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

~CompoundLib

(

)

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

)

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

• stage/include/ost/conop/compound_lib.hh