OERoleSet¶

class OERoleSet

This class represents OERoleSet, a parent class for objects that need to store OERole objects.

An OERole is an object that helps define a classification (naming) scheme to represent a category or functional role.

OERole role("my:analysis:active-site");
std::cout << role.GetName() << std::endl;

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

OEAtomBondSet frag; // is a OERoleSet
frag.AddRole(role);

The following classes derive from this class:

It is possible to test if an OERole has been added using the HasRole method, or with the OEHasRole predicate.

AddRole¶

bool AddRole(const OERole &role)

Add the specified OERole to this OERoleSet. Returns true if successful.

bool AddRole(const std::string &name)

Convenience method for adding a OERole by name.

frag.AddRole("my:analysis:low-energy");

void ClearRoles()

Delete all the OERole objects from this OERoleSet.

bool DeleteRole(const OERole &role)
bool DeleteRole(const std::string &name)

Delete the specified OERole from this OERoleSet. Returns true if successful.

frag.DeleteRole(role);
frag.DeleteRole("my:analysis:some-role");

OEIterBase<const OERole> *GetRoles() const

Returns an iterator of every OERole object in this OERoleSet.

for (OEIter<const OERole> r = frag.GetRoles(); r; ++r)
  std::cout << r->GetName() << " " << std::endl;

bool HasRole(const OERole &role) const

Returns true if the OERoleSet contains the specified role.

OERole role2("my:analysis:low-energy");
std::cout << frag.HasRole(role2) << std::endl;

bool HasRole(const std::string &name) const

Convenience method for testing membership with a string.

std::cout << frag.HasRole("my:analysis:small") << std::endl;

unsigned int NumRoles() const

Returns the current number of OERole objects in this OERoleSet.