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


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