mtzdata.h File Reference

Definition of MTZ data structure. More...

Go to the source code of this file.

Classes
struct	MTZCOL
struct	MTZSET
struct	MTZXTAL
struct	bathead
struct	SYMGRP
union	MNF
struct	MTZ

Macros
#define	MTZVERSN   "MTZ:V1.1"
#define	MTZ_MAJOR_VERSN   1
#define	MTZ_MINOR_VERSN   1
#define	CCP4_MTZDATA   20100630
#define	SIZE1   20
#define	MTZRECORDLENGTH   80
#define	MAXSPGNAMELENGTH   20
#define	NBATCHWORDS   185
#define	NBATCHINTEGERS   29
#define	NBATCHREALS   156
#define	MXTALS   100
#define	MSETS   1000
#define	MCOLUMNS   10000

Typedefs
typedef struct bathead	MTZBAT

Detailed Description

Definition of MTZ data structure.

The file defines a hierarchy of structs which hold the MTZ data structure.

Author

Martyn Winn

Macro Definition Documentation

CCP4_MTZDATA

#define CCP4_MTZDATA   20100630

Date stamp for the cmtz data structure (update if there are changes to the structs in this file)

MAXSPGNAMELENGTH

#define MAXSPGNAMELENGTH   20

max length of a spacegroup name

Referenced by ccp4_lwsymm_c(), and MtzPut().

MCOLUMNS

#define MCOLUMNS   10000

maximum number of columns (for a few arrays - to be removed!)

Referenced by ccp4_lwrefl(), MtzAddColumn(), and MtzGetUserCellTolerance().

MSETS

#define MSETS   1000

maximum number of datasets (for a few arrays - to be removed!)

Referenced by MtzGetUserCellTolerance().

MTZ_MAJOR_VERSN

#define MTZ_MAJOR_VERSN   1

MTZ file major version - keep to single digit

MTZ_MINOR_VERSN

#define MTZ_MINOR_VERSN   1

MTZ file minor version - keep to single digit

MTZRECORDLENGTH

#define MTZRECORDLENGTH   80

length of records

Referenced by ccp4_lhprt(), ccp4_lhprt_adv(), MtzAddHistory(), MtzCallocHist(), and MtzGetUserCellTolerance().

MTZVERSN

#define MTZVERSN   "MTZ:V1.1"

traditional version number!

MXTALS

#define MXTALS   100

maximum number of crystals (for a few arrays - to be removed!)

Referenced by MtzGetUserCellTolerance().

NBATCHINTEGERS

#define NBATCHINTEGERS   29

size of integer section of batch header buffer

Referenced by ccp4_lrbat(), ccp4_lwbat(), and MtzBatchToArray().

NBATCHREALS

#define NBATCHREALS   156

size of float section of batch header buffer

Referenced by ccp4_lrbat(), and MtzBatchToArray().

NBATCHWORDS

#define NBATCHWORDS   185

total size of batch header buffer

Referenced by ccp4_lrbat(), and FORTRAN_SUBR().

SIZE1

#define SIZE1   20

defines for sizes in MTZ structure size of pre-reflection block

Referenced by MtzRewdInput().

Typedef Documentation

MTZBAT

typedef struct bathead MTZBAT

MTZ batch struct.