#include <PDBInfo.h>
Public Member Functions |
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Constructors and Destructor
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| PDBInfo () | |
| PDBInfo (const PDBInfo &pdbi) | |
| virtual | ~PDBInfo () |
| virtual void | clear () |
| Reset all attributes to their
initial state. |
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| PDBInfo & | operator= (const PDBInfo &rhs) |
| Assignment. |
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| bool | operator== (const PDBInfo &rhs) const |
| Predicates. |
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| bool | operator!= (const PDBInfo &rhs) const |
| Inequality operator. |
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| PDBRecords & | getSkippedRecords () |
| Accessors. |
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| const PDBRecords & | getSkippedRecords () const |
| Return the unparsed
records. |
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| PDBRecords & | getInvalidRecords () |
| Return the unparsed
records. |
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| const PDBRecords & | getInvalidRecords () const |
| Return the unparsed
records. |
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| const String & | getFilename () const |
| Return the filename. |
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| void | setFilename (const String &filename) |
| Set the filename. |
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| const String & | getID () const |
| Return the PDB
ID. |
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| void | setID (const String &id) |
| Set the PDB
ID. |
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| Size | getNumberOfRecords () const |
| Return the total number of records
read. |
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| void | setNumberOfRecords (Size n) |
| Set the number of
records. |
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| Size | getNumberOfModels () const |
| Return the number of
models. |
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| Size & | getNumberOfModels () |
| Return the number of
models. |
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| void | setNumberOfModels (Size n) |
| Set the number of models. |
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| Position | getCurrentModel () const |
| Return the number of the last model
read. |
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| Position & | getCurentModel () |
| Return the number of the last model
read. |
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| void | setCurrentModel (Position n) |
| Set the number of the model
read. |
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| Size | getNumberOfATOMRecords () const |
| Return the number of atom records
read. |
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| Size & | getNumberOfATOMRecords () |
| Return the number of atom records
read. |
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| void | setNumberOfATOMRecords (Size n) |
| Set the number of atom records
read. |
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| Size | getNumberOfHETATMRecords () const |
| Return the number of hetatm records
read. |
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| Size & | getNumberOfHETATMRecords () |
| Return the number of hetatm records
read. |
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| void | setNumberOfHETATMRecords (Size n) |
| Set the number of hetatm records
read. |
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| const String & | getName () const |
| Return the name of the system as
contained in the HEADER record. |
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| void | setName (const String &name) |
| Set the name of the system. This is
written to the HEADER record (truncated!). |
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| std::list< Position > | getRecordIndices (PDB::RecordType record) const |
| Return a list of indices matchin a
specific record type. |
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Protected Attributes |
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| PDBRecords | skipped_records_ |
| Skipped PDB
records (not parsed). |
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| PDBRecords | invalid_records_ |
| Invalid PDB
records (tried to parse, but failed). |
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| String | filename_ |
| Filename. |
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| String | id_ |
| PDB
ID. |
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| String | name_ |
| Name. |
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| Size | number_of_records_ |
| Total file size in bytes. |
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| Size | number_of_models_ |
| Total number of models. |
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| Position | model_read_ |
| Model last read. |
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| Size | number_of_atom_records_ |
| Number of ATOM records. |
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| Size | number_of_hetatm_records_ |
| Number of HETATM records. |
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This class contains holds summary information on a PDB file read by GenericPDBFile or PDBFile as well as unparse records.
| 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.
| PDBRecords& BALL::PDBInfo::getSkippedRecords | ( | ) |
Accessors.
Return the unparsed records
| bool BALL::PDBInfo::operator== | ( | const PDBInfo & | rhs | ) | const |
Predicates.
Equality operator
1.5.8