Chemical Data Processing Library C++ API - Version 1.1.1
|
A datastructure for the storage of imported PDB data records (see [CTFILE]). More...
#include <PDBData.hpp>
Public Types | |
enum | RecordType { HEADER, OBSLTE, TITLE, SPLIT, CAVEAT, COMPND, SOURCE, KEYWDS, EXPDTA, AUTHOR, REVDAT, SPRSDE, JRNL, REMARK, DBREF, DBREF1, DBREF2, SEQADV, SEQRES, MODRES, HET, FORMUL, HETNAM, HETSYN, HELIX, SHEET, TURN, SSBOND, LINK, CISPEP, SITE, CRYST1, MTRIX1, MTRIX2, MTRIX3, ORIGX1, ORIGX2, ORIGX3, SCALE1, SCALE2, SCALE3, STRUCTURE_ID, DEPOSITION_DATE, RESOLUTION } |
typedef std::shared_ptr< PDBData > | SharedPointer |
typedef TypeToDataMap::value_type | Record |
typedef TypeToDataMap::const_iterator | ConstRecordIterator |
typedef TypeToDataMap::iterator | RecordIterator |
Public Member Functions | |
PDBData () | |
PDBData (const PDBData &other) | |
void | clear () |
std::size_t | getNumRecords () const |
bool | isEmpty () const |
bool | containsRecord (const RecordType &type) const |
RecordIterator | getRecord (const RecordType &type) |
ConstRecordIterator | getRecord (const RecordType &type) const |
std::string & | getData (const RecordType &type) |
const std::string & | getData (const RecordType &type) const |
void | removeRecord (const RecordIterator &it) |
bool | removeRecord (const RecordType &type) |
RecordIterator | setRecord (const Record &rec) |
RecordIterator | setRecord (const RecordType &type, const std::string &data) |
ConstRecordIterator | getRecordsBegin () const |
RecordIterator | getRecordsBegin () |
ConstRecordIterator | getRecordsEnd () const |
RecordIterator | getRecordsEnd () |
ConstRecordIterator | begin () const |
RecordIterator | begin () |
ConstRecordIterator | end () const |
RecordIterator | end () |
A datastructure for the storage of imported PDB data records (see [CTFILE]).
typedef std::shared_ptr<PDBData> CDPL::Biomol::PDBData::SharedPointer |
typedef TypeToDataMap::value_type CDPL::Biomol::PDBData::Record |
typedef TypeToDataMap::const_iterator CDPL::Biomol::PDBData::ConstRecordIterator |
typedef TypeToDataMap::iterator CDPL::Biomol::PDBData::RecordIterator |
|
inline |
|
inline |
void CDPL::Biomol::PDBData::clear | ( | ) |
std::size_t CDPL::Biomol::PDBData::getNumRecords | ( | ) | const |
bool CDPL::Biomol::PDBData::isEmpty | ( | ) | const |
bool CDPL::Biomol::PDBData::containsRecord | ( | const RecordType & | type | ) | const |
RecordIterator CDPL::Biomol::PDBData::getRecord | ( | const RecordType & | type | ) |
ConstRecordIterator CDPL::Biomol::PDBData::getRecord | ( | const RecordType & | type | ) | const |
std::string& CDPL::Biomol::PDBData::getData | ( | const RecordType & | type | ) |
const std::string& CDPL::Biomol::PDBData::getData | ( | const RecordType & | type | ) | const |
void CDPL::Biomol::PDBData::removeRecord | ( | const RecordIterator & | it | ) |
bool CDPL::Biomol::PDBData::removeRecord | ( | const RecordType & | type | ) |
RecordIterator CDPL::Biomol::PDBData::setRecord | ( | const Record & | rec | ) |
RecordIterator CDPL::Biomol::PDBData::setRecord | ( | const RecordType & | type, |
const std::string & | data | ||
) |
ConstRecordIterator CDPL::Biomol::PDBData::getRecordsBegin | ( | ) | const |
RecordIterator CDPL::Biomol::PDBData::getRecordsBegin | ( | ) |
ConstRecordIterator CDPL::Biomol::PDBData::getRecordsEnd | ( | ) | const |
RecordIterator CDPL::Biomol::PDBData::getRecordsEnd | ( | ) |
ConstRecordIterator CDPL::Biomol::PDBData::begin | ( | ) | const |
RecordIterator CDPL::Biomol::PDBData::begin | ( | ) |
ConstRecordIterator CDPL::Biomol::PDBData::end | ( | ) | const |
RecordIterator CDPL::Biomol::PDBData::end | ( | ) |