RDKit
Open-source cheminformatics and machine learning.
RDKit::AtomMonomerInfo Class Reference

The abstract base class for atom-level monomer info. More...

#include <MonomerInfo.h>

Inheritance diagram for RDKit::AtomMonomerInfo:
RDKit::AtomPDBResidueInfo

Public Types

enum  AtomMonomerType { UNKNOWN = 0, PDBRESIDUE, OTHER }
 

Public Member Functions

virtual ~AtomMonomerInfo ()
 
 AtomMonomerInfo ()
 
 AtomMonomerInfo (AtomMonomerType typ, const std::string &nm="")
 
 AtomMonomerInfo (const AtomMonomerInfo &other)
 
const std::string & getName () const
 
void setName (const std::string &nm)
 
AtomMonomerType getMonomerType () const
 
void setMonomerType (AtomMonomerType typ)
 
virtual AtomMonomerInfocopy () const
 

Detailed Description

The abstract base class for atom-level monomer info.

Definition at line 24 of file MonomerInfo.h.

Member Enumeration Documentation

Enumerator
UNKNOWN 
PDBRESIDUE 
OTHER 

Definition at line 26 of file MonomerInfo.h.

Constructor & Destructor Documentation

virtual RDKit::AtomMonomerInfo::~AtomMonomerInfo ( )
inlinevirtual

Definition at line 28 of file MonomerInfo.h.

RDKit::AtomMonomerInfo::AtomMonomerInfo ( )
inline

Definition at line 30 of file MonomerInfo.h.

Referenced by copy().

RDKit::AtomMonomerInfo::AtomMonomerInfo ( AtomMonomerType  typ,
const std::string &  nm = "" 
)
inline

Definition at line 31 of file MonomerInfo.h.

RDKit::AtomMonomerInfo::AtomMonomerInfo ( const AtomMonomerInfo other)
inline

Definition at line 33 of file MonomerInfo.h.

Member Function Documentation

virtual AtomMonomerInfo* RDKit::AtomMonomerInfo::copy ( ) const
inlinevirtual

Reimplemented in RDKit::AtomPDBResidueInfo.

Definition at line 41 of file MonomerInfo.h.

References AtomMonomerInfo().

AtomMonomerType RDKit::AtomMonomerInfo::getMonomerType ( ) const
inline

Definition at line 38 of file MonomerInfo.h.

const std::string& RDKit::AtomMonomerInfo::getName ( ) const
inline

Definition at line 36 of file MonomerInfo.h.

void RDKit::AtomMonomerInfo::setMonomerType ( AtomMonomerType  typ)
inline

Definition at line 39 of file MonomerInfo.h.

void RDKit::AtomMonomerInfo::setName ( const std::string &  nm)
inline

Definition at line 37 of file MonomerInfo.h.


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