OERole

class OERole

This class represents OERole, an object that can be used in a some classification scheme to define a category or role. Each OERole is defined by a role name string.

role = oechem.OERole("my:analysis:active-site")
print(role.GetName())

Objects inherited from OERoleSet can have OERole objects added to them as a way of marking them for particular uses.

frag = oechem.OEAtomBondSet()  # isa OERoleSet
frag.AddRole(role)

Constructors

OERole()
OERole(const OERole &rhs)

Default and copy constructors.

OERole(const std::string &name)

Standard constructor. It is recommended that classification schemes use hierarchical naming systems, such as oebio:component:cofactor, so that they will not conflict with one another when multiple schemes are mixed together.

operator=

OERole &operator=(const OERole &rhs)

Assignment operator.

operator<

bool operator<(const OERole &rhs) const

Allows OERole objects to be ordered.

operator==

bool operator==(const OERole &rhs) const

Allows OERole objects to be compared for equivalence.

GetName

const char *GetName() const

Returns the character string representing the name of the role. An empty character string is returned for a default OERole or one constructed with a random unsigned integer.