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
virtual CompoundPtrList FindCompounds (const String &query, const String &by, 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 37 of file compound_lib.hh.

Constructor & Destructor Documentation

◆ ~CompoundLib()

Member Function Documentation

◆ AddCompound()

void AddCompound ( const CompoundPtr compound)

◆ ClearCache()

void ClearCache ( )

◆ Copy()

CompoundLibPtr Copy ( const String filename) const

◆ Create()

static CompoundLibPtr Create ( const String database)

◆ FindCompound()

virtual CompoundPtr FindCompound ( const String id,
Compound::Dialect  dialect 
) const

Implements CompoundLibBase.

◆ FindCompounds()

virtual CompoundPtrList FindCompounds ( const String query,
const String by,
Compound::Dialect  dialect 
) const

◆ GetCreationDate()

Date GetCreationDate ( void  )

◆ GetOSTVersionUsed()

String GetOSTVersionUsed ( void  )

◆ Load()

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

◆ SetChemLibInfo()

void SetChemLibInfo ( void  )

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