OEGraphMol¶
class OEGraphMol
This class represents OEGraphMol
that is a single-conformer concrete implementation
of the OEMolBase
base class.
It is recommended to use in cheminformatics applications.
See also
Molecules chapter
The following methods are publicly inherited from OEMolBase
:
The following methods are publicly inherited from OEBase
:
Constructors¶
OEGraphMol(const OEMolBase &)
OEGraphMol(const OEGraphMol &)
OEGraphMol(const OEMolBase &, unsigned int type)
OEGraphMol(const OEGraphMol &, unsigned int type)
OEGraphMol(unsigned int type=OEMolBaseType::OEDefault)
OEGraphMol(const OEMol &, unsigned int type=OEMolBaseType::OEDefault)
OEGraphMol(const OEQMol &, unsigned int type=OEMolBaseType::OEDefault)
OEGraphMol(const OEQMolBase &, unsigned int type=OEMolBaseType::OEDefault)
OEGraphMol(const OEMCMolBase &, unsigned int type=OEMolBaseType::OEDefault)
Default and copy constructors.
operator=¶
OEGraphMol &operator=(const OEMol &)
OEGraphMol &operator=(const OEQMol &)
OEGraphMol &operator=(const OEMolBase &)
OEGraphMol &operator=(const OEQMolBase &)
OEGraphMol &operator=(const OEGraphMol &)
OEGraphMol &operator=(const OEMCMolBase &)
operator OEMolBase &¶
operator const OEMolBase &() const
operator OEMolBase &()
SCMol¶
const OEMolBase &SCMol() const
OEMolBase &SCMol()