gpp4  1.3.1
Classes | Macros | Typedefs
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

#define CCP4_MTZDATA   20100630

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

#define MAXSPGNAMELENGTH   20

max length of a spacegroup name

Referenced by ccp4_lwsymm_c(), and MtzPut().

#define MCOLUMNS   10000

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

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

#define MSETS   1000

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

Referenced by MtzGetUserCellTolerance().

#define MTZ_MAJOR_VERSN   1

MTZ file major version - keep to single digit

Referenced by FORTRAN_SUBR(), MtzGetUserCellTolerance(), and MtzPut().

#define MTZ_MINOR_VERSN   1

MTZ file minor version - keep to single digit

Referenced by FORTRAN_SUBR(), MtzGetUserCellTolerance(), and MtzPut().

#define MTZRECORDLENGTH   80
#define MTZVERSN   "MTZ:V1.1"

traditional version number!

#define MXTALS   100

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

Referenced by MtzGetUserCellTolerance().

#define NBATCHINTEGERS   29

size of integer section of batch header buffer

Referenced by ccp4_lrbat(), ccp4_lwbat(), FORTRAN_SUBR(), MtzBatchToArray(), MtzGetUserCellTolerance(), and MtzPut().

#define NBATCHREALS   156

size of float section of batch header buffer

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

#define NBATCHWORDS   185

total size of batch header buffer

Referenced by ccp4_lrbat(), FORTRAN_SUBR(), MtzGetUserCellTolerance(), and MtzPut().

#define SIZE1   20

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

Referenced by MtzGetUserCellTolerance(), MtzOpenForWrite(), MtzPut(), and MtzRewdInput().

Typedef Documentation

typedef struct bathead MTZBAT

MTZ batch struct.