gpp4  1.3.1
Functions
ccp4_array.c File Reference

Resizable array implementation. More...

#include "ccp4_array.h"

Functions

ccp4_ptr ccp4array_new_ (ccp4_ptr *p)
 
ccp4_ptr ccp4array_new_size_ (ccp4_ptr *p, const int size, const size_t reclen)
 
void ccp4array_resize_ (ccp4_ptr *p, const int size, const size_t reclen)
 
void ccp4array_reserve_ (ccp4_ptr *p, const int size, const size_t reclen)
 
void ccp4array_append_ (ccp4_ptr *p, ccp4_constptr data, const size_t reclen)
 
void ccp4array_append_n_ (ccp4_ptr *p, ccp4_constptr data, const int n, const size_t reclen)
 
void ccp4array_append_list_ (ccp4_ptr *p, ccp4_constptr data, const int n, const size_t reclen)
 
void ccp4array_insert_ (ccp4_ptr *p, const int i, ccp4_constptr data, const size_t reclen)
 
void ccp4array_delete_ordered_ (ccp4_ptr *p, const int i, const size_t reclen)
 
void ccp4array_delete_ (ccp4_ptr *p, const int i, const size_t reclen)
 
void ccp4array_delete_last_ (ccp4_ptr *p, const size_t reclen)
 
int ccp4array_size_ (ccp4_constptr *p)
 
void ccp4array_free_ (ccp4_ptr *p)
 

Detailed Description

Resizable array implementation.

Author
Kevin Cowtan

Function Documentation

◆ ccp4array_append_()

void ccp4array_append_ ( ccp4_ptr p,
ccp4_constptr  data,
const size_t  reclen 
)

See macro ccp4array_append

◆ ccp4array_append_list_()

void ccp4array_append_list_ ( ccp4_ptr p,
ccp4_constptr  data,
const int  n,
const size_t  reclen 
)

See macro ccp4array_append_list

◆ ccp4array_append_n_()

void ccp4array_append_n_ ( ccp4_ptr p,
ccp4_constptr  data,
const int  n,
const size_t  reclen 
)

See macro ccp4array_append_n

◆ ccp4array_delete_()

void ccp4array_delete_ ( ccp4_ptr p,
const int  i,
const size_t  reclen 
)

See macro ccp4array_delete

◆ ccp4array_delete_last_()

void ccp4array_delete_last_ ( ccp4_ptr p,
const size_t  reclen 
)

See macro ccp4array_delete_last

◆ ccp4array_delete_ordered_()

void ccp4array_delete_ordered_ ( ccp4_ptr p,
const int  i,
const size_t  reclen 
)

See macro ccp4array_delete_ordered

◆ ccp4array_free_()

void ccp4array_free_ ( ccp4_ptr p)

See macro ccp4array_free

◆ ccp4array_insert_()

void ccp4array_insert_ ( ccp4_ptr p,
const int  i,
ccp4_constptr  data,
const size_t  reclen 
)

See macro ccp4array_insert

◆ ccp4array_new_()

ccp4_ptr ccp4array_new_ ( ccp4_ptr p)

See macro ccp4array_new

◆ ccp4array_new_size_()

ccp4_ptr ccp4array_new_size_ ( ccp4_ptr p,
const int  size,
const size_t  reclen 
)

See macro ccp4array_new_size

◆ ccp4array_reserve_()

void ccp4array_reserve_ ( ccp4_ptr p,
const int  size,
const size_t  reclen 
)

See macro ccp4array_reserve

◆ ccp4array_resize_()

void ccp4array_resize_ ( ccp4_ptr p,
const int  size,
const size_t  reclen 
)

See macro ccp4array_resize

◆ ccp4array_size_()

int ccp4array_size_ ( ccp4_constptr p)

See macro ccp4array_size

ccp4_signal
void ccp4_signal(const int, const char *const, void(*)())
Definition: library_err.c:278
ccp4_fatal
void ccp4_fatal(const char *)
Definition: library_err.c:235
MtzListInputColumn
int MtzListInputColumn(const MTZ *mtz, char clabs[][31], char ctyps[][3], int csetid[])
Definition: cmtzlib.c:1224
ccp4_banner
void ccp4_banner(void)
Definition: ccp4_general.c:1370
ccp4_spacegroup_::spg_ccp4_num
int spg_ccp4_num
Definition: ccp4_spg.h:61
ccp4_utils_bml
void ccp4_utils_bml(int ncols, union float_uint_uchar cols[])
Definition: library_utils.c:254
ccp4_cmap_get_datamode
unsigned int ccp4_cmap_get_datamode(const CMMFile *mfile)
Definition: cmap_accessor.c:176
ccp4_utils_flength
size_t ccp4_utils_flength(char *, int)
Definition: library_utils.c:119
ccp4_cmap_get_grid
void ccp4_cmap_get_grid(const CMMFile *mfile, int *grid)
Definition: cmap_accessor.c:58
_CMMFile
Construct to hold the information about a map file.
Definition: cmaplib.h:118
ccp4_utils.h
Utility functions.
_CFileStruct
Definition: library_file.h:40
MtzMemTidy
void MtzMemTidy(void)
Definition: cmtzlib_f.c:107
FORTRAN_SUBR
FORTRAN_SUBR(UIDATE, uidate,(int *imonth, int *iday, int *iyear),(int *imonth, int *iday, int *iyear),(int *imonth, int *iday, int *iyear))
Definition: ccp4_general_f.c:258
ccp4ProgramName
char * ccp4ProgramName(const char *progname)
Definition: ccp4_program.c:65
ccp4_parser
int ccp4_parser(char *line, const int nchars, CCP4PARSERARRAY *parser, const int print)
Definition: ccp4_parser.c:742
FORTRAN_SUBR
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))
Definition: cmaplib_f.c:417
ccp4_general.h
Header file for CCP4 library clones.
MTZ_MINOR_VERSN
#define MTZ_MINOR_VERSN
Definition: mtzdata.h:35
ccp4_spacegroup_::npatt
int npatt
Definition: ccp4_spg.h:73
ccp4_lwsymm
int ccp4_lwsymm(MTZ *mtz, int nsymx, int nsympx, float rsymx[192][4][4], char ltypex[], int nspgrx, char spgrnx[], char pgnamx[])
Definition: cmtzlib.c:2280
ccp4fyp
int ccp4fyp(int argc, char **argv)
Definition: ccp4_general.c:284
_CMMFile_Stats::min
float min
Definition: cmaplib.h:107
ccp4_cmap_write_data
int ccp4_cmap_write_data(CMMFile *mfile, const void *items, int n_items)
Definition: cmap_data.c:441
CCP4PARSERARRAY::token
CCP4PARSERTOKEN * token
Definition: ccp4_parser.h:153
FORTRAN_SUBR
FORTRAN_SUBR(COPEN, copen,(int *iunit, fpstr filename, int *istat, int filename_len),(int *iunit, fpstr filename, int *istat),(int *iunit, fpstr filename, int filename_len, int *istat))
Definition: ccp4_diskio_f.c:215
csymlib.h
C-level library for symmetry information.
MTZ::xtal
MTZXTAL ** xtal
Definition: mtzdata.h:183
ccp4_cmap_get_cell
void ccp4_cmap_get_cell(const CMMFile *mfile, float *cell)
Definition: cmap_accessor.c:29
ccp4_spacegroup_::mapasu_ccp4
float mapasu_ccp4[3]
Definition: ccp4_spg.h:93
ccp4spg_pgname_equal
int ccp4spg_pgname_equal(const char *pgname1, const char *pgname2)
Definition: csymlib.c:883
ccp4_FtoCString
char * ccp4_FtoCString(fpstr str1, int str1_len)
Definition: library_f.c:50
ccperror
int ccperror(int ierr, const char *message)
Definition: ccp4_general.c:67
MTZSET
Definition: mtzdata.h:67
ccp4spg_name_equal_to_lib
int ccp4spg_name_equal_to_lib(const char *spgname_lib, const char *spgname_match)
Definition: csymlib.c:770
ccp4spg_load_by_ccp4_num
CCP4SPG * ccp4spg_load_by_ccp4_num(const int ccp4numspg)
Definition: csymlib.c:54
ccp4_lwtitl
int ccp4_lwtitl(MTZ *mtz, const char *ftitle, int flag)
Definition: cmtzlib.c:2087
ccp4_file_open
CCP4File * ccp4_file_open(const char *filename, const int flag)
Definition: library_file.c:889
ccp4_unitcell.h
C library for manipulations based on cell parameters.
ccp4_fortran.h
Header file for Fortran APIs.
ccp4spg_mem_tidy
void ccp4spg_mem_tidy(void)
Definition: csymlib_f.c:99
ccp4_cmap_set_grid
void ccp4_cmap_set_grid(CMMFile *mfile, const int *grid)
Definition: cmap_accessor.c:69
ccp4_lrsymi_c
int ccp4_lrsymi_c(const MTZ *mtz, int *nsympx, char *ltypex, int *nspgrx, char *spgrnx, char *pgnamx, char *spgconf)
Definition: cmtzlib.c:1284
ccp4_cmap_write_section_header
int ccp4_cmap_write_section_header(CMMFile *mfile, const char *header)
Definition: cmap_data.c:243
MtzNumActiveCol
int MtzNumActiveCol(const MTZ *mtz)
Definition: cmtzlib.c:3752
ccp4_lwsymconf
int ccp4_lwsymconf(MTZ *mtz, char spgconf[])
Definition: cmtzlib.c:2273
ccp4_lrrefl
int ccp4_lrrefl(const MTZ *mtz, float *resol, float adata[], int logmss[], int iref)
Definition: cmtzlib.c:1498
CCP4PARSERARRAY::delim
char * delim
Definition: ccp4_parser.h:157
MtzMemTidy
void MtzMemTidy(void)
Definition: cmtzlib_f.c:107
ccp4_cmap_num_symop
int ccp4_cmap_num_symop(const CMMFile *mfile)
Definition: cmap_symop.c:27
ccp4_utils_hgetlimits
void ccp4_utils_hgetlimits(int *, float *)
Definition: library_utils.c:278
MTZXTAL::cell
float cell[6]
Definition: mtzdata.h:78
ccp4_file_setstamp
int ccp4_file_setstamp(CCP4File *cfile, const size_t offset)
Definition: library_file.c:625
CCP4PARSERARRAY::fp
FILE * fp
Definition: ccp4_parser.h:155
ccp4spg_free
void ccp4spg_free(CCP4SPG **sp)
Definition: csymlib.c:634
ccp4_nan
union float_uint_uchar ccp4_nan()
Definition: library_utils.c:208
ccp4_cmap_set_cell
void ccp4_cmap_set_cell(CMMFile *mfile, const float *cell)
Definition: cmap_accessor.c:43
ccp4_cmap_read_section
int ccp4_cmap_read_section(CMMFile *mfile, void *section)
Definition: cmap_data.c:147
ccp4spg_load_laue
int ccp4spg_load_laue(CCP4SPG *spacegroup, const int nlaue)
Definition: csymlib.c:1835
MTZCOL
Definition: mtzdata.h:53
ccp4_spgrp_reverse_lookup
CCP4SPG * ccp4_spgrp_reverse_lookup(const int nsym1, const ccp4_symop *op1)
Definition: csymlib.c:69
MTZ::nxtal
int nxtal
Definition: mtzdata.h:173
MtzFreeBatch
int MtzFreeBatch(MTZBAT *batch)
Definition: cmtzlib.c:3388
fpstr
pstr fpstr
Definition: ccp4_fortran.h:328
MAXSPGNAMELENGTH
#define MAXSPGNAMELENGTH
Definition: mtzdata.h:42
ccp4_CtoFString
void ccp4_CtoFString(fpstr str1, int str1_len, const char *cstring)
Definition: library_f.c:71
summary_output
int summary_output(int isumm_in)
Definition: ccp4_program.c:275
ccp4_lrtitl
int ccp4_lrtitl(const MTZ *mtz, char *title)
Definition: cmtzlib.c:1095
MtzPut
int MtzPut(MTZ *mtz, const char *logname)
Definition: cmtzlib.c:2587
ccp4_cmap_number_label
int ccp4_cmap_number_label(const CMMFile *mfile)
Definition: cmap_labels.c:155
MtzColLookup
MTZCOL * MtzColLookup(const MTZ *mtz, const char *label)
Definition: cmtzlib.c:3871
bathead::num
int num
Definition: mtzdata.h:86
MtzNref
int MtzNref(const MTZ *mtz)
Definition: cmtzlib.c:3770
ccp4_utils_etime
float ccp4_utils_etime(float tarray[2])
Definition: library_utils.c:643
float_uint_uchar::f
float32 f
Definition: ccp4_types.h:45
ccp4_utils_malloc
void * ccp4_utils_malloc(size_t)
Definition: library_utils.c:401
FORTRAN_SUBR
FORTRAN_SUBR(PARSER, parser,(fpstr key, fpstr line, int *ibeg, int *iend, int *ityp, float *fvalue, fpstr cvalue, int *idec, int *ntok, ftn_logical *lend, const ftn_logical *print, int key_len, int line_len, int cvalue_len),(fpstr key, fpstr line, int *ibeg, int *iend, int *ityp, float *fvalue, fpstr cvalue, int *idec, int *ntok, ftn_logical *lend, const ftn_logical *print),(fpstr key, int key_len, fpstr line, int line_len, int *ibeg, int *iend, int *ityp, float *fvalue, fpstr cvalue, int cvalue_len, int *idec, int *ntok, ftn_logical *lend, const ftn_logical *print))
Definition: ccp4_parser_f.c:304
ccp4_lrbats
int ccp4_lrbats(const MTZ *mtz, int *nbatx, int batchx[])
Definition: cmtzlib.c:1148
ccp4_cmap_get_mask
int ccp4_cmap_get_mask(const CMMFile *mfile, float *skew_mat, float *skew_trans)
Definition: cmap_skew.c:66
ccp4_file_readcomp
int ccp4_file_readcomp(CCP4File *cfile, uint8 *buffer, size_t nitems)
Definition: library_file.c:1161
FORTRAN_FUN
FORTRAN_FUN(int, CCP4SPG_F_EQUAL_OPS_ORDER, ccp4spg_f_equal_ops_order,(int *msym1, float rrsym1[192][4][4], int *msym2, float rrsym2[192][4][4]),(int *msym1, float rrsym1[192][4][4], int *msym2, float rrsym2[192][4][4]),(int *msym1, float rrsym1[192][4][4], int *msym2, float rrsym2[192][4][4]))
Definition: csymlib_f.c:922
ccp4_spacegroup_::invsymop
ccp4_symop * invsymop
Definition: ccp4_spg.h:79
ccp4_cmap_closemode
void ccp4_cmap_closemode(CMMFile *mfile, unsigned int closemode)
Definition: cmap_close.c:78
ccp4_cmap_get_mapstats
void ccp4_cmap_get_mapstats(const CMMFile *mfile, float *min, float *max, double *mean, double *rms)
Definition: cmap_accessor.c:206
ccp4_lrsymi
int ccp4_lrsymi(const MTZ *mtz, int *nsympx, char *ltypex, int *nspgrx, char *spgrnx, char *pgnamx)
Definition: cmtzlib.c:1277
ccp4_spacegroup_::point_group
char point_group[20]
Definition: ccp4_spg.h:66
ccp4_utils_chmod
int ccp4_utils_chmod(const char *, const char *)
Definition: library_utils.c:352
ccp4spg_generate_origins
int ccp4spg_generate_origins(const char *namspg, const int nsym, const float rsym[][4][4], float origins[][3], int *polarx, int *polary, int *polarz, const int iprint)
Definition: csymlib.c:1459
ccp4_utils_outbuf
int ccp4_utils_outbuf(void)
Definition: library_utils.c:178
MTZ::batch
MTZBAT * batch
Definition: mtzdata.h:184
MtzNcol
int MtzNcol(const MTZ *mtz)
Definition: cmtzlib.c:3743
float_uint_uchar::i
uint32 i
Definition: ccp4_types.h:46
MTZSET::setid
int setid
Definition: mtzdata.h:67
ccp4_cmap_seek_section
int ccp4_cmap_seek_section(CMMFile *mfile, int sec, unsigned int whence)
Definition: cmap_data.c:54
ccp4spg_print_centric_zones
void ccp4spg_print_centric_zones(const CCP4SPG *sp)
Definition: csymlib.c:1211
fparse_strncpypad
int fparse_strncpypad(char *fstr, const char *cstr, const int lfstr)
Definition: ccp4_parser_f.c:103
MTZ::nref
int nref
Definition: mtzdata.h:175
ccp4_cmap_close
void ccp4_cmap_close(CMMFile *mfile)
Definition: cmap_close.c:35
FORTRAN_SUBR
#define FORTRAN_SUBR(NAME, name, p_sun, p_stardent, p_mvs)
Definition: ccp4_fortran.h:351
ccp4_utils_noinpbuf
int ccp4_utils_noinpbuf(void)
Definition: library_utils.c:200
ccp4_file_readchar
int ccp4_file_readchar(CCP4File *cfile, uint8 *buffer, size_t nitems)
Definition: library_file.c:1528
ccp4ProgramTime
void ccp4ProgramTime(int init)
Definition: ccp4_program.c:149
MtzNbat
int MtzNbat(const MTZ *mtz)
Definition: cmtzlib.c:3777
MTZSET::col
MTZCOL ** col
Definition: mtzdata.h:71
ccp4uc_orthu_to_fracu
void ccp4uc_orthu_to_fracu(const double rf[3][3], const double uo[6], double uf[6])
Definition: ccp4_unitcell.c:235
MTZCOL::max
float max
Definition: mtzdata.h:58
_CMMFile::origin
int origin[3]
Definition: cmaplib.h:127
MtzXtalLookup
MTZXTAL * MtzXtalLookup(const MTZ *mtz, const char *label)
Definition: cmtzlib.c:3913
ccp4_cmap_get_order
void ccp4_cmap_get_order(const CMMFile *mfile, int *axes_order)
Definition: cmap_accessor.c:105
ccp4_lrbat
int ccp4_lrbat(MTZBAT *batch, float *buf, char *charbuf, int iprint)
Definition: cmtzlib.c:1934
_CMMFile::spacegroup
int spacegroup
Definition: cmaplib.h:124
ccp4_cmap_open
void * ccp4_cmap_open(const char *filename, int mode)
Definition: cmap_open.c:82
FORTRAN_CALL
#define FORTRAN_CALL(NAME, name, p_sun, p_stardent, p_mvs)
Definition: ccp4_fortran.h:361
ccp4_file_read
int ccp4_file_read(CCP4File *cfile, uint8 *buffer, size_t nitems)
Definition: library_file.c:1137
_CMMFile::map_dim
int map_dim[3]
Definition: cmaplib.h:125
ccp4_cmap_get_spacegroup
int ccp4_cmap_get_spacegroup(const CMMFile *mfile)
Definition: cmap_accessor.c:158
MTZXTAL::set
MTZSET ** set
Definition: mtzdata.h:82
get_grid_sample
int get_grid_sample(const int minsmp, const int nmul, const float sample)
Definition: csymlib.c:1794
CCP4PARSERTOKEN
CCP4 Parser token Construct to hold the information about a single token.
Definition: ccp4_parser.h:127
ccp4_utils_time
char * ccp4_utils_time(char *)
Definition: library_utils.c:627
MTZ::refs_in_memory
int refs_in_memory
Definition: mtzdata.h:177
ccp4_spacegroup_::patt_name
char patt_name[40]
Definition: ccp4_spg.h:74
_CMMFile_Stats::max
float max
Definition: cmaplib.h:108
ccpexists
int ccpexists(char *filename)
Definition: ccp4_general.c:1309
ccp4_cmap_set_datamode
void ccp4_cmap_set_datamode(CMMFile *mfile, unsigned int datamode)
Definition: cmap_accessor.c:186
ccp4_parse_start
CCP4PARSERARRAY * ccp4_parse_start(const int maxtokens)
Definition: ccp4_parser.c:71
ccp4_spacegroup_::symop
ccp4_symop * symop
Definition: ccp4_spg.h:78
MTZSET::ncol
int ncol
Definition: mtzdata.h:70
_IOConvMap
Definition: cmaplib_f.h:37
ccp4_program.h
Header file for utilies to set and fetch program information.
ccp4_parse_delimiters
int ccp4_parse_delimiters(CCP4PARSERARRAY *parsePtr, const char *delim, const char *nulldelim)
Definition: ccp4_parser.c:241
ccp4_spacegroup_::nsymop
int nsymop
Definition: ccp4_spg.h:76
html_log_output
int html_log_output(int ihtml_in)
Definition: ccp4_program.c:261
ccp4_spacegroup_
Data structure of a space group descriptor.
Definition: ccp4_spg.h:58
ccp4_utils_isnan
int ccp4_utils_isnan(const union float_uint_uchar *)
Definition: library_utils.c:235
ccp4_lrassn
MTZCOL ** ccp4_lrassn(const MTZ *mtz, const char labels[][31], const int nlabels, char types[][3])
Definition: cmtzlib.c:1424
ccp4RCSDate
char * ccp4RCSDate(const char *rcs_string)
Definition: ccp4_program.c:99
ccp4_spacegroup_::laue_name
char laue_name[20]
Definition: ccp4_spg.h:70
fparse_isblank
int fparse_isblank(const char *line, const int line_len)
Definition: ccp4_parser_f.c:82
cvecmat.h
Declarations of matrix and vector handling functions.
ccp4_file_is_read
int ccp4_file_is_read(const CCP4File *cfile)
Definition: library_file.c:554
ccp4_file_readint
int ccp4_file_readint(CCP4File *cfile, uint8 *buffer, size_t nitems)
Definition: library_file.c:1412
ccp4_file_tell
long ccp4_file_tell(CCP4File *cfile)
Definition: library_file.c:2089
ccp4spg_register_by_symops
void ccp4spg_register_by_symops(int nops, float rsm[][4][4])
Definition: csymlib_f.c:1093
ccp4_spacegroup_::mapasu_zero
float mapasu_zero[3]
Definition: ccp4_spg.h:90
FORTRAN_FUN
FORTRAN_FUN(int, MSKGET, mskget,(float *mask_rot, float *mask_trans),(float *mask_rot, float *mask_trans),(float *mask_rot, float *mask_trans))
Definition: cmaplib_f.c:1974
ccp4spg_generate_indices
void ccp4spg_generate_indices(const CCP4SPG *sp, const int isym, const int hin, const int kin, const int lin, int *hout, int *kout, int *lout)
Definition: csymlib.c:1039
MTZXTAL
Definition: mtzdata.h:75
ccp4f_mem_tidy
void ccp4f_mem_tidy(void)
Definition: ccp4_general_f.c:44
ccp4_cmap_set_symop
int ccp4_cmap_set_symop(CMMFile *mfile, const char *buffer)
Definition: cmap_symop.c:124
ccp4_cmap_get_local_header
size_t ccp4_cmap_get_local_header(CMMFile *mfile)
Definition: cmap_accessor.c:258
ccp4spg_is_in_pm_asu
int ccp4spg_is_in_pm_asu(const CCP4SPG *sp, const int h, const int k, const int l)
Definition: csymlib.c:987
ccp4_lwbat
int ccp4_lwbat(MTZ *mtz, MTZBAT *batch, const int batno, const float *buf, const char *charbuf)
Definition: cmtzlib.c:2377
ccp4_spacegroup_::nsymop_prim
int nsymop_prim
Definition: ccp4_spg.h:77
strtoupper
char * strtoupper(char *str1, const char *str2)
Definition: ccp4_parser.c:1056
MtzNumSourceCol
int MtzNumSourceCol(const MTZ *mtz)
Definition: cmtzlib.c:3761
ccp4_spacegroup_::nlaue
int nlaue
Definition: ccp4_spg.h:69
ccp4_utils_print
void ccp4_utils_print(const char *message)
Definition: library_utils.c:129
ccp4_lhprt_adv
int ccp4_lhprt_adv(const MTZ *mtz, int iprint)
Definition: cmtzlib.c:1880
ccp4_file_itemsize
int ccp4_file_itemsize(const CCP4File *cfile)
Definition: library_file.c:693
MTZRECORDLENGTH
#define MTZRECORDLENGTH
Definition: mtzdata.h:41
ccp4VerbosityLevel
int ccp4VerbosityLevel(int level)
Definition: ccp4_program.c:176
mat4_to_symop
char * mat4_to_symop(char *symchs_begin, char *symchs_end, const float rsm[4][4])
Definition: ccp4_parser.c:1625
MTZCOL::min
float min
Definition: mtzdata.h:57
ccp4_lridx
int ccp4_lridx(const MTZ *mtz, const MTZSET *set, char crystal_name[64], char dataset_name[64], char project_name[64], int *isets, float datcell[6], float *datwave)
Definition: cmtzlib.c:1472
MTZ::mnf
MNF mnf
Definition: mtzdata.h:181
ccp4_file_seek
int ccp4_file_seek(CCP4File *cfile, long offset, int whence)
Definition: library_file.c:2009
ccp4_utils_idate
void ccp4_utils_idate(int iarray[3])
Definition: library_utils.c:581
charmatch
int charmatch(const char character, const char *charlist)
Definition: ccp4_parser.c:1124
ccp4_symop_
Kevin's symmetry operator.
Definition: ccp4_spg.h:48
ccp4spg_print_recip_ops
void ccp4spg_print_recip_ops(const CCP4SPG *sp)
Definition: csymlib.c:1618
ccp4_utils_setenv
int ccp4_utils_setenv(char *)
Definition: library_utils.c:138
FORTRAN_FUN
#define FORTRAN_FUN(val, NAME, name, p_sun, p_stardent, p_mvs)
Definition: ccp4_fortran.h:373
ccp4_cmap_set_spacegroup
void ccp4_cmap_set_spacegroup(CMMFile *mfile, int spacegroup)
Definition: cmap_accessor.c:167
ccp4spg_to_shortname
char * ccp4spg_to_shortname(char *shortname, const char *longname)
Definition: csymlib.c:831
_CMMFile_Stats::rms
double rms
Definition: cmaplib.h:110
ccp4_utils_mkdir
int ccp4_utils_mkdir(const char *, const char *)
Definition: library_utils.c:288
ccp4spg_put_in_asu
int ccp4spg_put_in_asu(const CCP4SPG *sp, const int hin, const int kin, const int lin, int *hout, int *kout, int *lout)
Definition: csymlib.c:1006
ccp4_file_writefloat
int ccp4_file_writefloat(CCP4File *cfile, const uint8 *buffer, size_t nitems)
Definition: library_file.c:1757
CCP4PARSERTOKEN::intdigits
int intdigits
Definition: ccp4_parser.h:134
ccp4_parser.h
Functions to read in and "parse" CCP4-style keyworded input.
ccp4_spacegroup_::symbol_xHM
char symbol_xHM[20]
Definition: ccp4_spg.h:63
ccp4_file_writechar
int ccp4_file_writechar(CCP4File *cfile, const uint8 *buffer, size_t nitems)
Definition: library_file.c:1972
ccp4_file_length
long ccp4_file_length(CCP4File *cfile)
Definition: library_file.c:2055
ccp4_lrreff
int ccp4_lrreff(const MTZ *mtz, float *resol, float adata[], int logmss[], const MTZCOL *lookup[], const int ncols, const int iref)
Definition: cmtzlib.c:1561
ccp4_spacegroup_::symbol_old
char symbol_old[20]
Definition: ccp4_spg.h:64
ccp4_FtoCString
char * ccp4_FtoCString(fpstr str1, int str1_len)
Definition: library_f.c:50
ccp4_parse
int ccp4_parse(const char *line, CCP4PARSERARRAY *parser)
Definition: ccp4_parser.c:411
ccp4_strerror
const char * ccp4_strerror(int)
Definition: library_err.c:190
MtzGet
MTZ * MtzGet(const char *logname, int read_refs)
Definition: cmtzlib.c:69
ccp4spg_mem_tidy
void ccp4spg_mem_tidy(void)
Definition: csymlib_f.c:99
ccp4spg_register_by_ccp4_num
void ccp4spg_register_by_ccp4_num(int numspg)
Definition: csymlib_f.c:1080
symop_to_mat4
const char * symop_to_mat4(const char *symchs_begin, const char *symchs_end, float *rot)
Definition: ccp4_parser.c:1398
ccp4_file_write
int ccp4_file_write(CCP4File *cfile, const uint8 *buffer, size_t nitems)
Definition: library_file.c:1566
ccp4_ismnf
int ccp4_ismnf(const MTZ *mtz, const float datum)
Definition: cmtzlib.c:1651
cmaplib_f.h
Definition of the IOConvMap structure. Apparently not used anywhere (?).
NBATCHREALS
#define NBATCHREALS
Definition: mtzdata.h:46
FORTRAN_SUBR
FORTRAN_SUBR(MTZINI, mtzini,(),(),())
Definition: cmtzlib_f.c:142
ccp4_file_rarch
int ccp4_file_rarch(CCP4File *cfile)
Definition: library_file.c:1053
ccp4_symop_code
int ccp4_symop_code(ccp4_symop op)
Definition: csymlib.c:971
SYMGRP::sym
float sym[192][4][4]
Definition: mtzdata.h:151
ccp4spg_phase_shift
float ccp4spg_phase_shift(const int hin, const int kin, const int lin, const float phasin, const float trans[3], const int isign)
Definition: csymlib.c:1065
MCOLUMNS
#define MCOLUMNS
Definition: mtzdata.h:50
ccp4_cmap_set_origin
void ccp4_cmap_set_origin(CMMFile *mfile, const int *origin)
Definition: cmap_accessor.c:92
ccp4_symop_::trn
float trn[3]
Definition: ccp4_spg.h:51
ccp4_file_readshort
int ccp4_file_readshort(CCP4File *cfile, uint8 *buffer, size_t nitems)
Definition: library_file.c:1472
ccp4_lrsymm
int ccp4_lrsymm(const MTZ *mtz, int *nsymx, float rsymx[192][4][4])
Definition: cmtzlib.c:1306
MTZ
Definition: mtzdata.h:168
MtzInd2reso
float MtzInd2reso(const int in[3], const double coefhkl[6])
Definition: cmtzlib.c:1024
ccp4_sysdep.h
System-dependent definitions.
ccp4_file_writeint
int ccp4_file_writeint(CCP4File *cfile, const uint8 *buffer, size_t nitems)
Definition: library_file.c:1856
CCP4_VERSION_NO
#define CCP4_VERSION_NO
Definition: ccp4_program.h:41
ccp4spg_check_symm_cell
int ccp4spg_check_symm_cell(int nsym, float rsym[][4][4], float cell[6])
Definition: csymlib.c:1949
CCP4PARSERTOKEN::strlength
int strlength
Definition: ccp4_parser.h:132
ccp4uc_calc_rcell
double ccp4uc_calc_rcell(const double cell[6], double rcell[6])
Definition: ccp4_unitcell.c:161
MtzHklcoeffs
int MtzHklcoeffs(const float cell[6], double coefhkl[6])
Definition: cmtzlib.c:1041
ccp4_cmap_get_label
char * ccp4_cmap_get_label(const CMMFile *mfile, int posn)
Definition: cmap_labels.c:136
ccp4_cmap_read_row
int ccp4_cmap_read_row(CMMFile *mfile, void *row)
Definition: cmap_data.c:374
CCP4PARSERTOKEN::fullstring
char * fullstring
Definition: ccp4_parser.h:128
ccp4_licence_exists
int ccp4_licence_exists(const char *name)
Definition: ccp4_program.c:249
ccp4spg_is_centric
int ccp4spg_is_centric(const CCP4SPG *sp, const int h, const int k, const int l)
Definition: csymlib.c:1136
ccp4_cmap_set_mask
int ccp4_cmap_set_mask(CMMFile *mfile, const float *skew_mat, const float *skew_trans)
Definition: cmap_skew.c:31
_CMMFile::axes_order
int axes_order[3]
Definition: cmaplib.h:130
ccp4printf
int ccp4printf(int level, char *format,...)
Definition: ccp4_general.c:182
MTZ::mtzsymm
SYMGRP mtzsymm
Definition: mtzdata.h:182
MTZ::n_orig_bat
int n_orig_bat
Definition: mtzdata.h:178
ccp4_cmap_get_symop
int ccp4_cmap_get_symop(CMMFile *mfile, char *buffer)
Definition: cmap_symop.c:89
_CMMFile::cell
float cell[6]
Definition: cmaplib.h:123
ccp4_lrhist
int ccp4_lrhist(const MTZ *mtz, char history[][MTZRECORDLENGTH], int nlines)
Definition: cmtzlib.c:1107
ccp4_lrcell
int ccp4_lrcell(const MTZXTAL *xtl, float cell[])
Definition: cmtzlib.c:1251
_CMMFile::cell_grid
int cell_grid[3]
Definition: cmaplib.h:129
SIZE1
#define SIZE1
Definition: mtzdata.h:40
CCP4PARSERARRAY::nulldelim
char * nulldelim
Definition: ccp4_parser.h:158
CCP4PARSERARRAY
CCP4 Parser array Construct to hold the information about a parsed line.
Definition: ccp4_parser.h:149
ccp4_file_close
int ccp4_file_close(CCP4File *cfile)
Definition: library_file.c:1025
ccp4_file_warch
int ccp4_file_warch(CCP4File *cfile)
Definition: library_file.c:1102
_CMMFile_Stats::mean
double mean
Definition: cmaplib.h:109
ccp4spg_is_sysabs
int ccp4spg_is_sysabs(const CCP4SPG *sp, const int h, const int k, const int l)
Definition: csymlib.c:1426
float_uint_uchar
Common data structure for floats, ints, and chars.
Definition: ccp4_types.h:44
bathead::title
char title[71]
Definition: mtzdata.h:87
bathead::gonlab
char gonlab[3][9]
Definition: mtzdata.h:88
invert4matrix
float invert4matrix(const float a[4][4], float ai[4][4])
Definition: cvecmat.c:117
ccp4_parse_maxmin
int ccp4_parse_maxmin(CCP4PARSERARRAY *parsePtr, const double max_exponent, const double min_exponent)
Definition: ccp4_parser.c:363
bathead
Definition: mtzdata.h:86
MtzAddHistory
int MtzAddHistory(MTZ *mtz, const char history[][MTZRECORDLENGTH], const int nlines)
Definition: cmtzlib.c:2129
ccp4_prog_vers
char * ccp4_prog_vers(const char *progvers)
Definition: ccp4_program.c:42
ccp4_file_readfloat
int ccp4_file_readfloat(CCP4File *cfile, uint8 *buffer, size_t nitems)
Definition: library_file.c:1316
ccp4_utils_translate_mode_float
int ccp4_utils_translate_mode_float(float *, const void *, int, int)
Definition: library_utils.c:71
FORTRAN_SUBR
FORTRAN_SUBR(SYMTR3, symtr3,(const int *nsm, const float rsm[MAXSYM][4][4], fpstr symchs, const int *iprint, int symchs_len),(const int *nsm, const float rsm[MAXSYM][4][4], fpstr symchs, const int *iprint),(const int *nsm, const float rsm[MAXSYM][4][4], fpstr symchs, int symchs_len, const int *iprint))
Definition: csymlib_f.c:321
ccp4_CtoFString
void ccp4_CtoFString(fpstr str1, int str1_len, const char *cstring)
Definition: library_f.c:71
MtzAssignHKLtoBase
int MtzAssignHKLtoBase(MTZ *mtz)
Definition: cmtzlib.c:2194
MtzMalloc
MTZ * MtzMalloc(int nxtal, int nset[])
Definition: cmtzlib.c:3252
ccp4spg_is_in_asu
int ccp4spg_is_in_asu(const CCP4SPG *sp, const int h, const int k, const int l)
Definition: csymlib.c:993
ccp4_cmap_set_order
void ccp4_cmap_set_order(CMMFile *mfile, const int *axes_order)
Definition: cmap_accessor.c:117
ccp4_file_setmode
int ccp4_file_setmode(CCP4File *cfile, const int mode)
Definition: library_file.c:649
ccp4_errno.h
Header file for error handling routines Error codes based on system errors.
ccp4_cmap_read_section_header
int ccp4_cmap_read_section_header(const CMMFile *mfile, char *header)
Definition: cmap_data.c:198
ccp4spg_print_recip_spgrp
void ccp4spg_print_recip_spgrp(const CCP4SPG *sp)
Definition: csymlib.c:1603
ccp4uc_cells_differ
int ccp4uc_cells_differ(const double cell1[6], const double cell2[6], const double tolerance)
Definition: ccp4_unitcell.c:307
ccp4_cmap_seek_symop
int ccp4_cmap_seek_symop(CMMFile *mfile, int isymop, unsigned int whence)
Definition: cmap_symop.c:40
MtzMallocBatch
MTZBAT * MtzMallocBatch(void)
Definition: cmtzlib.c:3371
strtolower
char * strtolower(char *str1, const char *str2)
Definition: ccp4_parser.c:1076
float_uint_uchar::c
uint8 c[4]
Definition: ccp4_types.h:47
MTZ_MAJOR_VERSN
#define MTZ_MAJOR_VERSN
Definition: mtzdata.h:34
cmtzlib.h
C-level library for input, output and manipulation of MTZ files.
ccp4_cmap_set_mapstats
void ccp4_cmap_set_mapstats(CMMFile *mfile, const float min, const float max, const double mean, const double rms)
Definition: cmap_accessor.c:232
cmap_errno.h
Error codes for the library.
ccp4_file_name
const char * ccp4_file_name(CCP4File *cfile)
Definition: library_file.c:710
CCP4PARSERTOKEN::iend
int iend
Definition: ccp4_parser.h:141
ccp4_cmap_write_section
int ccp4_cmap_write_section(CMMFile *mfile, const void *section)
Definition: cmap_data.c:109
ccp4spg_register_by_symops
void ccp4spg_register_by_symops(int nops, float rsm[][4][4])
Definition: csymlib_f.c:1093
NBATCHWORDS
#define NBATCHWORDS
Definition: mtzdata.h:44
ccp4_file_err.h
Header file with file handling error codes.
ccp4_cmap_set_local_header
void ccp4_cmap_set_local_header(CMMFile *mfile, size_t size)
Definition: cmap_accessor.c:246
ccp4_errno
int ccp4_errno
Definition: library_err.c:33
ccp4spg_get_multiplicity
int ccp4spg_get_multiplicity(const CCP4SPG *sp, const int h, const int k, const int l)
Definition: csymlib.c:1318
ccp4uc_frac_orth_mat
double ccp4uc_frac_orth_mat(const double cell[6], const int ncode, double ro[3][3], double rf[3][3])
Definition: ccp4_unitcell.c:48
MtzParseLabin
int MtzParseLabin(char *labin_line, const char prog_labels[][31], const int nlprgi, char user_labels[][2][31])
Definition: cmtzlib.c:1322
MTZXTAL::nset
int nset
Definition: mtzdata.h:81
MtzSetSortOrder
int MtzSetSortOrder(MTZ *mtz, MTZCOL *colsort[5])
Definition: cmtzlib.c:2119
ccp4_utils_date
char * ccp4_utils_date(char *)
Definition: library_utils.c:597
MtzPrintBatchHeader
int MtzPrintBatchHeader(const MTZBAT *batch)
Definition: cmtzlib.c:1961
ccp4_lhprt
int ccp4_lhprt(const MTZ *mtz, int iprint)
Definition: cmtzlib.c:1662
CCP4PARSERARRAY::keyword
char keyword[5]
Definition: ccp4_parser.h:151
MtzResLimits
int MtzResLimits(const MTZ *mtz, float *minres, float *maxres)
Definition: cmtzlib.c:1262
MTZCOL::source
unsigned int source
Definition: mtzdata.h:56
bathead::next
struct bathead * next
Definition: mtzdata.h:144
ccp4_lwrefl
int ccp4_lwrefl(MTZ *mtz, const float adata[], MTZCOL *lookup[], const int ncol, const int iref)
Definition: cmtzlib.c:2483
ccp4_spacegroup_::spg_num
int spg_num
Definition: ccp4_spg.h:60
ccp4_cmap_set_label
int ccp4_cmap_set_label(CMMFile *mfile, const char *label, int posn)
Definition: cmap_labels.c:84
ccp4_parse_end
int ccp4_parse_end(CCP4PARSERARRAY *parsePtr)
Definition: ccp4_parser.c:143
ccp4spg_centric_phase
float ccp4spg_centric_phase(const CCP4SPG *sp, const int h, const int k, const int l)
Definition: csymlib.c:1187
symfr_driver
int symfr_driver(const char *line, float rot[][4][4])
ccp4_cmap_get_origin
void ccp4_cmap_get_origin(const CMMFile *mfile, int *origin)
Definition: cmap_accessor.c:81
CCP4PARSERARRAY::ntokens
int ntokens
Definition: ccp4_parser.h:152
fparse_populate_arrays
int fparse_populate_arrays(CCP4PARSERARRAY *parser, int *ibeg, int *iend, int *ityp, float *fvalue, fpstr cvalue, int cvalue_len, int *idec)
Definition: ccp4_parser_f.c:124
set_fft_grid
void set_fft_grid(CCP4SPG *sp, const int nxmin, const int nymin, const int nzmin, const float sample, int *nx, int *ny, int *nz)
Definition: csymlib.c:1764
ccp4_file_feof
int ccp4_file_feof(CCP4File *cfile)
Definition: library_file.c:2124
ccp4spg_load_by_ccp4_spgname
CCP4SPG * ccp4spg_load_by_ccp4_spgname(const char *ccp4spgname)
Definition: csymlib.c:64
ccp4_file_writecomp
int ccp4_file_writecomp(CCP4File *cfile, const uint8 *buffer, size_t nitems)
Definition: library_file.c:1589
MtzSetLookup
MTZSET * MtzSetLookup(const MTZ *mtz, const char *label)
Definition: cmtzlib.c:3893
_CCP4IObj
Definition: ccp4_diskio_f.c:74
MtzAssignColumn
int MtzAssignColumn(MTZ *mtz, MTZCOL *col, const char crystal_name[], const char dataset_name[])
Definition: cmtzlib.c:2221
NBATCHINTEGERS
#define NBATCHINTEGERS
Definition: mtzdata.h:45
ccp4_lrsort
int ccp4_lrsort(const MTZ *mtz, int isort[5])
Definition: cmtzlib.c:1123
MIN
#define MIN(x, y)
A macro that returns the minimum of x and y.
Definition: ccp4_types.h:110
ccp4spg_print_epsilon_zones
void ccp4spg_print_epsilon_zones(const CCP4SPG *sp)
Definition: csymlib.c:1371
ccp4_symop_::rot
float rot[3][3]
Definition: ccp4_spg.h:50
ccp4uc_orth_to_frac
void ccp4uc_orth_to_frac(const double rf[3][3], const double xo[3], double xf[3])
Definition: ccp4_unitcell.c:206
MtzOpenForWrite
CCP4File * MtzOpenForWrite(const char *logname)
Definition: cmtzlib.c:3097
MtzFree
int MtzFree(MTZ *mtz)
Definition: cmtzlib.c:3321
fparse_delimiters
int fparse_delimiters(CCP4PARSERARRAY *parser, char *new_delimiters, char *new_nulldelimiters)
Definition: ccp4_parser_f.c:232
ccp4_cmap_get_dim
void ccp4_cmap_get_dim(const CMMFile *mfile, int *map_dim)
Definition: cmap_accessor.c:129
rotandtrn_to_symop
char * rotandtrn_to_symop(char *symchs_begin, char *symchs_end, const ccp4_symop symop)
Definition: ccp4_parser.c:1587
ccp4spg_name_de_colon
void ccp4spg_name_de_colon(char *name)
Definition: csymlib.c:862
ccp4_utils_realloc
void * ccp4_utils_realloc(void *, size_t)
Definition: library_utils.c:416
MtzArrayToBatch
int MtzArrayToBatch(const int *intbuf, const float *fltbuf, MTZBAT *batch)
Definition: cmtzlib.c:913
ccp4_cmap_set_dim
void ccp4_cmap_set_dim(CMMFile *mfile, const int *map_dim)
Definition: cmap_accessor.c:142