OpenStructure
 All Data Structures Namespaces Files Functions Variables Typedefs Enumerations Enumerator Properties Friends Macros Groups Pages
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)
static
virtual CompoundPtr FindCompound ( const String id,
Compound::Dialect  dialect 
) const
virtual

Implements CompoundLibBase.

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

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