#include <PDBInfo.h>
Public Member Functions | |
Constructors and Destructor | |
| PDBInfo (const PDBInfo &pdbi) throw () | |
| 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 |
| Return a list of indices matchin a specific record type. | |
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. | |
This class contains holds summary information on a PDB file read by or as well as unparse records.
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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. |