gpp4 1.3.1
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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 (MCLOSC, mclosc,(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_MEAN, ccp4_map_write_close_user_mean,(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 (MRCLOS, mrclos,(int *iunit),(int *iunit),(int *iunit)) | |
FORTRAN_SUBR (CCP4_MAP_READ_CLOSE, ccp4_map_read_close,(int *iunit),(int *iunit),(int *iunit)) | |
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 (MSYMOP, msymop,(int *iunit, int *nsym, float *rot),(int *iunit, int *nsym, float *rot),(int *iunit, int *nsym, float *rot)) | |
FORTRAN_SUBR (CCP4_MAP_READ_SYMM_MATRIX, ccp4_map_read_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 (MGULPR, mgulpr,(int *iunit, float *section, int *ier),(int *iunit, float *section, int *ier),(int *iunit, float *section, int *ier)) | |
FORTRAN_SUBR (CCP4_MAP_READ_WHOLE_SECT_AS_REAL, ccp4_map_read_whole_sect_as_real,(int *iunit, float *section, int *ier),(int *iunit, float *section, int *ier),(int *iunit, float *section, 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 (MPOSNW, mposnw,(int *iunit, int *sec),(int *iunit, int *sec),(int *iunit, int *sec)) | |
FORTRAN_SUBR (CCP4_MAP_WRITE_POSITION_SECTION, ccp4_map_write_position_section,(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 (CCP4_MAP_GET_LOCAL_HEADER, ccp4_map_get_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 (MRFNAM, mrfnam,(fpstr logname, int logname_len),(fpstr logname),(fpstr logname, int logname_len)) | |
FORTRAN_SUBR (CCP4_MAP_GET_LAST_READ_FILENAME, ccp4_map_get_last_read_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)) |
Fortran API for input, output and manipulation of CCP4 map files.
FORTRAN_FUN | ( | int | , |
MSKGET | , | ||
mskget | , | ||
(float *mask_rot, float *mask_trans) | , | ||
(float *mask_rot, float *mask_trans) | , | ||
(float *mask_rot, float *mask_trans) | |||
) |
mskget: : (I) skew rotation matrix S[3][3]; S11, S12, etc (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_FUN | ( | int | , |
NBYTXX | , | ||
nbytxx | , | ||
(int *nwords) | , | ||
(int *nwords) | , | ||
(int *nwords) | |||
) |
Returns the number of machine items in NWORDS words (floats)
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: : (O) output array contain translated reals : (I) pre-translation array (read from file) : (I) number of elements to be translated : (I) storage mode, = 0 FORTRAN character (uint8) = 1 FORTRAN I*2 (uint16) = 3 complex short = 4 complex real (uint32)
description: Convert items form (mode ) to float in .
References ccp4_signal(), and ccp4_utils_translate_mode_float().
FORTRAN_SUBR | ( | MSTMST | , |
mstmst | , | ||
(int *map) | , | ||
(int *map) | , | ||
(int *map) | |||
) |
mstmst: : (O) "MAP "
description: Set integer MAP to string "MAP "
FORTRAN_SUBR | ( | MRFNAM | , |
mrfnam | , | ||
(fpstr logname, int logname_len) | , | ||
(fpstr logname) | , | ||
(fpstr logname, int logname_len) | |||
) |
mwfnam: : (O) logical name of last open file
description: Returns the logical name for the last read from file
References MIN.
FORTRAN_SUBR | ( | MWFNAM | , |
mwfnam | , | ||
(fpstr logname, int logname_len) | , | ||
(fpstr logname) | , | ||
(fpstr logname, int logname_len) | |||
) |
mwfnam: : (O) logical name of last open file
description: Returns the logical name for the last written to file
References MIN.
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: : (I) map stream number
References ccp4_cmap_read_section(), ccp4_cmap_read_section_header(), and ccp4_signal().
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: : (I) stream number
References ccp4_cmap_write_section(), ccp4_cmap_write_section_header(), ccp4_FtoCString(), and ccp4_signal().
FORTRAN_SUBR | ( | MSKPUT | , |
mskput | , | ||
(float *skew_rot, float *skew_trans) | , | ||
(float *skew_rot, float *skew_trans) | , | ||
(float *skew_rot, float *skew_trans) | |||
) |
mskput: : (I) skew rotation matrix S[3][3];S11, S12, etc (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: : (I) new label
description: Copy all labels from the current input map to the header (struct) of the current output mapfile, adding to the end.
References ccp4_FtoCString().
FORTRAN_SUBR | ( | MWCLOSE | , |
mwclose | , | ||
(int *iunit) | , | ||
(int *iunit) | , | ||
(int *iunit) | |||
) |
: (I) stream number
description: Write out header to mapfile on stream , and close it.
References ccp4_signal().
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: : (I) new label (max. length 80 chars) : (I) position for label in label array.
description: Replace label at in header of current output mapfile. Maximum of 10 labels, is exceeded overwrites final label.
References ccp4_FtoCString().
FORTRAN_SUBR | ( | MSYCPY | , |
msycpy | , | ||
(int *iunit, int *ounit) | , | ||
(int *iunit, int *ounit) | , | ||
(int *iunit, int *ounit) | |||
) |
msycpy: : (I) input map stream number : (I) output map stream number
description: Copy symmetry data from file on iostream to the file on iostream (after header initialisation calls).
References ccp4_signal().
FORTRAN_SUBR | ( | MPOSNW | , |
mposnw | , | ||
(int *iunit, int *sec) | , | ||
(int *iunit, int *sec) | , | ||
(int *iunit, int *sec) | |||
) |
mposnw: : (I) stream number : (I) position the input map before
description: Sets the position in the map file so that the next section to be written is (used to overwrite)
References ccp4_cmap_seek_section(), and ccp4_signal().
FORTRAN_SUBR | ( | MPOSN | , |
mposn | , | ||
(int *iunit, int *sec) | , | ||
(int *iunit, int *sec) | , | ||
(int *iunit, int *sec) | |||
) |
mposn: : (I) stream number : (I) position the input map before
description: Sets the position in the map file so that the next section to be read is . Note: the section number is input.
References ccp4_cmap_seek_section(), and ccp4_signal().
FORTRAN_SUBR | ( | MGULP | , |
mgulp | , | ||
(int *iunit, float *section, int *ier) | , | ||
(int *iunit, float *section, int *ier) | , | ||
(int *iunit, float *section, int *ier) | |||
) |
mgulp: : (I) map stream number
References ccp4_cmap_read_section(), and ccp4_signal().
FORTRAN_SUBR | ( | MGULPR | , |
mgulpr | , | ||
(int *iunit, float *section, int *ier) | , | ||
(int *iunit, float *section, int *ier) | , | ||
(int *iunit, float *section, int *ier) | |||
) |
mgulpr: : (I) stream number
References ccp4_cmap_read_section(), ccp4_file_itemsize(), ccp4_signal(), and ccp4_utils_translate_mode_float().
FORTRAN_SUBR | ( | MRDLIN | , |
mrdlin | , | ||
(int *iunit, float *line, int *ier) | , | ||
(int *iunit, float *line, int *ier) | , | ||
(int *iunit, float *line, int *ier) | |||
) |
mrdlin: : (I) stream number (O) array to contain the line of data from the map : (O) error flag =0, OK =non-zero, error or EOF.
description: Read the next line of the map from stream into array
References ccp4_cmap_read_row(), and ccp4_signal().
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: : (I) map stream number
References ccp4_cmap_write_data(), and ccp4_signal().
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: : (I) map stream number : (I) minimum density in map : (I) maximum density in map : (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) (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 , and close it.
References ccp4_signal().
FORTRAN_SUBR | ( | MSPEW | , |
mspew | , | ||
(int *iunit, float *section) | , | ||
(int *iunit, float *section) | , | ||
(int *iunit, float *section) | |||
) |
mspew: : (I) stream number
References ccp4_cmap_write_section(), and ccp4_signal().
FORTRAN_SUBR | ( | MSYPUT | , |
msyput | , | ||
(int *sunit, int *spacegroup, int *iunit) | , | ||
(int *sunit, int *spacegroup, int *iunit) | , | ||
(int *sunit, int *spacegroup, int *iunit) | |||
) |
msyput: : (I) iostream to use for SYMOP library (ignored) :(I) spacegroup number : (I) map stream number
description: Copy symmetry operators to map stream , leaving space at head of file for n_byt_hdr items of header records.
References ccp4_signal().
FORTRAN_SUBR | ( | MSYMOP | , |
msymop | , | ||
(int *iunit, int *nsym, float *rot) | , | ||
(int *iunit, int *nsym, float *rot) | , | ||
(int *iunit, int *nsym, float *rot) | |||
) |
msymop: : (I) map stream number : (O) number of symmetry operations : (O) rotation/translation matrices (4,4,nsym)
description: Read symmetry operations from the mapfile on iostream (after call to mrdhdr() to initialise header). Convert to matrices and vectors. Note: when no symops are found the I matrix is return (P1 spacegroup)
References ccp4_signal().
FORTRAN_SUBR | ( | MSYWRT | , |
msywrt | , | ||
(int *iunit, int *nsym, float *rot) | , | ||
(int *iunit, int *nsym, float *rot) | , | ||
(int *iunit, int *nsym, float *rot) | |||
) |
msywrt: : (I) map stream number : (I) number of symmetry operators : (I) rotation/translation matrices (4,4,nsym)
description: Write symmetry operators to iostream . 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()).
References ccp4_signal(), and mat4_to_symop().
FORTRAN_SUBR | ( | MRCLOS | , |
mrclos | , | ||
(int *iunit) | , | ||
(int *iunit) | , | ||
(int *iunit) | |||
) |
mrclos: : (I) map stream number
References ccp4_signal().
FORTRAN_SUBR | ( | MCLOSC | , |
mclosc | , | ||
(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) | |||
) |
mclosc: : (I) map stream number : (I) minimum density in map : (I) maximum density in map : (I) the sum of all the densities in the map. : (I) the sum of the squares of the density values in the map
description: Write out header to map file on stream , and close it. This routine differs from mwclose() in that the and values are written directly.
References ccp4_signal().
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: : (I) map stream number, internal to program : (I) map title : (I) number of sections in the map :[3] (I) fast, medium and slow axes storage :[3] (I) sampling intervals along X, Y, Z : (I) number of first section : (I) start of section on fast axis : (I) end of section on fast axis : (I) start of section on medium axis : (I) end of section on medium axis :[6] (I) cell dimensions in Angstroms and degrees : (I) space group number : (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.
References ccp4_cmap_open(), ccp4_FtoCString(), and ccp4_signal().
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: : (I) map stream number, internal to program : (I) logical file name : (I) map title : (I) number of sections in the map :[3] (I) fast, medium and slow axes storage :[3] (I) sampling intervals along X, Y, Z : (I) number of first section : (I) start of section on fast axis : (I) end of section on fast axis : (I) start of section on medium axis : (I) end of section on medium axis :[6] (I) cell dimensions in Angstroms and degrees : (I) space group number : (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
References ccp4_cmap_open(), ccp4_FtoCString(), and ccp4_signal().
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: : (I) stream number : (I) logical (file) name : (O) title of map (char[80]) : (O) number of sections :[3] (O) fast, medium, slow axes (1,2,3 for X,Y,Z) :[3] (O) sampling intervals along x,y,z : (O) first section number : (O) limits on fast axis : (O) : (O) limits on medium axis : (0) :[6] (O) cell dimensions in Angstroms and degrees : (O) space-group number : (O) map data mode : (O) minimum density : (O) maximum density : (O) mean density deviation : (O) rms deviation
description: Read map header from stream , logical name in . Differs from mrdhds() in that there are no IFAIL nor IPRINT
References ccp4_cmap_open(), ccp4_CtoFString(), ccp4_FtoCString(), ccp4_signal(), and ccperror().
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: : (I) stream number : (I) logical (file) name : (O) title of map (char[80]) : (O) number of sections :[3] (O) fast, medium, slow axes (1,2,3 for X,Y,Z) :[3] (O) sampling intervals along x,y,z : (O) first section number : (O) limits on fast axis : (O) : (O) limits on medium axis : (O) :[6] (O) cell dimensions in Angstroms and degrees : (O) space-group number : (O) map data mode : (O) minimum density : (O) maximum density : (O) mean densitry : (O) rms deviation form mean density : (I/O) On input: =0, stop on error =1, return on error On output: =-1, error =unchanged, no error : (I) =0, silent =other, print info
description: Read map header from stream , logical name in
References ccp4_cmap_open(), ccp4_FtoCString(), ccp4_signal(), ccperror(), and MIN.