#include <BALL/FORMAT/PDBInfo.h>
Public Member Functions | |
Constructors and Destructor | |
| PDBInfo () | |
| PDBInfo (const PDBInfo &pdbi) | |
| virtual | ~PDBInfo () |
| virtual void | clear () |
| Reset all attributes to their initial state. | |
| PDBInfo & | operator= (const PDBInfo &rhs) |
| bool | operator== (const PDBInfo &rhs) const |
| Equality operator. | |
| bool | operator!= (const PDBInfo &rhs) const |
| Inequality operator. | |
| PDBRecords & | getSkippedRecords () |
| Return the unparsed records. | |
| const PDBRecords & | getSkippedRecords () const |
| Return the unparsed records. | |
| PDBRecords & | getInvalidRecords () |
| Return the unparsed records. | |
| const PDBRecords & | getInvalidRecords () const |
| Return the unparsed records. | |
| const String & | getFilename () const |
| Return the filename. | |
| void | setFilename (const String &filename) |
| Set the filename. | |
| const String & | getID () const |
| Return the PDB ID. | |
| void | setID (const String &id) |
| Set the PDB ID. | |
| Size | getNumberOfRecords () const |
| Return the total number of records read. | |
| void | setNumberOfRecords (Size n) |
| Set the number of records. | |
| Size | getNumberOfModels () const |
| Return the number of models. | |
| Size & | getNumberOfModels () |
| Return the number of models. | |
| void | setNumberOfModels (Size n) |
| Set the number of models. | |
| Position | getCurrentModel () const |
| Return the number of the last model read. | |
| Position & | getCurentModel () |
| Return the number of the last model read. | |
| void | setCurrentModel (Position n) |
| Set the number of the model read. | |
| Size | getNumberOfATOMRecords () const |
| Return the number of atom records read. | |
| Size & | getNumberOfATOMRecords () |
| Return the number of atom records read. | |
| void | setNumberOfATOMRecords (Size n) |
| Set the number of atom records read. | |
| Size | getNumberOfHETATMRecords () const |
| Return the number of hetatm records read. | |
| Size & | getNumberOfHETATMRecords () |
| Return the number of hetatm records read. | |
| void | setNumberOfHETATMRecords (Size n) |
| Set the number of hetatm records read. | |
| const String & | getName () const |
| Return the name of the system as contained in the HEADER record. | |
| void | setName (const String &name) |
| Set the name of the system. This is written to the HEADER record (truncated!). | |
| std::list< Position > | getRecordIndices (PDB::RecordType record) const |
Protected Attributes | |
| PDBRecords | skipped_records_ |
| Skipped PDB records (not parsed). | |
| PDBRecords | invalid_records_ |
| Invalid PDB records (tried to parse, but failed). | |
| String | filename_ |
| Filename. | |
| String | id_ |
| PDB ID. | |
| String | name_ |
| Name. | |
| Size | number_of_records_ |
| Total file size in bytes. | |
| Size | number_of_models_ |
| Total number of models. | |
| Position | model_read_ |
| Model last read. | |
| Size | number_of_atom_records_ |
| Number of ATOM records. | |
| Size | number_of_hetatm_records_ |
| Number of HETATM records. | |
PDB information class. This class contains holds summary information on a PDB file read by GenericPDBFile or PDBFile as well as unparse records.
Definition at line 29 of file PDBInfo.h.
| BALL::PDBInfo::PDBInfo | ( | ) |
| BALL::PDBInfo::PDBInfo | ( | const PDBInfo & | pdbi | ) |
| virtual BALL::PDBInfo::~PDBInfo | ( | ) | [virtual] |
| virtual void BALL::PDBInfo::clear | ( | ) | [virtual] |
Reset all attributes to their initial state.
| Position& BALL::PDBInfo::getCurentModel | ( | ) | [inline] |
| Position BALL::PDBInfo::getCurrentModel | ( | ) | const [inline] |
| const String& BALL::PDBInfo::getFilename | ( | ) | const [inline] |
| const String& BALL::PDBInfo::getID | ( | ) | const [inline] |
| const PDBRecords& BALL::PDBInfo::getInvalidRecords | ( | ) | const [inline] |
| PDBRecords& BALL::PDBInfo::getInvalidRecords | ( | ) | [inline] |
| const String& BALL::PDBInfo::getName | ( | ) | const [inline] |
| Size& BALL::PDBInfo::getNumberOfATOMRecords | ( | ) | [inline] |
| Size BALL::PDBInfo::getNumberOfATOMRecords | ( | ) | const [inline] |
| Size& BALL::PDBInfo::getNumberOfHETATMRecords | ( | ) | [inline] |
| Size BALL::PDBInfo::getNumberOfHETATMRecords | ( | ) | const [inline] |
| Size& BALL::PDBInfo::getNumberOfModels | ( | ) | [inline] |
| Size BALL::PDBInfo::getNumberOfModels | ( | ) | const [inline] |
| Size BALL::PDBInfo::getNumberOfRecords | ( | ) | const [inline] |
| std::list<Position> BALL::PDBInfo::getRecordIndices | ( | PDB::RecordType | record | ) | const |
Return a list of indices matchin a specific record type. This list is constructed by a linear search over all records currently stored in the skipped indices.
| const PDBRecords& BALL::PDBInfo::getSkippedRecords | ( | ) | const [inline] |
| PDBRecords& BALL::PDBInfo::getSkippedRecords | ( | ) | [inline] |
| void BALL::PDBInfo::setCurrentModel | ( | Position | n | ) | [inline] |
| void BALL::PDBInfo::setFilename | ( | const String & | filename | ) | [inline] |
| void BALL::PDBInfo::setID | ( | const String & | id | ) | [inline] |
| void BALL::PDBInfo::setName | ( | const String & | name | ) | [inline] |
| void BALL::PDBInfo::setNumberOfATOMRecords | ( | Size | n | ) | [inline] |
| void BALL::PDBInfo::setNumberOfHETATMRecords | ( | Size | n | ) | [inline] |
| void BALL::PDBInfo::setNumberOfModels | ( | Size | n | ) | [inline] |
| void BALL::PDBInfo::setNumberOfRecords | ( | Size | n | ) | [inline] |
String BALL::PDBInfo::filename_ [protected] |
String BALL::PDBInfo::id_ [protected] |
PDBRecords BALL::PDBInfo::invalid_records_ [protected] |
Position BALL::PDBInfo::model_read_ [protected] |
String BALL::PDBInfo::name_ [protected] |
Size BALL::PDBInfo::number_of_atom_records_ [protected] |
Size BALL::PDBInfo::number_of_hetatm_records_ [protected] |
Size BALL::PDBInfo::number_of_models_ [protected] |
Size BALL::PDBInfo::number_of_records_ [protected] |
PDBRecords BALL::PDBInfo::skipped_records_ [protected] |
1.6.3