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Public Member Functions | Static Public Member Functions
CompoundLib Class Reference

#include <compound_lib.hh>

Inherits CompoundLibBase.

Public Member Functions

 ~CompoundLib ()
virtual CompoundPtr FindCompound (const String &id, Compound::Dialect dialect) const
void AddCompound (const CompoundPtr &compound)
CompoundLibPtr Copy (const String &filename) const
void ClearCache ()
Date GetCreationDate (void)
String GetOSTVersionUsed (void)
void SetChemLibInfo (void)
- Public Member Functions inherited from CompoundLibBase
virtual ~CompoundLibBase ()
bool IsResidueComplete (const ost::mol::ResidueHandle &res, bool check_hydrogens, Compound::Dialect) const

Static Public Member Functions

static CompoundLibPtr Load (const String &database, bool readonly=true)
static CompoundLibPtr Create (const String &database)

Detailed Description

Definition at line 35 of file compound_lib.hh.

Constructor & Destructor Documentation

Member Function Documentation

void AddCompound ( const CompoundPtr compound)
void ClearCache ( )
CompoundLibPtr Copy ( const String filename) const
static CompoundLibPtr Create ( const String database)
virtual CompoundPtr FindCompound ( const String id,
Compound::Dialect  dialect 
) const

Implements CompoundLibBase.

Date GetCreationDate ( void  )
String GetOSTVersionUsed ( void  )
static CompoundLibPtr Load ( const String database,
bool  readonly = true 
void SetChemLibInfo ( void  )

The documentation for this class was generated from the following file: