWIDAS, lwidas,(const int *mindx, int *nlprgo, fpstr pname, fpstr dname, int *iappnd, int pname_len, int dname_len),(const int *mindx, int *nlprgo, fpstr pname, fpstr dname, int *iappnd),(const int *mindx, int *nlprgo, fpstr pname, int pname_len, fpstr dname, int dname_len, int *iappnd))

FORTRAN_SUBR (LWIDASX, lwidasx,(const int *mindx, int *nlprgo, fpstr xname, fpstr dname, int *iappnd, int xname_len, int dname_len),(const int *mindx, int *nlprgo, fpstr xname, fpstr dname, int *iappnd),(const int *mindx, int *nlprgo, fpstr xname, int xname_len, fpstr dname, int dname_len, int *iappnd))

FORTRAN_SUBR (LWIDALL, lwidall,(const int *mindx, fpstr xname, fpstr dname, int xname_len, int dname_len),(const int *mindx, fpstr xname, fpstr dname),(const int *mindx, fpstr xname, int xname_len, fpstr dname, int dname_len))

FORTRAN_SUBR (LWSYMM, lwsymm,(int *mindx, int *nsymx, int *nsympx, float rsymx[MAXSYM][4][4], fpstr ltypex, int *nspgrx, fpstr spgrnx, fpstr pgnamx, int ltypex_len, int spgrnx_len, int pgnamx_len),(int *mindx, int *nsymx, int *nsympx, float rsymx[MAXSYM][4][4], fpstr ltypex, int *nspgrx, fpstr spgrnx, fpstr pgnamx),(int *mindx, int *nsymx, int *nsympx, float rsymx[MAXSYM][4][4], fpstr ltypex, int ltypex_len, int *nspgrx, fpstr spgrnx, int spgrnx_len, fpstr pgnamx, int pgnamx_len))

FORTRAN_SUBR (LWASSN, lwassn,(const int *mindx, fpstr lsprgo, const int *nlprgo, fpstr ctprgo, int *iappnd, int lsprgo_len, int ctprgo_len),(const int *mindx, fpstr lsprgo, const int *nlprgo, fpstr ctprgo, int *iappnd),(const int *mindx, fpstr lsprgo, int lsprgo_len, const int *nlprgo, fpstr ctprgo, int ctprgo_len, int *iappnd))

FORTRAN_SUBR (LWBAT, lwbat,(const int *mindx, int *batno, float rbatch[], fpstr cbatch, int cbatch_len),(const int *mindx, int *batno, float rbatch[], fpstr cbatch),(const int *mindx, int *batno, float rbatch[], fpstr cbatch, int cbatch_len))

FORTRAN_SUBR (LWBTIT, lwbtit,(const int *mindx, int *batno, fpstr tbatch, int tbatch_len),(const int *mindx, int *batno, fpstr tbatch),(const int *mindx, int *batno, fpstr tbatch, int tbatch_len))

FORTRAN_SUBR (LWBSCL, lwbscl,(const int *mindx, int *batno, float batscl[], int *nbatsc),(const int *mindx, int *batno, float batscl[], int *nbatsc),(const int *mindx, int *batno, float batscl[], int *nbatsc))

FORTRAN_SUBR (LWBSETID, lwbsetid,(const int *mindx, const int *batno, const fpstr project_name, const fpstr dataset_name, int project_name_len, int dataset_name_len),(const int *mindx, const int *batno, const fpstr project_name, const fpstr dataset_name),(const int *mindx, const int *batno, const fpstr project_name, int project_name_len, const fpstr dataset_name, int dataset_name_len))

FORTRAN_SUBR (LWBSETIDX, lwbsetidx,(const int *mindx, const int *batno, const fpstr crystal_name, const fpstr dataset_name, int crystal_name_len, int dataset_name_len),(const int *mindx, const int *batno, const fpstr crystal_name, const fpstr dataset_name),(const int *mindx, const int *batno, const fpstr crystal_name, int crystal_name_len, const fpstr dataset_name, int dataset_name_len))

FORTRAN_SUBR (EQUAL_MAGIC, equal_magic,(const int *mindx, float adata[], const int *ncol),(const int *mindx, float adata[], const int *ncol),(const int *mindx, float adata[], const int *ncol))

FORTRAN_SUBR (SET_MAGIC, set_magic,(const int *mindx, float *val_magic, ftn_logical *setval),(const int *mindx, float *val_magic, ftn_logical *setval),(const int *mindx, float *val_magic, ftn_logical *setval))

FORTRAN_SUBR (RESET_MAGIC, reset_magic,(const int *mindx, const float adata[], float bdata[], const int *ncol, const float *val_magica, const float *val_magicb),(const int *mindx, const float adata[], float bdata[], const int *ncol, const float *val_magica, const float *val_magicb),(const int *mindx, const float adata[], float bdata[], const int *ncol, const float *val_magica, const float *val_magicb))

FORTRAN_SUBR (LWREFL_NOEXIT, lwrefl_noexit,(const int *mindx, const float adata[], int *ifail),(const int *mindx, const float adata[], int *ifail),(const int *mindx, const float adata[], int *ifail))

FORTRAN_SUBR (LWREFL, lwrefl,(const int *mindx, const float adata[]),(const int *mindx, const float adata[]),(const int *mindx, const float adata[]))

FORTRAN_SUBR (LWCLOS_NOEXIT, lwclos_noexit,(const int *mindx, int *iprint, int *ifail),(const int *mindx, int *iprint, int *ifail),(const int *mindx, int *iprint, int *ifail))

FORTRAN_SUBR (LWCLOS, lwclos,(const int *mindx, int *iprint),(const int *mindx, int *iprint),(const int *mindx, int *iprint))

FORTRAN_SUBR (RBATHD, rbathd,(),(),())

FORTRAN_SUBR (WBATHD, wbathd,(),(),())

FORTRAN_SUBR (LRHDRL, lrhdrl,(),(),())

FORTRAN_SUBR (SORTUP, sortup,(),(),())

FORTRAN_SUBR (ADDLIN, addlin,(),(),())

FORTRAN_FUN (int, NEXTLN, nextln,(),(),())

FORTRAN_SUBR (IS_MAGIC, is_magic,(const float *val_magic, const float *valtst, ftn_logical *lvalms),(const float *val_magic, const float *valtst, ftn_logical *lvalms),(const float *val_magic, const float *valtst, ftn_logical *lvalms))

Detailed Description

Fortran API for input, output and manipulation of MTZ files.

Author:: Martyn Winn

Function Documentation

FORTRAN_SUBR ( LWCLOS ,

lwclos ,

(const int *mindx, int *iprint) ,

(const int *mindx, int *iprint) ,

(const int *mindx, int *iprint)

)

Write MTZ file header and close output file. Wrapper for MtzPut.
Parameters:

mindx (I) MTZ file index

iprint (I) Specify whether to write output file header to log.

FORTRAN_SUBR ( LWCLOS_NOEXIT ,

lwclos_noexit ,

(const int *mindx, int *iprint, int *ifail) ,

(const int *mindx, int *iprint, int *ifail) ,

(const int *mindx, int *iprint, int *ifail)

)

Write MTZ file header and close output file. Wrapper for MtzPut.
Parameters:

mindx (I) MTZ file index

iprint (I) Specify whether to write output file header to log.

ifail (O) Returns 0 if successful, non-zero otherwise.

FORTRAN_SUBR ( LWREFL ,

lwrefl ,

(const int *mindx, const float adata[]) ,

(const int *mindx, const float adata[]) ,

(const int *mindx, const float adata[])

)

Write a one array of reflection data to output file. This is a wrapper for ccp4_lwrefl. This routine exits upon failure.
Parameters:

mindx (I) MTZ file index

adata (I) Array of reflection data to write.

FORTRAN_SUBR ( LWREFL_NOEXIT ,

lwrefl_noexit ,

(const int *mindx, const float adata[], int *ifail) ,

(const int *mindx, const float adata[], int *ifail) ,

(const int *mindx, const float adata[], int *ifail)

)

Write a one array of reflection data to output file. This is a wrapper for ccp4_lwrefl.
Parameters:

mindx (I) MTZ file index

adata (I) Array of reflection data to write.

ifail (O) Returns 0 if successful, non-zero otherwise.

FORTRAN_SUBR ( SET_MAGIC ,

set_magic ,

(const int *mindx, float *val_magic, ftn_logical *setval) ,

(const int *mindx, float *val_magic, ftn_logical *setval) ,

(const int *mindx, float *val_magic, ftn_logical *setval)

)

Set or get MNF of file.
Parameters:

mindx MTZ file index

val_magic Value of MNF

setval If true, set the MNF with the value in val_magic. If false, return value of MNF in val_magic. Returned as true, unless there is an error.

FORTRAN_SUBR ( EQUAL_MAGIC ,

equal_magic ,

(const int *mindx, float adata[], const int *ncol) ,

(const int *mindx, float adata[], const int *ncol) ,

(const int *mindx, float adata[], const int *ncol)

)

Set whole array to MNF. The value of the MNF is taken from the MTZ struct on unit mindx.
Parameters:

mindx MTZ file index

adata Array of reflection data to be initialised.

ncol Number of columns in the array to be initialised.

FORTRAN_SUBR ( LWBSETIDX ,

lwbsetidx ,

(const int *mindx, const int *batno, const fpstr crystal_name, const fpstr dataset_name, int crystal_name_len, int dataset_name_len) ,

(const int *mindx, const int *batno, const fpstr crystal_name, const fpstr dataset_name) ,

(const int *mindx, const int *batno, const fpstr crystal_name, int crystal_name_len, const fpstr dataset_name, int dataset_name_len)

)

Assign a batch to a particular dataset, identified by crystal name and dataset name.
Parameters:

mindx MTZ file index

batno Serial number of batch.

crystal_name Crystal Name

dataset_name Dataset Name

FORTRAN_SUBR ( LWBSETID ,

lwbsetid ,

(const int *mindx, const int *batno, const fpstr project_name, const fpstr dataset_name, int project_name_len, int dataset_name_len) ,

(const int *mindx, const int *batno, const fpstr project_name, const fpstr dataset_name) ,

(const int *mindx, const int *batno, const fpstr project_name, int project_name_len, const fpstr dataset_name, int dataset_name_len)

)

Obsolete. Use LWBSETIDX
Parameters:

mindx MTZ file index

batno Serial number of batch.

project_name Project Name

dataset_name Dataset Name

FORTRAN_SUBR ( LWBSCL ,

lwbscl ,

(const int *mindx, int *batno, float batscl[], int *nbatsc) ,

(const int *mindx, int *batno, float batscl[], int *nbatsc) ,

(const int *mindx, int *batno, float batscl[], int *nbatsc)

)

Write batch header for batch number batno. New batch scales are set. batno must correspond to pre-existing batch.
Parameters:

mindx MTZ file index

batno Serial number of batch.

batscl Array of batch scales.

nbatsc Number of batch scales.

FORTRAN_SUBR ( LWBTIT ,

lwbtit ,

(const int *mindx, int *batno, fpstr tbatch, int tbatch_len) ,

(const int *mindx, int *batno, fpstr tbatch) ,

(const int *mindx, int *batno, fpstr tbatch, int tbatch_len)

)

Write batch header for batch number batno. Only the batch title is provided, so dummy header is written.
Parameters:

mindx MTZ file index

batno Serial number of batch.

tbatch Batch title.

FORTRAN_SUBR ( LWBAT ,

lwbat ,

(const int *mindx, int *batno, float rbatch[], fpstr cbatch, int cbatch_len) ,

(const int *mindx, int *batno, float rbatch[], fpstr cbatch) ,

(const int *mindx, int *batno, float rbatch[], fpstr cbatch, int cbatch_len)

)

Write batch header for batch number batno.
Parameters:

mindx MTZ file index

batno Serial number of batch.

rbatch Real/integer batch information.

cbatch Character batch information.

FORTRAN_SUBR ( LWASSN ,

lwassn ,

(const int *mindx, fpstr lsprgo, const int *nlprgo, fpstr ctprgo, int *iappnd, int lsprgo_len, int ctprgo_len) ,

(const int *mindx, fpstr lsprgo, const int *nlprgo, fpstr ctprgo, int *iappnd) ,

(const int *mindx, fpstr lsprgo, int lsprgo_len, const int *nlprgo, fpstr ctprgo, int ctprgo_len, int *iappnd)

)

Fortran wrapper to assign columns of output MTZ file. First this updates labels from user_label_out if set by lkyout, then sets collookup_out array of pointers to columns.
Parameters:

mindx MTZ file index.

lsprgo array of output labels

nlprgo number of output labels

ctprgo array of output column types

iappnd if = 0 replace all existing columns, else if = 1 "append" to existing columns. Note that columns are appended to the relevant datasets and are not therefore necessarily at the end of the list of columns.

FORTRAN_SUBR ( LWSYMM ,

lwsymm ,

(int *mindx, int *nsymx, int *nsympx, float rsymx[MAXSYM][4][4], fpstr ltypex, int *nspgrx, fpstr spgrnx, fpstr pgnamx, int ltypex_len, int spgrnx_len, int pgnamx_len) ,

(int *mindx, int *nsymx, int *nsympx, float rsymx[MAXSYM][4][4], fpstr ltypex, int *nspgrx, fpstr spgrnx, fpstr pgnamx) ,

(int *mindx, int *nsymx, int *nsympx, float rsymx[MAXSYM][4][4], fpstr ltypex, int ltypex_len, int *nspgrx, fpstr spgrnx, int spgrnx_len, fpstr pgnamx, int pgnamx_len)

)

Write or update symmetry information for MTZ header.
Parameters:

mindx (I) MTZ file index.

nsymx (I) number of symmetry operators

nsympx (I) number of primitive symmetry operators

rsymx (I) Array of symmetry operators as 4 x 4 matrices. Each matrix is input with translations in elements [3][*] (i.e. reversed with respect to the way the Fortran application sees it). This function reverses the order before passing to ccp4_lwsymm.

ltypex (I) lattice type

nspgrx (I) spacegroup number

spgrnx (I) spacegroup name

pgnamx (I) point group name

FORTRAN_SUBR ( LWIDALL ,

lwidall ,

(const int *mindx, fpstr xname, fpstr dname, int xname_len, int dname_len) ,

(const int *mindx, fpstr xname, fpstr dname) ,

(const int *mindx, fpstr xname, int xname_len, fpstr dname, int dname_len)

)

Assign output columns to crystal/datasets. This is a simpler version of LWIDASX to assign all columns to one dataset (except for HKL which are assigned to base dataset).
Parameters:

mindx MTZ file index.

xname Crystal name for all columns.

dname Dataset name for all columns.

FORTRAN_SUBR ( LWIDASX ,

lwidasx ,

(const int *mindx, int *nlprgo, fpstr xname, fpstr dname, int *iappnd, int xname_len, int dname_len) ,

(const int *mindx, int *nlprgo, fpstr xname, fpstr dname, int *iappnd) ,

(const int *mindx, int *nlprgo, fpstr xname, int xname_len, fpstr dname, int dname_len, int *iappnd)

)

Assign output columns to crystal/datasets.
Parameters:

mindx MTZ file index.

nlprgo Number of output columns.

xname Array of crystal names for columns.

dname Array of dataset names for columns.

iappnd If 0 then assign all columns, if 1 then assign appended columns.

FORTRAN_SUBR ( LWIDAS ,

lwidas ,

(const int *mindx, int *nlprgo, fpstr pname, fpstr dname, int *iappnd, int pname_len, int dname_len) ,

(const int *mindx, int *nlprgo, fpstr pname, fpstr dname, int *iappnd) ,

(const int *mindx, int *nlprgo, fpstr pname, int pname_len, fpstr dname, int dname_len, int *iappnd)

)

Obsolete - use LWIDASX.
Parameters:

mindx MTZ file index.

nlprgo Number of output columns.

pname Array of project names.

dname Array of dataset names.

iappnd If 0 then assign all columns, if 1 then assign appended columns.

FORTRAN_SUBR ( LWCELL ,

lwcell ,

(const int *mindx, float cell[6]) ,

(const int *mindx, float cell[6]) ,

(const int *mindx, float cell[6])

)

Fortran wrapper to update cell of output MTZ file. Overall cell is obsolete - we only store crystal cell dimensions. Therefore this simply writes the cell dimensions for any crystal which has not yet been set. Crystal cell dimensions should be set directly with lwidc.
Parameters:

mindx MTZ file index.

cell Output cell dimensions.

FORTRAN_SUBR ( LWIDX ,

lwidx ,

(const int *mindx, const fpstr project_name, const fpstr crystal_name, const fpstr dataset_name, float datcell[6], float *datwave, int project_name_len, int crystal_name_len, int dataset_name_len) ,

(const int *mindx, const fpstr project_name, const fpstr crystal_name, const fpstr dataset_name, float datcell[6], float *datwave) ,

(const int *mindx, const fpstr project_name, int project_name_len, const fpstr crystal_name, int crystal_name_len, const fpstr dataset_name, int dataset_name_len, float datcell[6], float *datwave)

)

Fortran wrapper to ccp4_lwidx for writing dataset header information.
Parameters:

mindx MTZ file index.

project_name Name of project that parent crystal belongs to.

crystal_name Name of parent crystal.

dataset_name Name of dataset.

datcell Cell dimensions of parent crystal.

datwave Wavelength of dataset.

FORTRAN_SUBR ( LWIDC ,

lwidc ,

(const int *mindx, const fpstr project_name, const fpstr dataset_name, float datcell[6], float *datwave, int project_name_len, int dataset_name_len) ,

(const int *mindx, const fpstr project_name, const fpstr dataset_name, float datcell[6], float *datwave) ,

(const int *mindx, const fpstr project_name, int project_name_len, const fpstr dataset_name, int dataset_name_len, float datcell[6], float *datwave)

)

Fortran wrapper to ccp4_lwidx for writing dataset header information. As for LWIDX except crystal name is not provided, and defaults to supplied project name. This exists for backwards-compatibility - use LWIDX instead.
Parameters:

mindx MTZ file index.

project_name Name of project that parent crystal belongs to.

dataset_name Name of dataset.

datcell Cell dimensions of parent crystal.

datwave Wavelength of dataset.

FORTRAN_SUBR ( LWID ,

lwid ,

(const int *mindx, const fpstr project_name, const fpstr dataset_name, int project_name_len, int dataset_name_len) ,

(const int *mindx, const fpstr project_name, const fpstr dataset_name) ,

(const int *mindx, const fpstr project_name, int project_name_len, const fpstr dataset_name, int dataset_name_len)

)

Fortran wrapper to ccp4_lwidx for writing dataset header information. As for LWIDX except crystal name is not provided, and defaults to supplied project name. Also cell and wavelength are not provided and default to zero. This exists for backwards-compatibility - use LWIDX instead.
Parameters:

mindx MTZ file index.

project_name Name of project that parent crystal belongs to.

dataset_name Name of dataset.

FORTRAN_SUBR ( LWSORT ,

lwsort ,

(const int *mindx, int sortx[5]) ,

(const int *mindx, int sortx[5]) ,

(const int *mindx, int sortx[5])

)

Set sort order for output file. The integer array is stored as static. Try to set sort order now, but may not be possible if LWCLAB/LWASSN not yet called.
Parameters:

mindx MTZ file index.

sortx Sort order as integer array.

FORTRAN_SUBR ( LWTITL ,

lwtitl ,

(const int *mindx, const fpstr ftitle, const int *flag, int ftitle_len) ,

(const int *mindx, const fpstr ftitle, const int *flag) ,

(const int *mindx, const fpstr ftitle, int ftitle_len, const int *flag)

)

Set title for output file.
Parameters:

mindx MTZ file index.

ftitle Title to be added to output MTZ file.

flag =0 replace old title with new one, or =1 append new one to old, with one space

FORTRAN_SUBR ( LWOPEN ,

lwopen ,

(const int *mindx, fpstr filename, int filename_len) ,

(const int *mindx, fpstr filename) ,

(const int *mindx, fpstr filename, int filename_len)

)

Fortran wrapper to open output MTZ file. In fact, if reflection data is being held in memory, defer opening until MtzPut call. But if reflections are written immediately to file, need to open now.
Parameters:

mindx MTZ file index.

filename Output file name.

FORTRAN_SUBR ( LWOPEN_NOEXIT ,

lwopen_noexit ,

(const int *mindx, fpstr filename, int *ifail, int filename_len) ,

(const int *mindx, fpstr filename, int *ifail) ,

(const int *mindx, fpstr filename, int filename_len, int *ifail)

)

Fortran wrapper to open output MTZ file. In fact, if reflection data is being held in memory, defer opening until MtzPut call. But if reflections are written immediately to file, need to open now.
Parameters:

mindx MTZ file index.

filename Output file name.

ifail (O) Returns 0 if successful, non-zero otherwise.

FORTRAN_SUBR ( LRBAT ,

lrbat ,

(const int *mindx, int *batno, float rbatch[], fpstr cbatch, const int *iprint, int cbatch_len) ,

(const int *mindx, int *batno, float rbatch[], fpstr cbatch, const int *iprint) ,

(const int *mindx, int *batno, float rbatch[], fpstr cbatch, int cbatch_len, const int *iprint)

)

Fortran wrapper for ccp4_lrbat. Returns the header info for the next batch from the multi-record MTZ file open on index MINDX, as the two arrays RBATCH (for numbers) and CBATCH (for characters).
Parameters:

mindx MTZ file index

batno On return, batch number

rbatch On return, real and integer batch data.

cbatch On return, character batch data (title and axes names).

iprint =0 no printing, =1 print title only, >1 print full header.

FORTRAN_SUBR ( LRIDX ,

lridx ,

(const int *mindx, fpstr project_name, fpstr crystal_name, fpstr dataset_name, int *isets, float *datcell, float *datwave, int *ndatasets, int project_name_len, int crystal_name_len, int dataset_name_len) ,

(const int *mindx, fpstr project_name, fpstr crystal_name, fpstr dataset_name, int *isets, float *datcell, float *datwave, int *ndatasets) ,

(const int *mindx, fpstr project_name, int project_name_len, fpstr crystal_name, int crystal_name_len, fpstr dataset_name, int dataset_name_len, int *isets, float *datcell, float *datwave, int *ndatasets)

)

Fortran wrapper for ccp4_lridx. Return dataset information. Note requirement to input how much memory allocated in calling routine.
Parameters:

mindx MTZ file index

project_name

crystal_name

dataset_name

isets

datcell

datwave

ndatasets On input: space reserved for dataset information. On output: number of datasets found.

FORTRAN_SUBR ( LRASSN ,

lrassn ,

(const int *mindx, fpstr lsprgi, int *nlprgi, int lookup[], fpstr ctprgi, int lsprgi_len, int ctprgi_len) ,

(const int *mindx, fpstr lsprgi, int *nlprgi, int lookup[], fpstr ctprgi) ,

(const int *mindx, fpstr lsprgi, int lsprgi_len, int *nlprgi, int lookup[], fpstr ctprgi, int ctprgi_len)

)

Fortran wrapper to ccp4_lrassn. First this updates labels from user_label_in if set by lkyin, then sets collookup array of pointers to columns.
Parameters:

mindx (I) MTZ file index.

lsprgi (I) Array of program column labels. These are the column labels used by the program, as opposed to the column labels in the file.

nlprgi (I) Number of input program labels.

lookup (I/O) On input, indicates whether a column is compulsory or not (-1 = hard compulsory - program will fail if column not found, 1 = soft compulsory - program will attempt to find column even if not assigned on LABIN, 0 = optional). On output, gives the index of the column in the input file.

ctprgi (I) Array of column types.

FORTRAN_SUBR ( LKYIN ,

lkyin ,

(const int *mindx, const fpstr lsprgi, const int *nlprgi, const int *ntok, const fpstr labin_line, const int ibeg[], const int iend[], int lsprgi_len, int labin_line_len) ,

(const int *mindx, const fpstr lsprgi, const int *nlprgi, const int *ntok, const fpstr labin_line, const int ibeg[], const int iend[]) ,

(const int *mindx, const fpstr lsprgi, int lsprgi_len, const int *nlprgi, const int *ntok, const fpstr labin_line, int labin_line_len, const int ibeg[], const int iend[])

)

Fortran wrapper to MtzParseLabin. This matches tokens from the LABIN line against the program labels supplied by the program.
Parameters:

mindx (I) MTZ file index.

lsprgi (I) Array of program column labels. These are the column labels used by the program, as opposed to the column labels in the file.

nlprgi (I) Number of input program labels.

ntok (I) From Parser: number of tokens on line

labin_line (I) From Parser: input line

ibeg (I) From Parser: array of starting delimiters for each token

iend (I) From Parser: array of ending delimiters for each token

FORTRAN_SUBR ( LRSYMM ,

lrsymm ,

(int *mindx, int *nsymx, float rsymx[MAXSYM][4][4]) ,

(int *mindx, int *nsymx, float rsymx[MAXSYM][4][4]) ,

(int *mindx, int *nsymx, float rsymx[MAXSYM][4][4])

)

Get symmetry matrices from MTZ structure.
Parameters:

mindx (I) MTZ file index.

nsymx (O) Number of symmetry operators held in MTZ header.

rsymx (O) Symmetry operators as 4 x 4 matrices, in the order they are held in the MTZ header. Each matrix has translations in elements [3][*]. Note that a Fortran application will reverse the order of indices.

FORTRAN_SUBR ( LRRSOL ,

lrrsol ,

(int *mindx, float *minres, float *maxres) ,

(int *mindx, float *minres, float *maxres) ,

(int *mindx, float *minres, float *maxres)

)

Return the overall resolution limits of the MTZ structure. These are the widest limits over all crystals present.
Parameters:

mindx (I) MTZ file index

minres (O) minimum resolution

maxres (O) maximum resolution

FORTRAN_SUBR ( LRCELL ,

lrcell ,

(int *mindx, float cell[]) ,

(int *mindx, float cell[]) ,

(int *mindx, float cell[])

)

Return the nominal cell dimensions of the MTZ structure. In fact, these are the cell dimensions of the 1st crystal in the MTZ structure. It is better to use the cell dimensions of the correct crystal, as obtained from LRIDX.
Parameters:

mindx (I) MTZ file index

cell (O) Cell dimensions.

FORTRAN_SUBR ( LRBATS ,

lrbats ,

(int *mindx, int *nbatx, int batchx[]) ,

(int *mindx, int *nbatx, int batchx[]) ,

(int *mindx, int *nbatx, int batchx[])

)

Fortran wrapper for ccp4_lrbats. May be called for non-multirecord file, just to check there are no batches.
Parameters:

mindx MTZ file index

nbatx Number of batches found.

batchx Array of batch numbers.

FORTRAN_SUBR ( LRNREF ,

lrnref ,

(int *mindx, int *nreflx) ,

(int *mindx, int *nreflx) ,

(int *mindx, int *nreflx)

)

Returns the current reflection number from an MTZ file opened for read. Files are normally read sequentially, the number returned is the number of the *NEXT* reflection record to be read. If you are going to jump about the file with LRSEEK then use this to record the current position before you start, so that it can be restored afterwards, if required.
Parameters:

mindx MTZ file index

nreflx the reflection record number of the next reflection to be read

FORTRAN_SUBR ( LRNCOL ,

lrncol ,

(int *mindx, int *ncolx) ,

(int *mindx, int *ncolx) ,

(int *mindx, int *ncolx)

)

Fortran wrapper to function returning number of columns read in from input file.
Parameters:

mindx MTZ file index

ncolx Number of columns.

FORTRAN_SUBR ( LRINFO ,

lrinfo ,

(int *mindx, fpstr versnx, int *ncolx, int *nreflx, float *ranges, int versnx_len) ,

(int *mindx, fpstr versnx, int *ncolx, int *nreflx, float *ranges) ,

(int *mindx, fpstr versnx, int versnx_len, int *ncolx, int *nreflx, float *ranges)

)

Fortran wrapper to functions returning number of reflections, columns and ranges. In fact, it returns current values on MINDX rather than those of the input file.
Parameters:

mindx MTZ file index

versnx (O) MTZ version. This is the version of the current library rather than that of the input file. If these differ, a warning will have been issued by LROPEN/MtzGet.

ncolx Number of columns.

nreflx Number of reflections.

ranges Array of column ranges.

FORTRAN_SUBR ( LRHIST ,

lrhist ,

(int *mindx, fpstr hstrng, int *nlines, int hstrng_len) ,

(int *mindx, fpstr hstrng, int *nlines) ,

(int *mindx, fpstr hstrng, int hstrng_len, int *nlines)

)

Get history lines from MTZ file opened for read.
Parameters:

mindx (I) MTZ file index

hstrng (O) Array of history lines.

nlines (I/O) On input, dimension of hstrng, i.e. the maximum number of history lines to be returned. On output, actual number of history lines returned.

FORTRAN_SUBR ( LRTITL ,

lrtitl ,

(int *mindx, fpstr ftitle, int *len, int ftitle_len) ,

(int *mindx, fpstr ftitle, int *len) ,

(int *mindx, fpstr ftitle, int ftitle_len, int *len)

)

Get title from MTZ file opened for read.
Parameters:

mindx (I) MTZ file index

ftitle (O) Title.

len (O) Length of returned title.

FORTRAN_SUBR ( LROPEN ,

lropen ,

(int *mindx, fpstr filename, int *iprint, int *ifail, int filename_len) ,

(int *mindx, fpstr filename, int *iprint, int *ifail) ,

(int *mindx, fpstr filename, int filename_len, int *iprint, int *ifail)

)

Open an MTZ file for reading. This is a wrapper to MtzGet.
Parameters:

mindx (I) MTZ file index

filename (I) Filename to open (real or logical)

iprint (I) Specifies how much header information to print out.

ifail (O) Returns 0 if successful, non-zero otherwise.

FORTRAN_SUBR ( MTZINI ,

mtzini ,

() ,

() ,

()

)

Mainly for backwards compatibility. The only thing it does now is initialise the html/summary stuff, which is usually done by CCPFYP anyway.

Defines
#define	CMTZLIB_DEBUG(x)
#define	MFILES 4
#define	MAXSYM 192
Functions
void	MtzMemTidy (void)
int	MtzCheckSubInput (const int mindx, const char *subname, const int rwmode)
	FORTRAN_SUBR (MTZINI, mtzini,(),(),())
	FORTRAN_SUBR (LROPEN, lropen,(int mindx, fpstr filename, int iprint, int ifail, int filename_len),(int mindx, fpstr filename, int iprint, int ifail),(int mindx, fpstr filename, int filename_len, int iprint, int *ifail))
	FORTRAN_SUBR (LRTITL, lrtitl,(int mindx, fpstr ftitle, int len, int ftitle_len),(int mindx, fpstr ftitle, int len),(int mindx, fpstr ftitle, int ftitle_len, int len))
	FORTRAN_SUBR (LRHIST, lrhist,(int mindx, fpstr hstrng, int nlines, int hstrng_len),(int mindx, fpstr hstrng, int nlines),(int mindx, fpstr hstrng, int hstrng_len, int nlines))
	FORTRAN_SUBR (LRINFO, lrinfo,(int mindx, fpstr versnx, int ncolx, int nreflx, float ranges, int versnx_len),(int mindx, fpstr versnx, int ncolx, int nreflx, float ranges),(int mindx, fpstr versnx, int versnx_len, int ncolx, int nreflx, float ranges))
	FORTRAN_SUBR (LRNCOL, lrncol,(int mindx, int ncolx),(int mindx, int ncolx),(int mindx, int ncolx))
	FORTRAN_SUBR (LRNREF, lrnref,(int mindx, int nreflx),(int mindx, int nreflx),(int mindx, int nreflx))
	FORTRAN_SUBR (LRSORT, lrsort,(int mindx, int sortx[5]),(int mindx, int sortx[5]),(int *mindx, int sortx[5]))
	FORTRAN_SUBR (LRBATS, lrbats,(int mindx, int nbatx, int batchx[]),(int mindx, int nbatx, int batchx[]),(int mindx, int nbatx, int batchx[]))
	FORTRAN_SUBR (LRCLAB, lrclab,(int mindx, fpstr clabs, fpstr ctyps, int ncol, int clabs_len, int ctyps_len),(int mindx, fpstr clabs, fpstr ctyps, int ncol),(int mindx, fpstr clabs, int clabs_len, fpstr ctyps, int ctyps_len, int ncol))
	FORTRAN_SUBR (LRCLID, lrclid,(int mindx, int csetid[], int ncol),(int mindx, int csetid[], int ncol),(int mindx, int csetid[], int ncol))
	FORTRAN_SUBR (LRCELL, lrcell,(int mindx, float cell[]),(int mindx, float cell[]),(int *mindx, float cell[]))
	FORTRAN_SUBR (LRRSOL, lrrsol,(int mindx, float minres, float maxres),(int mindx, float minres, float maxres),(int mindx, float minres, float *maxres))
	FORTRAN_SUBR (LRSYMI, lrsymi,(int mindx, int nsympx, fpstr ltypex, int nspgrx, fpstr spgrnx, fpstr pgnamx, int ltypex_len, int spgrnx_len, int pgnamx_len),(int mindx, int nsympx, fpstr ltypex, int nspgrx, fpstr spgrnx, fpstr pgnamx),(int mindx, int nsympx, fpstr ltypex, int ltypex_len, int *nspgrx, fpstr spgrnx, int spgrnx_len, fpstr pgnamx, int pgnamx_len))
	FORTRAN_SUBR (LRSYMM, lrsymm,(int mindx, int nsymx, float rsymx[MAXSYM][4][4]),(int mindx, int nsymx, float rsymx[MAXSYM][4][4]),(int mindx, int nsymx, float rsymx[MAXSYM][4][4]))
	FORTRAN_SUBR (LKYIN, lkyin,(const int mindx, const fpstr lsprgi, const int nlprgi, const int ntok, const fpstr labin_line, const int ibeg[], const int iend[], int lsprgi_len, int labin_line_len),(const int mindx, const fpstr lsprgi, const int nlprgi, const int ntok, const fpstr labin_line, const int ibeg[], const int iend[]),(const int mindx, const fpstr lsprgi, int lsprgi_len, const int nlprgi, const int *ntok, const fpstr labin_line, int labin_line_len, const int ibeg[], const int iend[]))
	FORTRAN_SUBR (LKYOUT, lkyout,(const int mindx, const fpstr lsprgo, const int nlprgo, const int ntok, const fpstr labin_line, const int ibeg[], const int iend[], int lsprgo_len, int labin_line_len),(const int mindx, const fpstr lsprgo, const int nlprgo, const int ntok, const fpstr labin_line, const int ibeg[], const int iend[]),(const int mindx, const fpstr lsprgo, int lsprgo_len, const int nlprgo, const int *ntok, const fpstr labin_line, int labin_line_len, const int ibeg[], const int iend[]))
	FORTRAN_SUBR (LKYSET, lkyset,(const fpstr lsprgi, const int nlprgi, fpstr lsusrj, int kpoint[], const int itok, const int ntok, const fpstr labin_line, const int ibeg[], const int iend[], int lsprgi_len, int lsusrj_len, int labin_line_len),(const fpstr lsprgi, const int nlprgi, fpstr lsusrj, int kpoint[], const int itok, const int ntok, const fpstr labin_line, const int ibeg[], const int iend[]),(const fpstr lsprgi, int lsprgi_len, const int nlprgi, fpstr lsusrj, int lsusrj_len, int kpoint[], const int itok, const int *ntok, const fpstr labin_line, int labin_line_len, const int ibeg[], const int iend[]))
	FORTRAN_SUBR (LRASSN, lrassn,(const int mindx, fpstr lsprgi, int nlprgi, int lookup[], fpstr ctprgi, int lsprgi_len, int ctprgi_len),(const int mindx, fpstr lsprgi, int nlprgi, int lookup[], fpstr ctprgi),(const int mindx, fpstr lsprgi, int lsprgi_len, int nlprgi, int lookup[], fpstr ctprgi, int ctprgi_len))
	FORTRAN_SUBR (LRIDX, lridx,(const int mindx, fpstr project_name, fpstr crystal_name, fpstr dataset_name, int isets, float datcell, float datwave, int ndatasets, int project_name_len, int crystal_name_len, int dataset_name_len),(const int mindx, fpstr project_name, fpstr crystal_name, fpstr dataset_name, int isets, float datcell, float datwave, int ndatasets),(const int mindx, fpstr project_name, int project_name_len, fpstr crystal_name, int crystal_name_len, fpstr dataset_name, int dataset_name_len, int isets, float datcell, float datwave, int *ndatasets))
	FORTRAN_SUBR (LRCELX, lrcelx,(const int mindx, const int iset, float mtzcell),(const int mindx, const int iset, float mtzcell),(const int mindx, const int iset, float *mtzcell))
	FORTRAN_SUBR (LRIDC, lridc,(const int mindx, fpstr project_name, fpstr dataset_name, int isets, float datcell, float datwave, int ndatasets, int project_name_len, int dataset_name_len),(const int mindx, fpstr project_name, fpstr dataset_name, int isets, float datcell, float datwave, int ndatasets),(const int mindx, fpstr project_name, int project_name_len, fpstr dataset_name, int dataset_name_len, int isets, float datcell, float datwave, int *ndatasets))
	FORTRAN_SUBR (LRID, lrid,(const int mindx, fpstr project_name, fpstr dataset_name, int isets, int ndatasets, int project_name_len, int dataset_name_len),(const int mindx, fpstr project_name, fpstr dataset_name, int isets, int ndatasets),(const int mindx, fpstr project_name, int project_name_len, fpstr dataset_name, int dataset_name_len, int isets, int *ndatasets))
	FORTRAN_SUBR (LRSEEK, lrseek,(const int mindx, int nrefl),(const int mindx, int nrefl),(const int mindx, int nrefl))
	FORTRAN_SUBR (LRREFL, lrrefl,(const int mindx, float resol, float adata[], ftn_logical eof),(const int mindx, float resol, float adata[], ftn_logical eof),(const int mindx, float resol, float adata[], ftn_logical *eof))
	FORTRAN_SUBR (LRREFM, lrrefm,(const int mindx, ftn_logical logmiss[]),(const int mindx, ftn_logical logmiss[]),(const int *mindx, ftn_logical logmiss[]))
	FORTRAN_SUBR (MTZ_CHECK_FOR_MNF, mtz_check_for_mnf,(const int mindx, const int ndata, float adata[], ftn_logical logmiss[]),(const int mindx, const int ndata, float adata[], ftn_logical logmiss[]),(const int mindx, const int ndata, float adata[], ftn_logical logmiss[]))
	FORTRAN_SUBR (LHPRT, lhprt,(const int mindx, const int iprint),(const int mindx, const int iprint),(const int mindx, const int iprint))
	FORTRAN_SUBR (LRBAT, lrbat,(const int mindx, int batno, float rbatch[], fpstr cbatch, const int iprint, int cbatch_len),(const int mindx, int batno, float rbatch[], fpstr cbatch, const int iprint),(const int mindx, int batno, float rbatch[], fpstr cbatch, int cbatch_len, const int *iprint))
	FORTRAN_SUBR (LBPRT, lbprt,(const int ibatch, const int iprint, float rbatch[], fpstr cbatch, int cbatch_len),(const int ibatch, const int iprint, float rbatch[], fpstr cbatch),(const int ibatch, const int iprint, float rbatch[], fpstr cbatch, int cbatch_len))
	FORTRAN_SUBR (LRBRES, lrbres,(const int mindx, const int batno),(const int mindx, const int batno),(const int mindx, const int batno))
	FORTRAN_SUBR (LRBTIT, lrbtit,(const int mindx, const int batno, fpstr tbatch, const int iprint, int tbatch_len),(const int mindx, const int batno, fpstr tbatch, const int iprint),(const int mindx, const int batno, fpstr tbatch, int tbatch_len, const int *iprint))
	FORTRAN_SUBR (LRBSCL, lrbscl,(const int mindx, const int batno, float batscl[], int nbatsc),(const int mindx, const int batno, float batscl[], int nbatsc),(const int mindx, const int batno, float batscl[], int *nbatsc))
	FORTRAN_SUBR (LRBSETID, lrbsetid,(const int mindx, const int batno, int bsetid),(const int mindx, const int batno, int bsetid),(const int mindx, const int batno, int *bsetid))
	FORTRAN_SUBR (LRREWD, lrrewd,(const int mindx),(const int mindx),(const int *mindx))
	FORTRAN_SUBR (LSTRSL, lstrsl,(const int mindx, const float a, const float b, const float c, const float alpha, const float beta, const float gamma),(const int mindx, const float a, const float b, const float c, const float alpha, const float beta, const float gamma),(const int mindx, const float a, const float b, const float c, const float alpha, const float beta, const float *gamma))
	FORTRAN_SUBR (LSTLSQ1, lstlsq1,(float reso, const int mindx, const int ih, const int ik, const int il),(float reso, const int mindx, const int ih, const int ik, const int il),(float reso, const int mindx, const int ih, const int ik, const int *il))
	FORTRAN_SUBR (LWOPEN_NOEXIT, lwopen_noexit,(const int mindx, fpstr filename, int ifail, int filename_len),(const int mindx, fpstr filename, int ifail),(const int mindx, fpstr filename, int filename_len, int ifail))
	FORTRAN_SUBR (LWOPEN, lwopen,(const int mindx, fpstr filename, int filename_len),(const int mindx, fpstr filename),(const int *mindx, fpstr filename, int filename_len))
	FORTRAN_SUBR (LWTITL, lwtitl,(const int mindx, const fpstr ftitle, const int flag, int ftitle_len),(const int mindx, const fpstr ftitle, const int flag),(const int mindx, const fpstr ftitle, int ftitle_len, const int flag))
	FORTRAN_SUBR (LWSORT, lwsort,(const int mindx, int sortx[5]),(const int mindx, int sortx[5]),(const int *mindx, int sortx[5]))
	FORTRAN_SUBR (LWHSTL, lwhstl,(int mindx, const fpstr hstrng, int hstrng_len),(int mindx, const fpstr hstrng),(int *mindx, const fpstr hstrng, int hstrng_len))
	FORTRAN_SUBR (LWID, lwid,(const int mindx, const fpstr project_name, const fpstr dataset_name, int project_name_len, int dataset_name_len),(const int mindx, const fpstr project_name, const fpstr dataset_name),(const int *mindx, const fpstr project_name, int project_name_len, const fpstr dataset_name, int dataset_name_len))
	FORTRAN_SUBR (LWIDC, lwidc,(const int mindx, const fpstr project_name, const fpstr dataset_name, float datcell[6], float datwave, int project_name_len, int dataset_name_len),(const int mindx, const fpstr project_name, const fpstr dataset_name, float datcell[6], float datwave),(const int mindx, const fpstr project_name, int project_name_len, const fpstr dataset_name, int dataset_name_len, float datcell[6], float datwave))
	FORTRAN_SUBR (LWIDX, lwidx,(const int mindx, const fpstr project_name, const fpstr crystal_name, const fpstr dataset_name, float datcell[6], float datwave, int project_name_len, int crystal_name_len, int dataset_name_len),(const int mindx, const fpstr project_name, const fpstr crystal_name, const fpstr dataset_name, float datcell[6], float datwave),(const int mindx, const fpstr project_name, int project_name_len, const fpstr crystal_name, int crystal_name_len, const fpstr dataset_name, int dataset_name_len, float datcell[6], float datwave))
	FORTRAN_SUBR (LWCELL, lwcell,(const int mindx, float cell[6]),(const int mindx, float cell[6]),(const int *mindx, float cell[6]))
	FORTRAN_SUBR (LWIDAS, lwidas,(const int mindx, int nlprgo, fpstr pname, fpstr dname, int iappnd, int pname_len, int dname_len),(const int mindx, int nlprgo, fpstr pname, fpstr dname, int iappnd),(const int mindx, int nlprgo, fpstr pname, int pname_len, fpstr dname, int dname_len, int *iappnd))
	FORTRAN_SUBR (LWIDASX, lwidasx,(const int mindx, int nlprgo, fpstr xname, fpstr dname, int iappnd, int xname_len, int dname_len),(const int mindx, int nlprgo, fpstr xname, fpstr dname, int iappnd),(const int mindx, int nlprgo, fpstr xname, int xname_len, fpstr dname, int dname_len, int *iappnd))
	FORTRAN_SUBR (LWIDALL, lwidall,(const int mindx, fpstr xname, fpstr dname, int xname_len, int dname_len),(const int mindx, fpstr xname, fpstr dname),(const int *mindx, fpstr xname, int xname_len, fpstr dname, int dname_len))
	FORTRAN_SUBR (LWSYMM, lwsymm,(int mindx, int nsymx, int nsympx, float rsymx[MAXSYM][4][4], fpstr ltypex, int nspgrx, fpstr spgrnx, fpstr pgnamx, int ltypex_len, int spgrnx_len, int pgnamx_len),(int mindx, int nsymx, int nsympx, float rsymx[MAXSYM][4][4], fpstr ltypex, int nspgrx, fpstr spgrnx, fpstr pgnamx),(int mindx, int nsymx, int nsympx, float rsymx[MAXSYM][4][4], fpstr ltypex, int ltypex_len, int nspgrx, fpstr spgrnx, int spgrnx_len, fpstr pgnamx, int pgnamx_len))
	FORTRAN_SUBR (LWASSN, lwassn,(const int mindx, fpstr lsprgo, const int nlprgo, fpstr ctprgo, int iappnd, int lsprgo_len, int ctprgo_len),(const int mindx, fpstr lsprgo, const int nlprgo, fpstr ctprgo, int iappnd),(const int mindx, fpstr lsprgo, int lsprgo_len, const int nlprgo, fpstr ctprgo, int ctprgo_len, int *iappnd))
	FORTRAN_SUBR (LWBAT, lwbat,(const int mindx, int batno, float rbatch[], fpstr cbatch, int cbatch_len),(const int mindx, int batno, float rbatch[], fpstr cbatch),(const int mindx, int batno, float rbatch[], fpstr cbatch, int cbatch_len))
	FORTRAN_SUBR (LWBTIT, lwbtit,(const int mindx, int batno, fpstr tbatch, int tbatch_len),(const int mindx, int batno, fpstr tbatch),(const int mindx, int batno, fpstr tbatch, int tbatch_len))
	FORTRAN_SUBR (LWBSCL, lwbscl,(const int mindx, int batno, float batscl[], int nbatsc),(const int mindx, int batno, float batscl[], int nbatsc),(const int mindx, int batno, float batscl[], int *nbatsc))
	FORTRAN_SUBR (LWBSETID, lwbsetid,(const int mindx, const int batno, const fpstr project_name, const fpstr dataset_name, int project_name_len, int dataset_name_len),(const int mindx, const int batno, const fpstr project_name, const fpstr dataset_name),(const int mindx, const int batno, const fpstr project_name, int project_name_len, const fpstr dataset_name, int dataset_name_len))
	FORTRAN_SUBR (LWBSETIDX, lwbsetidx,(const int mindx, const int batno, const fpstr crystal_name, const fpstr dataset_name, int crystal_name_len, int dataset_name_len),(const int mindx, const int batno, const fpstr crystal_name, const fpstr dataset_name),(const int mindx, const int batno, const fpstr crystal_name, int crystal_name_len, const fpstr dataset_name, int dataset_name_len))
	FORTRAN_SUBR (EQUAL_MAGIC, equal_magic,(const int mindx, float adata[], const int ncol),(const int mindx, float adata[], const int ncol),(const int mindx, float adata[], const int ncol))
	FORTRAN_SUBR (SET_MAGIC, set_magic,(const int mindx, float val_magic, ftn_logical setval),(const int mindx, float val_magic, ftn_logical setval),(const int mindx, float val_magic, ftn_logical *setval))
	FORTRAN_SUBR (RESET_MAGIC, reset_magic,(const int mindx, const float adata[], float bdata[], const int ncol, const float val_magica, const float val_magicb),(const int mindx, const float adata[], float bdata[], const int ncol, const float val_magica, const float val_magicb),(const int mindx, const float adata[], float bdata[], const int ncol, const float val_magica, const float val_magicb))
	FORTRAN_SUBR (LWREFL_NOEXIT, lwrefl_noexit,(const int mindx, const float adata[], int ifail),(const int mindx, const float adata[], int ifail),(const int mindx, const float adata[], int ifail))
	FORTRAN_SUBR (LWREFL, lwrefl,(const int mindx, const float adata[]),(const int mindx, const float adata[]),(const int *mindx, const float adata[]))
	FORTRAN_SUBR (LWCLOS_NOEXIT, lwclos_noexit,(const int mindx, int iprint, int ifail),(const int mindx, int iprint, int ifail),(const int mindx, int iprint, int *ifail))
	FORTRAN_SUBR (LWCLOS, lwclos,(const int mindx, int iprint),(const int mindx, int iprint),(const int mindx, int iprint))
	FORTRAN_SUBR (RBATHD, rbathd,(),(),())
	FORTRAN_SUBR (WBATHD, wbathd,(),(),())
	FORTRAN_SUBR (LRHDRL, lrhdrl,(),(),())
	FORTRAN_SUBR (SORTUP, sortup,(),(),())
	FORTRAN_SUBR (ADDLIN, addlin,(),(),())
	FORTRAN_FUN (int, NEXTLN, nextln,(),(),())
	FORTRAN_SUBR (IS_MAGIC, is_magic,(const float val_magic, const float valtst, ftn_logical lvalms),(const float val_magic, const float valtst, ftn_logical lvalms),(const float val_magic, const float valtst, ftn_logical *lvalms))