#include <mtzdata.h>
Public Attributes | |
CCP4File * | filein |
CCP4File * | fileout |
char | title [71] |
char * | hist |
int | histlines |
int | nxtal |
int | ncol_read |
int | nref |
int | nref_filein |
int | refs_in_memory |
int | n_orig_bat |
float | resmax_out |
float | resmin_out |
MNF | mnf |
SYMGRP | mtzsymm |
MTZXTAL ** | xtal |
MTZBAT * | batch |
MTZCOL * | order [5] |
file for reading
Referenced by ccp4_lrreff(), ccp4_lrrefl(), MtzDebugHierarchy(), MtzFree(), MtzGet(), and MtzMalloc().
file for writing
Referenced by ccp4_lwrefl(), MtzDebugHierarchy(), MtzFree(), MtzMalloc(), and MtzPut().
char MTZ::title[71] |
title of mtz structure
Referenced by ccp4_lhprt(), ccp4_lhprt_adv(), ccp4_lrtitl(), ccp4_lwtitl(), MtzGet(), MtzMalloc(), and MtzPut().
char* MTZ::hist |
history of mtz file
Referenced by ccp4_lhprt(), ccp4_lhprt_adv(), ccp4_lrhist(), MtzAddHistory(), MtzFree(), MtzGet(), MtzMalloc(), and MtzPut().
int MTZ::histlines |
number of lines in hist
Referenced by ccp4_lhprt(), ccp4_lhprt_adv(), ccp4_lrhist(), MtzAddHistory(), MtzGet(), MtzMalloc(), and MtzPut().
int MTZ::nxtal |
number of crystals
Referenced by ccp4_lhprt(), ccp4_lhprt_adv(), ccp4_lrreff(), ccp4_lrrefl(), ccp4_lrsort(), ccp4_lwassn(), ccp4_lwrefl(), MtzAddDataset(), MtzAddXtal(), MtzAssignHKLtoBase(), MtzColLookup(), MtzColSet(), MtzDebugHierarchy(), MtzDeleteRefl(), MtzFindInd(), MtzFree(), MtzGet(), MtzListColumn(), MtzListInputColumn(), MtzMalloc(), MtzNcol(), MtzNset(), MtzNumActiveCol(), MtzNumActiveSet(), MtzNumActiveXtal(), MtzNumSourceCol(), MtzNxtal(), MtzPut(), MtzResLimits(), MtzSetLookup(), MtzSetXtal(), and MtzXtalLookup().
int MTZ::ncol_read |
number of columns from file
Referenced by ccp4_lrreff(), ccp4_lrrefl(), MtzGet(), and MtzMalloc().
int MTZ::nref |
total number of reflections
Referenced by ccp4_lhprt(), ccp4_lhprt_adv(), ccp4_lwrefl(), MtzAddColumn(), MtzDeleteRefl(), MtzGet(), MtzMalloc(), MtzNref(), and MtzPut().
int MTZ::nref_filein |
number of reflections from input file
Referenced by ccp4_lrreff(), ccp4_lrrefl(), MtzGet(), and MtzMalloc().
whether reflections are held in memory
Referenced by ccp4_lrreff(), ccp4_lrrefl(), ccp4_lwrefl(), MtzAddColumn(), MtzDeleteRefl(), MtzGet(), MtzMalloc(), MtzMallocCol(), and MtzPut().
int MTZ::n_orig_bat |
original number of batches
Referenced by ccp4_lhprt(), ccp4_lrbats(), ccp4_lwbat(), MtzFree(), MtzGet(), MtzMalloc(), MtzNbatchesInSet(), and MtzPut().
float MTZ::resmax_out |
output file max res
Referenced by ccp4_lwrefl(), MtzMalloc(), and MtzPut().
float MTZ::resmin_out |
output file min res
Referenced by ccp4_lwrefl(), MtzMalloc(), and MtzPut().
value of missing number flag
Referenced by ccp4_ismnf(), ccp4_lhprt(), ccp4_lhprt_adv(), ccp4_lrreff(), MtzAddColumn(), MtzGet(), MtzMalloc(), and MtzPut().
symmetry information
Referenced by ccp4_lhprt(), ccp4_lhprt_adv(), ccp4_lrsymi(), ccp4_lrsymm(), ccp4_lwsymm(), MtzGet(), MtzMalloc(), MtzPut(), and MtzSpacegroupNumber().
crystals
Referenced by ccp4_lhprt(), ccp4_lhprt_adv(), ccp4_lrreff(), ccp4_lrrefl(), ccp4_lrsort(), ccp4_lwassn(), ccp4_lwrefl(), MtzAddDataset(), MtzAddXtal(), MtzAssignHKLtoBase(), MtzColLookup(), MtzColSet(), MtzDebugHierarchy(), MtzDeleteRefl(), MtzFindInd(), MtzFree(), MtzGet(), MtzIxtal(), MtzListColumn(), MtzListInputColumn(), MtzMalloc(), MtzNcol(), MtzNset(), MtzNumActiveCol(), MtzNumActiveSet(), MtzNumActiveXtal(), MtzNumSourceCol(), MtzPut(), MtzResLimits(), MtzSetLookup(), MtzSetXtal(), MtzXtalLookup(), and MtzXtals().
first batch header
Referenced by ccp4_lrbats(), ccp4_lwbat(), MtzFree(), MtzGet(), MtzMalloc(), MtzNbat(), MtzNbatchesInSet(), and MtzPut().
MTZCOL* MTZ::order[5] |
sort order
Referenced by ccp4_lrsort(), MtzGet(), MtzMalloc(), and MtzSetSortOrder().