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cmaplib_f.c File Reference

Fortran API for input, output and manipulation of CCP4 map files. More...

#include <string.h>
#include <stdio.h>
#include <fcntl.h>
#include "cmaplib_f.h"
#include "cmap_errno.h"
#include "ccp4_fortran.h"
#include "ccp4_parser.h"
#include "csymlib.h"
#include "ccp4_general.h"

Functions

FORTRAN_SUBR (MWRHDL, mwrhdl,(int *iunit, const fpstr mapnam, const fpstr title, int *nsecs, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, int mapnam_len, int title_len),(int *iunit, const fpstr mapnam, const fpstr title, int *nsecs, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode),(int *iunit, const fpstr mapnam, int mapnam_len, const fpstr title, int title_len, int *nsecs, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode))

FORTRAN_SUBR (CCP4_MAP_WRITE_OPEN_HEADER_BY_NAME, ccp4_map_write_open_header_by_name,(int *iunit, const fpstr mapnam, const fpstr title, int *nsecs, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, int mapnam_len, int title_len),(int *iunit, const fpstr mapnam, const fpstr title, int *nsecs, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode),(int *iunit, const fpstr mapnam, int mapnam_len, const fpstr title, int title_len, int *nsecs, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode))

FORTRAN_SUBR (MWRHDR, mwrhdr,(int *iunit, const fpstr title, int *nsecs, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, int title_len),(int *iunit, const fpstr title, int *nsecs, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode),(int *iunit, const fpstr title, int title_len, int *nsecs, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode))

FORTRAN_SUBR (CCP4_MAP_WRITE_OPEN_HEADER_BY_ID, ccp4_map_write_open_header_by_id,(int *iunit, const fpstr title, int *nsecs, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, int title_len),(int *iunit, const fpstr title, int *nsecs, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode),(int *iunit, const fpstr title, int title_len, int *nsecs, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode))

FORTRAN_SUBR (MRDHDS, mrdhds,(int *iunit, const fpstr mapnam, fpstr title, int *nsec, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, float *rhmin, float *rhmax, float *rhmean, float *rhrms, int *ifail, int *iprint, int mapnam_len, int title_len),(int *iunit, const fpstr mapnam, fpstr title, int *nsec, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, float *rhmin, float *rhmax, float *rhmean, float *rhrms, int *ifail, int *iprint),(int *iunit, const fpstr mapnam, int mapnam_len, fpstr title, int title_len, int *nsec, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, float *rhmin, float *rhmax, float *rhmean, float *rhrms, int *ifail, int *iprint))

FORTRAN_SUBR (CCP4_MAP_READ_OPEN_HEADER_CHECK, ccp4_map_read_open_header_check,(int *iunit, const fpstr mapnam, fpstr title, int *nsec, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, float *rhmin, float *rhmax, float *rhmean, float *rhrms, int *ifail, int *iprint, int mapnam_len, int title_len),(int *iunit, const fpstr mapnam, fpstr title, int *nsec, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, float *rhmin, float *rhmax, float *rhmean, float *rhrms, int *ifail, int *iprint),(int *iunit, const fpstr mapnam, int mapnam_len, fpstr title, int title_len, int *nsec, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, float *rhmin, float *rhmax, float *rhmean, float *rhrms, int *ifail, int *iprint))

FORTRAN_SUBR (MRDHDR, mrdhdr,(int *iunit, const fpstr mapnam, fpstr title, int *nsec, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, float *rhmin, float *rhmax, float *rhmean, float *rhrms, int mapnam_len, int title_len),(int *iunit, const fpstr mapnam, fpstr title, int *nsec, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, float *rhmin, float *rhmax, float *rhmean, float *rhrms),(int *iunit, const fpstr mapnam, int mapnam_len, fpstr title, int title_len, int *nsec, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, float *rhmin, float *rhmax, float *rhmean, float *rhrms))

FORTRAN_SUBR (CCP4_MAP_READ_OPEN_HEADER, ccp4_map_read_open_header,(int *iunit, const fpstr mapnam, fpstr title, int *nsec, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, float *rhmin, float *rhmax, float *rhmean, float *rhrms, int mapnam_len, int title_len),(int *iunit, const fpstr mapnam, fpstr title, int *nsec, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, float *rhmin, float *rhmax, float *rhmean, float *rhrms),(int *iunit, const fpstr mapnam, int mapnam_len, fpstr title, int title_len, int *nsec, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, float *rhmin, float *rhmax, float *rhmean, float *rhrms))

FORTRAN_SUBR (MWCLOSE, mwclose,(int *iunit),(int *iunit),(int *iunit))

FORTRAN_SUBR (CCP4_MAP_WRITE_CLOSE_AUTO, ccp4_map_write_close_auto,(int *iunit),(int *iunit),(int *iunit))

FORTRAN_SUBR (MCLOSE, mclose,(int *iunit, float *min, float *max, float *mean, float *rms),(int *iunit, float *min, float *max, float *mean, float *rms),(int *iunit, float *min, float *max, float *mean, float *rms))

FORTRAN_SUBR (CCP4_MAP_WRITE_CLOSE_USER_SUM, ccp4_map_write_close_user_sum,(int *iunit, float *min, float *max, float *mean, float *rms),(int *iunit, float *min, float *max, float *mean, float *rms),(int *iunit, float *min, float *max, float *mean, float *rms))

FORTRAN_SUBR (MSYWRT, msywrt,(int *iunit, int *nsym, float *rot),(int *iunit, int *nsym, float *rot),(int *iunit, int *nsym, float *rot))

FORTRAN_SUBR (CCP4_MAP_WRITE_SYMM_MATRIX, ccp4_map_write_symm_matrix,(int *iunit, int *nsym, float *rot),(int *iunit, int *nsym, float *rot),(int *iunit, int *nsym, float *rot))

FORTRAN_SUBR (MSYPUT, msyput,(int *sunit, int *spacegroup, int *iunit),(int *sunit, int *spacegroup, int *iunit),(int *sunit, int *spacegroup, int *iunit))

FORTRAN_SUBR (CCP4_MAP_WRITE_SPGNAME, ccp4_map_write_spgname,(int *sunit, int *spacegroup, int *iunit),(int *sunit, int *spacegroup, int *iunit),(int *sunit, int *spacegroup, int *iunit))

FORTRAN_SUBR (MSPEW, mspew,(int *iunit, float *section),(int *iunit, float *section),(int *iunit, float *section))

FORTRAN_SUBR (CCP4_MAP_WRITE_ALL_SECTION, ccp4_map_write_all_section,(int *iunit, float *section),(int *iunit, float *section),(int *iunit, float *section))

FORTRAN_SUBR (MGULP, mgulp,(int *iunit, float *section, int *ier),(int *iunit, float *section, int *ier),(int *iunit, float *section, int *ier))

FORTRAN_SUBR (CCP4_MAP_READ_WHOLE_SECTION_AS_MODE, ccp4_map_read_whole_section_as_mode,(int *iunit, float *section, int *ier),(int *iunit, float *section, int *ier),(int *iunit, float *section, int *ier))

FORTRAN_SUBR (MWRSEC, mwrsec,(int *iunit, float *section, int *mu, int *mv, int *iu1, int *iu2, int *iv1, int *iv2),(int *iunit, float *section, int *mu, int *mv, int *iu1, int *iu2, int *iv1, int *iv2),(int *iunit, float *section, int *mu, int *mv, int *iu1, int *iu2, int *iv1, int *iv2))

FORTRAN_SUBR (CCP4_MAP_WRITE_PART_SECTION, ccp4_map_write_part_section,(int *iunit, float *section, int *mu, int *mv, int *iu1, int *iu2, int *iv1, int *iv2),(int *iunit, float *section, int *mu, int *mv, int *iu1, int *iu2, int *iv1, int *iv2),(int *iunit, float *section, int *mu, int *mv, int *iu1, int *iu2, int *iv1, int *iv2))

FORTRAN_SUBR (MRDLIN, mrdlin,(int *iunit, float *line, int *ier),(int *iunit, float *line, int *ier),(int *iunit, float *line, int *ier))

FORTRAN_SUBR (CCP4_MAP_READ_LINE_AS_MODE, ccp4_map_read_line_as_mode,(int *iunit, float *line, int *ier),(int *iunit, float *line, int *ier),(int *iunit, float *line, int *ier))

FORTRAN_SUBR (MPOSN, mposn,(int *iunit, int *sec),(int *iunit, int *sec),(int *iunit, int *sec))

FORTRAN_SUBR (CCP4_MAP_READ_POSITION_SELECTION, ccp4_map_read_position_selection,(int *iunit, int *sec),(int *iunit, int *sec),(int *iunit, int *sec))

FORTRAN_SUBR (MSYCPY, msycpy,(int *iunit, int *ounit),(int *iunit, int *ounit),(int *iunit, int *ounit))

FORTRAN_SUBR (CCP4_MAP_COPY_SYMMETRY, ccp4_map_copy_symmetry,(int *iunit, int *ounit),(int *iunit, int *ounit),(int *iunit, int *ounit))

FORTRAN_SUBR (MTTREP, mttrep,(const fpstr label, int *posn, int label_len),(const fpstr label, int *posn),(const fpstr label, int label_len, int *posn))

FORTRAN_SUBR (CCP4_MAP_WRITE_REPLACE_TITLE, ccp4_map_write_replace_title,(const fpstr label, int *posn, int label_len),(const fpstr label, int *posn),(const fpstr label, int label_len, int *posn))

FORTRAN_SUBR (MTTCPY, mttcpy,(const fpstr label, int label_len),(const fpstr label),(const fpstr label, int label_len))

FORTRAN_SUBR (CCP4_MAP_COPY_TITLE, ccp4_map_copy_title,(const fpstr label, int label_len),(const fpstr label),(const fpstr label, int label_len))

FORTRAN_SUBR (MSKPUT, mskput,(float *skew_rot, float *skew_trans),(float *skew_rot, float *skew_trans),(float *skew_rot, float *skew_trans))

FORTRAN_SUBR (CCP4_MAP_WRITE_SKEW_INFO, ccp4_map_write_skew_info,(float *skew_rot, float *skew_trans),(float *skew_rot, float *skew_trans),(float *skew_rot, float *skew_trans))

FORTRAN_FUN (int, MSKGET, mskget,(float *mask_rot, float *mask_trans),(float *mask_rot, float *mask_trans),(float *mask_rot, float *mask_trans))

FORTRAN_SUBR (CCP4_MAP_WRITE_SECTION_HEADER, ccp4_map_write_section_header,(int *iunit, float *section, const fpstr local_hdr, int local_hdr_len),(int *iunit, float *section, const fpstr local_hdr),(int *iunit, float *section, const fpstr local_hdr, int local_hdr_len))

FORTRAN_SUBR (CCP4_MAP_READ_SECTION_HEADER, ccp4_map_read_section_header,(int *iunit, float *section, const fpstr local_hdr, int *ier, int local_hdr_len),(int *iunit, float *section, const fpstr local_hdr, int *ier),(int *iunit, float *section, const fpstr local_hdr, int local_hdr_len, int *ier))

FORTRAN_SUBR (CCP4_MAP_SET_LOCAL_HEADER, ccp4_map_set_local_header,(int *iunit, int *size),(int *iunit, int *size),(int *iunit, int *size))

FORTRAN_SUBR (MWFNAM, mwfnam,(fpstr logname, int logname_len),(fpstr logname),(fpstr logname, int logname_len))

FORTRAN_SUBR (CCP4_MAP_GET_LAST_WRITE_FILENAME, ccp4_map_get_last_write_filename,(fpstr logname, int logname_len),(fpstr logname),(fpstr logname, int logname_len))

FORTRAN_SUBR (MSTMST, mstmst,(int *map),(int *map),(int *map))

FORTRAN_SUBR (MODECV, modecv,(float *output, float *input, int *number, int *mode),(float *output, float *input, int *number, int *mode),(float *output, float *input, int *number, int *mode))

FORTRAN_SUBR (CCP4_MAP_MODE_TO_REAL, ccp4_map_mode_to_real,(float *output, float *input, int *number, int *mode),(float *output, float *input, int *number, int *mode),(float *output, float *input, int *number, int *mode))

FORTRAN_FUN (int, NBYTXX, nbytxx,(int *nwords),(int *nwords),(int *nwords))

Detailed Description

Fortran API for input, output and manipulation of CCP4 map files.

Author:: Charles Ballard

Function Documentation

FORTRAN_FUN ( int ,

MSKGET ,

mskget ,

(float *mask_rot, float *mask_trans) ,

(float *mask_rot, float *mask_trans) ,

(float *mask_rot, float *mask_trans)

)

mskget: @skew_rot: (I) skew rotation matrix S[3][3]; S11, S12, etc @skew_trans (I) skew translation vector T[3] returns: value of skew_flag.
description: Get skew translation from input header struct. Skew transformation form orthogonal atom fram to orthogonal map frame: Xo(map) = S*(Xo(atoms)-T)

FORTRAN_SUBR ( MODECV ,

modecv ,

(float *output, float *input, int *number, int *mode) ,

(float *output, float *input, int *number, int *mode) ,

(float *output, float *input, int *number, int *mode)

)

modecv: @output: (O) output array contain translated reals @input: (I) pre-translation array (read from file) @number: (I) number of elements to be translated @mode: (I) storage mode, = 0 FORTRAN character (uint8) = 1 FORTRAN I*2 (uint16) = 3 complex short = 4 complex real (uint32)
description: Convert @number items form @input (mode @mode) to float in @output.

FORTRAN_SUBR ( MSTMST ,

mstmst ,

(int *map) ,

(int *map) ,

(int *map)

)

mstmst: @map: (O) "MAP "
description: Set integer MAP to string "MAP "

FORTRAN_SUBR ( MWFNAM ,

mwfnam ,

(fpstr logname, int logname_len) ,

(fpstr logname) ,

(fpstr logname, int logname_len)

)

mwfnam: @logname: (O) logical name of last open file
description: Returns the logical name for the last written to file

FORTRAN_SUBR ( CCP4_MAP_READ_SECTION_HEADER ,

ccp4_map_read_section_header ,

(int *iunit, float *section, const fpstr local_hdr, int *ier, int local_hdr_len) ,

(int *iunit, float *section, const fpstr local_hdr, int *ier) ,

(int *iunit, float *section, const fpstr local_hdr, int local_hdr_len, int *ier)

)

ccp4_map_read_section_header: @iunit: (I) map stream number @section: (O) array containing section of map data read from file @local_hdr: (O) local header information as CHAR array @ier: (O) error code =0, OK =non-zero, error or end-of-file
description: Read next whole map section from stream @iunit to array @section. @section is returned in the same mode as in the file, no data conversion is performed.

FORTRAN_SUBR ( CCP4_MAP_WRITE_SECTION_HEADER ,

ccp4_map_write_section_header ,

(int *iunit, float *section, const fpstr local_hdr, int local_hdr_len) ,

(int *iunit, float *section, const fpstr local_hdr) ,

(int *iunit, float *section, const fpstr local_hdr, int local_hdr_len)

)

ccp4_map_write_section_header: @iunit: (I) stream number @section: (I) array holding the map section. @local_hdr: (I) local header information
description: Write whole map section to stream @iunit. This routine is only suitable if the whole map section is to be written.

FORTRAN_SUBR ( MSKPUT ,

mskput ,

(float *skew_rot, float *skew_trans) ,

(float *skew_rot, float *skew_trans) ,

(float *skew_rot, float *skew_trans)

)

mskput: @skew_rot: (I) skew rotation matrix S[3][3];S11, S12, etc @skew_trans (I) skew translation vector T[3]
description: Put skew transformation in header struct of current output mapfile. Note: Phil Evans (9/93), should probably not use this routine.

FORTRAN_SUBR ( MTTCPY ,

mttcpy ,

(const fpstr label, int label_len) ,

(const fpstr label) ,

(const fpstr label, int label_len)

)

mttcpy: @label: (I) new label
description: Copy all labels from the current input map to the header (struct) of the current output mapfile, adding @label to the end.

FORTRAN_SUBR ( MTTREP ,

mttrep ,

(const fpstr label, int *posn, int label_len) ,

(const fpstr label, int *posn) ,

(const fpstr label, int label_len, int *posn)

)

mttrep: @label: (I) new label (max. length 80 chars) @posn: (I) position for label in label array.
description: Replace label at @posn in header of current output mapfile. Maximum of 10 labels, is exceeded overwrites final label.

FORTRAN_SUBR ( MSYCPY ,

msycpy ,

(int *iunit, int *ounit) ,

(int *iunit, int *ounit) ,

(int *iunit, int *ounit)

)

msycpy: @iunit: (I) input map stream number @ounit: (I) output map stream number
description: Copy symmetry data from file on iostream @iunit to the file on iostream @iunit (after header initialisation calls).

FORTRAN_SUBR ( MPOSN ,

mposn ,

(int *iunit, int *sec) ,

(int *iunit, int *sec) ,

(int *iunit, int *sec)

)

mposn: @iunit: (I) stream number @sec: (I) position the input map before @sec
description: Sets the position in the map file so that the next section to be read is @sec. Note: the section number is input.

FORTRAN_SUBR ( MRDLIN ,

mrdlin ,

(int *iunit, float *line, int *ier) ,

(int *iunit, float *line, int *ier) ,

(int *iunit, float *line, int *ier)

)

mrdlin: @iunit: (I) stream number @line: (O) array to contain the line of data from the map @ier: (O) error flag =0, OK =non-zero, error or EOF.
description: Read the next line of the map from stream @iunit into array @line. returned in the same mode as in file, no data conversion is performed.

FORTRAN_SUBR ( MWRSEC ,

mwrsec ,

(int *iunit, float *section, int *mu, int *mv, int *iu1, int *iu2, int *iv1, int *iv2) ,

(int *iunit, float *section, int *mu, int *mv, int *iu1, int *iu2, int *iv1, int *iv2) ,

(int *iunit, float *section, int *mu, int *mv, int *iu1, int *iu2, int *iv1, int *iv2)

)

mwrsec: @iunit: (I) map stream number @section: (I) array holding the map section @mu: (I) the number of points along the whole fast axis @mv: (I) the number of points along the whole medium axis @iu1: (I) the starting array index along the fast axis @iu2: (I) the final array index along the fast axis @iv1: (I) the starting array index along the medium axis @iv2: (I) the final array index along the medium axis
description: Write part of map section X(MU,MV) to stream @iunit
Note: the C routine this calls uses the C/C++ convention of [) rather than []. Therefore the the @iu1 and @iv1 values are decremented by 1, and the @iu2 and @iv2 are unchanged as paramenters (C uses 0 offset for arrays). Also note that the dimensions are fall the storage array, not the map.

FORTRAN_SUBR ( MGULP ,

mgulp ,

(int *iunit, float *section, int *ier) ,

(int *iunit, float *section, int *ier) ,

(int *iunit, float *section, int *ier)

)

mgulp: @iunit: (I) map stream number @section: (O) array containing section of map data read from file @ier: (O) error code =0, OK =non-zero, error or end-of-file
description: Read next whole map section from stream @iunit to array @section. @section is returned in the same mode as in the file, no data conversion is performed.

FORTRAN_SUBR ( MSPEW ,

mspew ,

(int *iunit, float *section) ,

(int *iunit, float *section) ,

(int *iunit, float *section)

)

mspew: @iunit: (I) stream number @section: (I) array holding the map section.
description: Write whole map section to stream @iunit. This routine is only suitable if the whole map section is to be written.

FORTRAN_SUBR ( MSYPUT ,

msyput ,

(int *sunit, int *spacegroup, int *iunit) ,

(int *sunit, int *spacegroup, int *iunit) ,

(int *sunit, int *spacegroup, int *iunit)

)

msyput: @sunit: (I) iostream to use for SYMOP library (ignored) @spacegroup:(I) spacegroup number @iunit: (I) map stream number
description: Copy symmetry operators to map stream @iunit, leaving space at head of file for n_byt_hdr items of header records.

FORTRAN_SUBR ( MSYWRT ,

msywrt ,

(int *iunit, int *nsym, float *rot) ,

(int *iunit, int *nsym, float *rot) ,

(int *iunit, int *nsym, float *rot)

)

msywrt: @iunit: (I) map stream number @nsym: (I) number of symmetry operators @rot: (I) rotation/translation matrices (4,4,nsym)
description: Write @nsym symmetry operators to iostream @iunit. note: the symmetry operators are written to the file one per line, and may have a different format to those in the SYMOP file (uses symtr3()).

FORTRAN_SUBR ( MCLOSE ,

mclose ,

(int *iunit, float *min, float *max, float *mean, float *rms) ,

(int *iunit, float *min, float *max, float *mean, float *rms) ,

(int *iunit, float *min, float *max, float *mean, float *rms)

)

mclose: @iunit: (I) map stream number @min: (I) minimum density in map @max: (I) maximum density in map @mean: (I) the sum of all the densities in the map. (this will be divided internally by the number of points in the map to give the mean density which is then stored) @rms (I) the sum of the squares of the density values in the map (this will be used internally to calculate the rms deviation from the mean value, which is then stored)
description: Write out header to map file on stream @iunit, and close it.

FORTRAN_SUBR ( MWCLOSE ,

mwclose ,

(int *iunit) ,

(int *iunit) ,

(int *iunit)

)

@iunit: (I) stream number
description: Write out header to mapfile on stream @iunit, and close it.

FORTRAN_SUBR ( MRDHDR ,

mrdhdr ,

(int *iunit, const fpstr mapnam, fpstr title, int *nsec, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, float *rhmin, float *rhmax, float *rhmean, float *rhrms, int mapnam_len, int title_len) ,

(int *iunit, const fpstr mapnam, fpstr title, int *nsec, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, float *rhmin, float *rhmax, float *rhmean, float *rhrms) ,

(int *iunit, const fpstr mapnam, int mapnam_len, fpstr title, int title_len, int *nsec, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, float *rhmin, float *rhmax, float *rhmean, float *rhrms)

)

mrdhdr: @iunit: (I) stream number @mapnam: (I) logical (file) name @title: (O) title of map (char[80]) @nsec: (O) number of sections @iuvw:[3] (O) fast, medium, slow axes (1,2,3 for X,Y,Z) @mxyz:[3] (O) sampling intervals along x,y,z @nw1: (O) first section number @nu1: (O) limits on fast axis @nu2: (O) @nv1: (O) limits on medium axis @nv2: (0) @cell:[6] (O) cell dimensions in Angstroms and degrees @lspgrp: (O) space-group number @lmode: (O) map data mode @rhmin: (O) minimum density @rhmax: (O) maximum density @rhmean: (O) mean density deviation @rhrms: (O) rms deviation
description: Read map header from stream @iunit, logical name in @mapnam. Differs from mrdhds() in that there are no IFAIL nor IPRINT

FORTRAN_SUBR ( MRDHDS ,

mrdhds ,

(int *iunit, const fpstr mapnam, fpstr title, int *nsec, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, float *rhmin, float *rhmax, float *rhmean, float *rhrms, int *ifail, int *iprint, int mapnam_len, int title_len) ,

(int *iunit, const fpstr mapnam, fpstr title, int *nsec, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, float *rhmin, float *rhmax, float *rhmean, float *rhrms, int *ifail, int *iprint) ,

(int *iunit, const fpstr mapnam, int mapnam_len, fpstr title, int title_len, int *nsec, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, float *rhmin, float *rhmax, float *rhmean, float *rhrms, int *ifail, int *iprint)

)

mrdhds: @iunit: (I) stream number @mapnam: (I) logical (file) name @title: (O) title of map (char[80]) @nsec: (O) number of sections @iuvw:[3] (O) fast, medium, slow axes (1,2,3 for X,Y,Z) @mxyz:[3] (O) sampling intervals along x,y,z @nw1: (O) first section number @nu1: (O) limits on fast axis @nu2: (O) @nv1: (O) limits on medium axis @nv2: (O) @cell:[6] (O) cell dimensions in Angstroms and degrees @lspgrp: (O) space-group number @lmode: (O) map data mode @rhmin: (O) minimum density @rhmax: (O) maximum density @rhmean: (O) mean densitry @rhrms: (O) rms deviation form mean density @ifail: (I/O) On input: =0, stop on error =1, return on error On output: =-1, error =unchanged, no error @iprint: (I) =0, silent =other, print info
description: Read map header from stream @iunit, logical name in @mapnam

FORTRAN_SUBR ( MWRHDR ,

mwrhdr ,

(int *iunit, const fpstr title, int *nsecs, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, int title_len) ,

(int *iunit, const fpstr title, int *nsecs, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode) ,

(int *iunit, const fpstr title, int title_len, int *nsecs, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode)

)

mwrhdr: @iunit: (I) map stream number, internal to program @title: (I) map title @nsecs: (I) number of sections in the map @iuvw:[3] (I) fast, medium and slow axes storage @mxyz:[3] (I) sampling intervals along X, Y, Z @nw1: (I) number of first section @nu1: (I) start of section on fast axis @nu2: (I) end of section on fast axis @nv1: (I) start of section on medium axis @nv2: (I) end of section on medium axis @cell:[6] (I) cell dimensions in Angstroms and degrees @lspgrp: (I) space group number @lmode: (I) map data mode =0, FORTRAN logical*1 (char) =1, FORTRAN integer*2 (short?) =2, FORTRAN real*4 (float) =3, complex integer*2 =4, complex real =5, ==0 =10, bricked byte map
description: similar to mwrhdl(). Difference is that the logical filename for the map is assumed to be MAPOUT.

FORTRAN_SUBR ( MWRHDL ,

mwrhdl ,

(int *iunit, const fpstr mapnam, const fpstr title, int *nsecs, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode, int mapnam_len, int title_len) ,

(int *iunit, const fpstr mapnam, const fpstr title, int *nsecs, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode) ,

(int *iunit, const fpstr mapnam, int mapnam_len, const fpstr title, int title_len, int *nsecs, int iuvw[3], int mxyz[3], int *nw1, int *nu1, int *nu2, int *nv1, int *nv2, float cell[6], int *lspgrp, int *lmode)

)

mwrhdl: @iunit: (I) map stream number, internal to program @mapnam: (I) logical file name @title: (I) map title @nsecs: (I) number of sections in the map @iuvw:[3] (I) fast, medium and slow axes storage @mxyz:[3] (I) sampling intervals along X, Y, Z @nw1: (I) number of first section @nu1: (I) start of section on fast axis @nu2: (I) end of section on fast axis @nv1: (I) start of section on medium axis @nv2: (I) end of section on medium axis @cell:[6] (I) cell dimensions in Angstroms and degrees @lspgrp: (I) space group number @lmode: (I) map data mode =0, FORTRAN logical*1 (char) =1, FORTRAN integer*2 (short?) =2, FORTRAN real*4 (float) =3, complex integer*2 =4, complex real =5, ==0 =10, bricked byte map
description: Function used to open an output map file and set up the header information. The actual header is only written to the file when the file is closed

Functions
	FORTRAN_SUBR (MWRHDL, mwrhdl,(int iunit, const fpstr mapnam, const fpstr title, int nsecs, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int lmode, int mapnam_len, int title_len),(int iunit, const fpstr mapnam, const fpstr title, int nsecs, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int lmode),(int iunit, const fpstr mapnam, int mapnam_len, const fpstr title, int title_len, int nsecs, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int *lmode))
	FORTRAN_SUBR (CCP4_MAP_WRITE_OPEN_HEADER_BY_NAME, ccp4_map_write_open_header_by_name,(int iunit, const fpstr mapnam, const fpstr title, int nsecs, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int lmode, int mapnam_len, int title_len),(int iunit, const fpstr mapnam, const fpstr title, int nsecs, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int lmode),(int iunit, const fpstr mapnam, int mapnam_len, const fpstr title, int title_len, int nsecs, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int *lmode))
	FORTRAN_SUBR (MWRHDR, mwrhdr,(int iunit, const fpstr title, int nsecs, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int lmode, int title_len),(int iunit, const fpstr title, int nsecs, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int lmode),(int iunit, const fpstr title, int title_len, int nsecs, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int *lmode))
	FORTRAN_SUBR (CCP4_MAP_WRITE_OPEN_HEADER_BY_ID, ccp4_map_write_open_header_by_id,(int iunit, const fpstr title, int nsecs, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int lmode, int title_len),(int iunit, const fpstr title, int nsecs, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int lmode),(int iunit, const fpstr title, int title_len, int nsecs, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int *lmode))
	FORTRAN_SUBR (MRDHDS, mrdhds,(int iunit, const fpstr mapnam, fpstr title, int nsec, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int lmode, float rhmin, float rhmax, float rhmean, float rhrms, int ifail, int iprint, int mapnam_len, int title_len),(int iunit, const fpstr mapnam, fpstr title, int nsec, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int lmode, float rhmin, float rhmax, float rhmean, float rhrms, int ifail, int iprint),(int iunit, const fpstr mapnam, int mapnam_len, fpstr title, int title_len, int nsec, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int lmode, float rhmin, float rhmax, float rhmean, float rhrms, int ifail, int *iprint))
	FORTRAN_SUBR (CCP4_MAP_READ_OPEN_HEADER_CHECK, ccp4_map_read_open_header_check,(int iunit, const fpstr mapnam, fpstr title, int nsec, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int lmode, float rhmin, float rhmax, float rhmean, float rhrms, int ifail, int iprint, int mapnam_len, int title_len),(int iunit, const fpstr mapnam, fpstr title, int nsec, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int lmode, float rhmin, float rhmax, float rhmean, float rhrms, int ifail, int iprint),(int iunit, const fpstr mapnam, int mapnam_len, fpstr title, int title_len, int nsec, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int lmode, float rhmin, float rhmax, float rhmean, float rhrms, int ifail, int *iprint))
	FORTRAN_SUBR (MRDHDR, mrdhdr,(int iunit, const fpstr mapnam, fpstr title, int nsec, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int lmode, float rhmin, float rhmax, float rhmean, float rhrms, int mapnam_len, int title_len),(int iunit, const fpstr mapnam, fpstr title, int nsec, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int lmode, float rhmin, float rhmax, float rhmean, float rhrms),(int iunit, const fpstr mapnam, int mapnam_len, fpstr title, int title_len, int nsec, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int lmode, float rhmin, float rhmax, float rhmean, float *rhrms))
	FORTRAN_SUBR (CCP4_MAP_READ_OPEN_HEADER, ccp4_map_read_open_header,(int iunit, const fpstr mapnam, fpstr title, int nsec, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int lmode, float rhmin, float rhmax, float rhmean, float rhrms, int mapnam_len, int title_len),(int iunit, const fpstr mapnam, fpstr title, int nsec, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int lmode, float rhmin, float rhmax, float rhmean, float rhrms),(int iunit, const fpstr mapnam, int mapnam_len, fpstr title, int title_len, int nsec, int iuvw[3], int mxyz[3], int nw1, int nu1, int nu2, int nv1, int nv2, float cell[6], int lspgrp, int lmode, float rhmin, float rhmax, float rhmean, float *rhrms))
	FORTRAN_SUBR (MWCLOSE, mwclose,(int iunit),(int iunit),(int *iunit))
	FORTRAN_SUBR (CCP4_MAP_WRITE_CLOSE_AUTO, ccp4_map_write_close_auto,(int iunit),(int iunit),(int *iunit))
	FORTRAN_SUBR (MCLOSE, mclose,(int iunit, float min, float max, float mean, float rms),(int iunit, float min, float max, float mean, float rms),(int iunit, float min, float max, float mean, float *rms))
	FORTRAN_SUBR (CCP4_MAP_WRITE_CLOSE_USER_SUM, ccp4_map_write_close_user_sum,(int iunit, float min, float max, float mean, float rms),(int iunit, float min, float max, float mean, float rms),(int iunit, float min, float max, float mean, float *rms))
	FORTRAN_SUBR (MSYWRT, msywrt,(int iunit, int nsym, float rot),(int iunit, int nsym, float rot),(int iunit, int nsym, float *rot))
	FORTRAN_SUBR (CCP4_MAP_WRITE_SYMM_MATRIX, ccp4_map_write_symm_matrix,(int iunit, int nsym, float rot),(int iunit, int nsym, float rot),(int iunit, int nsym, float *rot))
	FORTRAN_SUBR (MSYPUT, msyput,(int sunit, int spacegroup, int iunit),(int sunit, int spacegroup, int iunit),(int sunit, int spacegroup, int *iunit))
	FORTRAN_SUBR (CCP4_MAP_WRITE_SPGNAME, ccp4_map_write_spgname,(int sunit, int spacegroup, int iunit),(int sunit, int spacegroup, int iunit),(int sunit, int spacegroup, int *iunit))
	FORTRAN_SUBR (MSPEW, mspew,(int iunit, float section),(int iunit, float section),(int iunit, float section))
	FORTRAN_SUBR (CCP4_MAP_WRITE_ALL_SECTION, ccp4_map_write_all_section,(int iunit, float section),(int iunit, float section),(int iunit, float section))
	FORTRAN_SUBR (MGULP, mgulp,(int iunit, float section, int ier),(int iunit, float section, int ier),(int iunit, float section, int *ier))
	FORTRAN_SUBR (CCP4_MAP_READ_WHOLE_SECTION_AS_MODE, ccp4_map_read_whole_section_as_mode,(int iunit, float section, int ier),(int iunit, float section, int ier),(int iunit, float section, int *ier))
	FORTRAN_SUBR (MWRSEC, mwrsec,(int iunit, float section, int mu, int mv, int iu1, int iu2, int iv1, int iv2),(int iunit, float section, int mu, int mv, int iu1, int iu2, int iv1, int iv2),(int iunit, float section, int mu, int mv, int iu1, int iu2, int iv1, int iv2))
	FORTRAN_SUBR (CCP4_MAP_WRITE_PART_SECTION, ccp4_map_write_part_section,(int iunit, float section, int mu, int mv, int iu1, int iu2, int iv1, int iv2),(int iunit, float section, int mu, int mv, int iu1, int iu2, int iv1, int iv2),(int iunit, float section, int mu, int mv, int iu1, int iu2, int iv1, int iv2))
	FORTRAN_SUBR (MRDLIN, mrdlin,(int iunit, float line, int ier),(int iunit, float line, int ier),(int iunit, float line, int *ier))
	FORTRAN_SUBR (CCP4_MAP_READ_LINE_AS_MODE, ccp4_map_read_line_as_mode,(int iunit, float line, int ier),(int iunit, float line, int ier),(int iunit, float line, int *ier))
	FORTRAN_SUBR (MPOSN, mposn,(int iunit, int sec),(int iunit, int sec),(int iunit, int sec))
	FORTRAN_SUBR (CCP4_MAP_READ_POSITION_SELECTION, ccp4_map_read_position_selection,(int iunit, int sec),(int iunit, int sec),(int iunit, int sec))
	FORTRAN_SUBR (MSYCPY, msycpy,(int iunit, int ounit),(int iunit, int ounit),(int iunit, int ounit))
	FORTRAN_SUBR (CCP4_MAP_COPY_SYMMETRY, ccp4_map_copy_symmetry,(int iunit, int ounit),(int iunit, int ounit),(int iunit, int ounit))
	FORTRAN_SUBR (MTTREP, mttrep,(const fpstr label, int posn, int label_len),(const fpstr label, int posn),(const fpstr label, int label_len, int *posn))
	FORTRAN_SUBR (CCP4_MAP_WRITE_REPLACE_TITLE, ccp4_map_write_replace_title,(const fpstr label, int posn, int label_len),(const fpstr label, int posn),(const fpstr label, int label_len, int *posn))
	FORTRAN_SUBR (MTTCPY, mttcpy,(const fpstr label, int label_len),(const fpstr label),(const fpstr label, int label_len))
	FORTRAN_SUBR (CCP4_MAP_COPY_TITLE, ccp4_map_copy_title,(const fpstr label, int label_len),(const fpstr label),(const fpstr label, int label_len))
	FORTRAN_SUBR (MSKPUT, mskput,(float skew_rot, float skew_trans),(float skew_rot, float skew_trans),(float skew_rot, float skew_trans))
	FORTRAN_SUBR (CCP4_MAP_WRITE_SKEW_INFO, ccp4_map_write_skew_info,(float skew_rot, float skew_trans),(float skew_rot, float skew_trans),(float skew_rot, float skew_trans))
	FORTRAN_FUN (int, MSKGET, mskget,(float mask_rot, float mask_trans),(float mask_rot, float mask_trans),(float mask_rot, float mask_trans))
	FORTRAN_SUBR (CCP4_MAP_WRITE_SECTION_HEADER, ccp4_map_write_section_header,(int iunit, float section, const fpstr local_hdr, int local_hdr_len),(int iunit, float section, const fpstr local_hdr),(int iunit, float section, const fpstr local_hdr, int local_hdr_len))
	FORTRAN_SUBR (CCP4_MAP_READ_SECTION_HEADER, ccp4_map_read_section_header,(int iunit, float section, const fpstr local_hdr, int ier, int local_hdr_len),(int iunit, float section, const fpstr local_hdr, int ier),(int iunit, float section, const fpstr local_hdr, int local_hdr_len, int *ier))
	FORTRAN_SUBR (CCP4_MAP_SET_LOCAL_HEADER, ccp4_map_set_local_header,(int iunit, int size),(int iunit, int size),(int iunit, int size))
	FORTRAN_SUBR (MWFNAM, mwfnam,(fpstr logname, int logname_len),(fpstr logname),(fpstr logname, int logname_len))
	FORTRAN_SUBR (CCP4_MAP_GET_LAST_WRITE_FILENAME, ccp4_map_get_last_write_filename,(fpstr logname, int logname_len),(fpstr logname),(fpstr logname, int logname_len))
	FORTRAN_SUBR (MSTMST, mstmst,(int map),(int map),(int *map))
	FORTRAN_SUBR (MODECV, modecv,(float output, float input, int number, int mode),(float output, float input, int number, int mode),(float output, float input, int number, int mode))
	FORTRAN_SUBR (CCP4_MAP_MODE_TO_REAL, ccp4_map_mode_to_real,(float output, float input, int number, int mode),(float output, float input, int number, int mode),(float output, float input, int number, int mode))
	FORTRAN_FUN (int, NBYTXX, nbytxx,(int nwords),(int nwords),(int *nwords))