gpp4
1.3.1
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#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] |
char * | xml |
char * | unknown_headers |
int | n_unknown_headers |
Top level of MTZ struct.
MTZBAT* MTZ::batch |
first batch header
Referenced by ccp4_lrbats(), ccp4_lwbat(), MtzFree(), MtzNbat(), and MtzNbatchesInSet().
CCP4File* MTZ::filein |
file for reading
Referenced by MtzDebugHierarchy(), MtzFree(), and MtzRewdInput().
CCP4File* MTZ::fileout |
file for writing
Referenced by MtzDebugHierarchy(), and MtzFree().
char* MTZ::hist |
history of mtz file
Referenced by ccp4_lhprt(), ccp4_lrhist(), MtzAddHistory(), and MtzFree().
int MTZ::histlines |
number of lines in hist
Referenced by ccp4_lhprt(), ccp4_lrhist(), and MtzAddHistory().
MNF MTZ::mnf |
value of missing number flag
Referenced by ccp4_ismnf(), and ccp4_lhprt().
SYMGRP MTZ::mtzsymm |
symmetry information
Referenced by ccp4_lhprt(), ccp4_lrsymi_c(), ccp4_lrsymm(), ccp4_lwsymconf(), ccp4_lwsymm_c(), and MtzSpacegroupNumber().
int MTZ::n_orig_bat |
original number of batches
Referenced by ccp4_lhprt(), ccp4_lrbats(), ccp4_lwbat(), and MtzNbatchesInSet().
int MTZ::n_unknown_headers |
unknown header data
int MTZ::ncol_read |
number of columns from file
int MTZ::nref |
total number of reflections
Referenced by ccp4_lhprt(), MtzAddColumn(), MtzDeleteRefl(), and MtzNref().
int MTZ::nref_filein |
number of reflections from input file
int MTZ::nxtal |
number of crystals
Referenced by ccp4_lhprt(), ccp4_lrsort(), MtzAssignHKLtoBase(), MtzColLookup(), MtzColSet(), MtzDebugHierarchy(), MtzDeleteRefl(), MtzFindInd(), MtzFree(), MtzListColumn(), MtzListInputColumn(), MtzNcol(), MtzNset(), MtzNumActiveCol(), MtzNumActiveSet(), MtzNumActiveXtal(), MtzNumSourceCol(), MtzNxtal(), MtzResLimits(), MtzSetLookup(), MtzSetXtal(), and MtzXtalLookup().
MTZCOL* MTZ::order[5] |
sort order
Referenced by ccp4_lrsort(), and MtzSetSortOrder().
int MTZ::refs_in_memory |
whether reflections are held in memory
Referenced by MtzAddColumn(), and MtzDeleteRefl().
float MTZ::resmax_out |
output file max res
Referenced by ccp4_lhprt().
float MTZ::resmin_out |
output file min res
Referenced by ccp4_lhprt().
char MTZ::title[71] |
title of mtz structure
Referenced by ccp4_lhprt(), ccp4_lrtitl(), and ccp4_lwtitl().
char* MTZ::unknown_headers |
unknown header data
Referenced by MtzFree().
char* MTZ::xml |
xml data block
Referenced by MtzFree().
MTZXTAL** MTZ::xtal |
crystals
Referenced by ccp4_lhprt(), ccp4_lrsort(), MtzAssignHKLtoBase(), MtzColLookup(), MtzColSet(), MtzDebugHierarchy(), MtzDeleteRefl(), MtzFindInd(), MtzFree(), MtzIxtal(), MtzListColumn(), MtzListInputColumn(), MtzNcol(), MtzNset(), MtzNumActiveCol(), MtzNumActiveSet(), MtzNumActiveXtal(), MtzNumSourceCol(), MtzResLimits(), MtzSetLookup(), MtzSetXtal(), MtzXtalLookup(), and MtzXtals().