mtzdata.h File Reference

Definition of MTZ data structure. More...

Go to the source code of this file.

Classes
struct	MTZCOL
	MTZ column descriptor. More...
struct	MTZSET
	Structure describing an MTZ dataset. More...
struct	MTZXTAL
	Structure describing an MTZ crystal. More...
struct	bathead
	MTZ batch descriptor. More...
struct	SYMGRP
	Symmetry structure. More...
union	MNF
	Missing number flag for the MTZ data structure. More...
struct	MTZ
	Top level MTZ structure, including crystal, symmetry and batch information. More...
Defines
#define	MTZVERSN   "MTZ:V1.1"
#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

---

Define Documentation

#define MAXSPGNAMELENGTH   20

max length of a spacegroup name

Referenced by ccp4_lwsymm(), and MtzPut().

#define MCOLUMNS   10000

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

Referenced by ccp4_lwrefl(), MtzAddColumn(), MtzGet(), and MtzPut().

#define MSETS   1000

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

Referenced by MtzGet().

#define MTZRECORDLENGTH   80

length of records

Referenced by ccp4_lhprt(), ccp4_lhprt_adv(), MtzCallocHist(), MtzGet(), MtzPut(), and MtzWhdrLine().

#define MTZVERSN   "MTZ:V1.1"

traditional version number!

Referenced by MtzPut().

#define MXTALS   100

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

Referenced by MtzGet().

#define NBATCHINTEGERS   29

size of integer section of batch header buffer

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

#define NBATCHREALS   156

size of float section of batch header buffer

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

#define NBATCHWORDS   185

total size of batch header buffer

Referenced by ccp4_lrbat(), MtzGet(), and MtzPut().

#define SIZE1   20

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

Referenced by MtzGet(), MtzOpenForWrite(), and MtzPut().

---

Typedef Documentation

typedef struct bathead MTZBAT

type name for struct bathead