mmcifdispatch.h File Reference

Public types and prototypes for the PDBx/mmCIF UDF dispatch layer. More...

#include "config.h"
#include "ncdispatch.h"
#include "nep.h"

Go to the source code of this file.

Data Structures
struct	NC_MMCIF_FILE_INFO

Macros
#define	NC_FORMATX_NC_MMCIF   NC_FORMATX_UDF0
#define	MMCIF_ATOM_ID_LEN   8
#define	MMCIF_COMP_ID_LEN   8
#define	MMCIF_ASYM_ID_LEN   4
#define	MMCIF_TYPE_SYMBOL_LEN   4
#define	MMCIF_GROUP_LEN   6

Typedefs
typedef struct NC_MMCIF_FILE_INFO	NC_MMCIF_FILE_INFO_T

Functions
int	NC_MMCIF_open (const char *path, int mode, int basepe, size_t *chunksizehintp, void *parameters, const NC_Dispatch *, int)
int	NC_MMCIF_abort (int ncid)
int	NC_MMCIF_close (int ncid, void *ignore)
int	NC_MMCIF_inq_format (int ncid, int *formatp)
int	NC_MMCIF_inq_format_extended (int ncid, int *formatp, int *modep)
int	NC_MMCIF_get_vara (int ncid, int varid, const size_t *start, const size_t *count, void *value, nc_type)
NC_Dispatch *	NC_MMCIF_initialize (void)
int	NC_MMCIF_finalize (void)

Variables
const NC_Dispatch *	MMCIF_dispatch_table

Detailed Description

Public types and prototypes for the PDBx/mmCIF UDF dispatch layer.

Author

Edward Hartnett

Date

2026-08-01

Copyright

Intelligent Data Design, Inc. All rights reserved.

Macro Definition Documentation

MMCIF_ASYM_ID_LEN

#define MMCIF_ASYM_ID_LEN   4

Max length of the atom_site_auth_asym_id string field.

MMCIF_ATOM_ID_LEN

#define MMCIF_ATOM_ID_LEN   8

Max length of the atom_site_label_atom_id string field.

MMCIF_COMP_ID_LEN

#define MMCIF_COMP_ID_LEN   8

Max length of the atom_site_label_comp_id string field.

MMCIF_GROUP_LEN

#define MMCIF_GROUP_LEN   6

Max length of the atom_site_group_PDB string field.

MMCIF_TYPE_SYMBOL_LEN

#define MMCIF_TYPE_SYMBOL_LEN   4

Max length of the atom_site_type_symbol string field.

NC_FORMATX_NC_MMCIF

#define NC_FORMATX_NC_MMCIF   NC_FORMATX_UDF0

PDBx/mmCIF format uses UDF8 slot for dispatch table model field (see nep.h for slot allocation)

Typedef Documentation

NC_MMCIF_FILE_INFO_T

typedef struct NC_MMCIF_FILE_INFO NC_MMCIF_FILE_INFO_T

Per-file PDBx/mmCIF state.

V3.4.0 Sprint 2: the parsed in-memory representation of an mmCIF file. Coordinate and per-atom data (from the _atom_site loop) are stored in flat arrays sized nmodels * natoms. String attributes (from single-row categories like _entry, _struct, _cell, _symmetry, _pdbx_database_status) are owned by this struct and freed on close.

Function Documentation

NC_MMCIF_abort()

int NC_MMCIF_abort ( int  ncid )

extern

NC_MMCIF_close()

int NC_MMCIF_close ( int  ncid, void *  ignore  )

extern

NC_MMCIF_finalize()

int NC_MMCIF_finalize ( void  )

extern

NC_MMCIF_get_vara()

int NC_MMCIF_get_vara ( int  ncid, int  varid, const size_t *  start, const size_t *  count, void *  value, nc_type    )

extern

NC_MMCIF_initialize()

NC_Dispatch * NC_MMCIF_initialize ( void  )

extern

NC_MMCIF_inq_format()

int NC_MMCIF_inq_format ( int  ncid, int *  formatp  )

extern

NC_MMCIF_inq_format_extended()

int NC_MMCIF_inq_format_extended ( int  ncid, int *  formatp, int *  modep  )

extern

NC_MMCIF_open()

int NC_MMCIF_open ( const char *  path, int  mode, int  basepe, size_t *  chunksizehintp, void *  parameters, const NC_Dispatch *  , int    )

extern

Variable Documentation

MMCIF_dispatch_table

const NC_Dispatch* MMCIF_dispatch_table

extern