39 #ifndef CCP4SRS_INDEX_H
40 #define CCP4SRS_INDEX_H
65 int write ( mmdb::io::RFile f,
int version, PMemIO memIO=NULL );
66 int read ( mmdb::io::RFile f,
int version, PMemIO memIO=NULL );
72 virtual void write_mem ( PMemIO memIO,
int version );
73 virtual bool read_mem ( PMemIO memIO,
int version,
81 #endif // CCP4SRS_INDEX_H
int nAtoms
number of atoms in the entry
Definition: ccp4srs_index.h:52
int nBonds
number of bonds in the entry
Definition: ccp4srs_index.h:54
long fGraphPos
file offset for CGraph
Definition: ccp4srs_index.h:55
mmdb::pstr Comp1
composition string
Definition: ccp4srs_index.h:57
int nNonHAtoms
number of non-hydrogen atoms in the entry
Definition: ccp4srs_index.h:53
mmdb::ResName entryID
monomer or link ID
Definition: ccp4srs_index.h:51
mmdb::pstr Comp2
composition string with leaving atom
Definition: ccp4srs_index.h:58
void IndexInit()
Definition: ccp4srs_index.cpp:55
int read(mmdb::io::RFile f, int version, PMemIO memIO=NULL)
Definition: ccp4srs_index.cpp:151
Index()
Definition: ccp4srs_index.cpp:46
Definition: ccp4srs_angle.cpp:42
virtual void write_mem(PMemIO memIO, int version)
Definition: ccp4srs_index.cpp:171
int write(mmdb::io::RFile f, int version, PMemIO memIO=NULL)
Definition: ccp4srs_index.cpp:134
int MakeCompositions(PMonomer monomer)
Definition: ccp4srs_index.cpp:66
virtual ~Index()
Definition: ccp4srs_index.cpp:50
virtual bool read_mem(PMemIO memIO, int version, bool *Ok=NULL)
Definition: ccp4srs_index.cpp:185
Definition: ccp4srs_index.h:48
long fStructPos
file offset for CCP4SRSMonomer
Definition: ccp4srs_index.h:56