39 #ifndef CCP4SRS_PLANE_H
40 #define CCP4SRS_PLANE_H
64 inline mmdb::realtype
esd (
int atomNo ) {
return dist_esd [atomNo]; }
66 static void makeCIFTags ( mmdb::mmcif::PLoop mmCIFLoop );
67 int readFromCIF ( mmdb::mmcif::PLoop mmCIFLoop,
int planeNo,
69 void writeToCIF ( mmdb::mmcif::PLoop mmCIFLoop, mmdb::cpstr monID,
72 void write_mem ( PMemIO memIO,
int version );
73 bool read_mem ( PMemIO memIO,
int version,
bool *
Ok = NULL );
75 void copy ( PPlane plane, mmdb::ivector anmatch=NULL );
89 #endif // CCP4SRS_PLANE_H
void empty()
Definition: ccp4srs_plane.cpp:57
bool read_mem(PMemIO memIO, int version, bool *Ok=NULL)
Definition: ccp4srs_plane.cpp:181
char PlaneID[20]
Definition: ccp4srs_plane.h:48
mmdb::realtype esd(int atomNo)
Definition: ccp4srs_plane.h:64
mmdb::rvector esds()
Definition: ccp4srs_plane.h:62
static void makeCIFTags(mmdb::mmcif::PLoop mmCIFLoop)
Definition: ccp4srs_plane.cpp:64
mmdb::ivector atoms()
Definition: ccp4srs_plane.h:61
mmdb::ivector plane_atoms
vector of plain's atom names
Definition: ccp4srs_plane.h:80
Plane()
Definition: ccp4srs_plane.cpp:46
int readFromCIF(mmdb::mmcif::PLoop mmCIFLoop, int planeNo, Container< Atom > &atoms)
Definition: ccp4srs_plane.cpp:71
void writeToCIF(mmdb::mmcif::PLoop mmCIFLoop, mmdb::cpstr monID, Container< Atom > &atoms)
Definition: ccp4srs_plane.cpp:132
Definition: ccp4srs_plane.h:54
void copy(PPlane plane, mmdb::ivector anmatch=NULL)
Definition: ccp4srs_plane.cpp:145
Definition: ccp4srs_plane.h:54
mmdb::rvector dist_esd
vector of distance esds from the plane
Definition: ccp4srs_plane.h:81
Definition: ccp4srs_plane.h:54
int n_atoms
plane size
Definition: ccp4srs_plane.h:79
Definition: ccp4srs_plane.h:50
Definition: ccp4srs_angle.cpp:42
void write_mem(PMemIO memIO, int version)
Definition: ccp4srs_plane.cpp:170
Definition: ccp4srs_container.h:48
int size()
Definition: ccp4srs_plane.h:60
virtual ~Plane()
Definition: ccp4srs_plane.cpp:53
mmdb::cpstr id()
Definition: ccp4srs_plane.h:59
int atom(int atomNo)
Definition: ccp4srs_plane.h:63
PlaneID plane_id
plane id
Definition: ccp4srs_plane.h:78