5 #ifndef BALL_FORMAT_PDBINFO_H 6 #define BALL_FORMAT_PDBINFO_H 11 #ifndef BALL_FORMAT_PDBRECORDS_H 15 #ifndef BALL_FORMAT_PDBDEFS_H 19 #ifndef BALL_CONCEPT_PERSISTENCEMANAGER_H 69 PDBRecords& getSkippedRecords() {
return skipped_records_; }
166 #endif // BALL_FORMAT_PDBINFO_H Size & getNumberOfATOMRecords()
Return the number of atom records read.
Size getNumberOfHETATMRecords() const
Return the number of hetatm records read.
#define BALL_CREATE(name)
PDBRecords skipped_records_
Skipped PDB records (not parsed)
void setNumberOfRecords(Size n)
Set the number of records.
const PDBRecords & getSkippedRecords() const
Return the unparsed records.
void setNumberOfATOMRecords(Size n)
Set the number of atom records read.
void setNumberOfModels(Size n)
Set the number of models.
Size & getNumberOfHETATMRecords()
Return the number of hetatm records read.
const String & getFilename() const
Return the filename.
Size number_of_hetatm_records_
Number of HETATM records.
const String & getName() const
Return the name of the system as contained in the HEADER record.
Position & getCurentModel()
Return the number of the last model read.
Size getNumberOfATOMRecords() const
Return the number of atom records read.
Size & getNumberOfModels()
Return the number of models.
Size number_of_atom_records_
Number of ATOM records.
void setNumberOfHETATMRecords(Size n)
Set the number of hetatm records read.
Position getCurrentModel() const
Return the number of the last model read.
BALL_EXPORT bool operator!=(const String &s1, const String &s2)
Size getNumberOfModels() const
Return the number of models.
void setFilename(const String &filename)
Set the filename.
Position model_read_
Model last read.
Size getNumberOfRecords() const
Return the total number of records read.
PDBRecords & getInvalidRecords()
Return the unparsed records.
Size number_of_models_
Total number of models.
void setCurrentModel(Position n)
Set the number of the model read.
Size number_of_records_
Total file size in bytes.
BALL_EXPORT bool operator==(const String &s1, const String &s2)
void setID(const String &id)
Set the PDB ID.
-*- Mode: C++; tab-width: 2; -*-
const String & getID() const
Return the PDB ID.
PDBRecords invalid_records_
Invalid PDB records (tried to parse, but failed)
String filename_
Filename.
const PDBRecords & getInvalidRecords() const
Return the unparsed records.
void setName(const String &name)
Set the name of the system. This is written to the HEADER record (truncated!).