OESiteHopperScore

class OESiteHopperScore : public OESiteHopperResults

This class is use to hold the score and results from a SiteHopper search.

The following methods are publicly inherited from OESiteHopperResults:

operator=	GetRank	SetColorTanimoto
GetColorScale	GetSequenceSimilarity	SetRank
GetColorTanimoto	GetShapeTanimoto	SetSequenceSimilarity
GetPatchScore	SetColorScale	SetShapeTanimoto

Constructors

OESiteHopperScore()
OESiteHopperScore(OESiteHopperScore &&)=default
OESiteHopperScore(const OESiteHopperScore &rhs)=default

Default constructors.

operator=

OESiteHopperScore &operator=(OESiteHopperScore &&rhs)=default
OESiteHopperScore &operator=(const OESiteHopperScore &rhs)=default

GetDesignUnit

OEBio::OEDesignUnit GetDesignUnit() const

Get output OEDesignUnit for this result. The transfrom from the overlay will already be applied.

GetID

unsigned int GetID() const

Get database index for this result.

GetTitle

std::string GetTitle() const

Get title from OEDesignUnit.

GetTransform

const OEChem::OETrans &GetTransform() const

Get the transform from the overlay. This allows applying the same transform to other objects to move them into the output frame of reference.

Note

When asking for the OEDesignUnit from this class, DO NOT apply this transform as the OEDesignUnit will already be transformed.

SetDesignUnit

void SetDesignUnit(const OEBio::OEDesignUnit &du)

Internal use: Set the OEDesignUnit.

SetID

void SetID(const unsigned int id)

Internal use: Set the database index.

SetTitle

void SetTitle(const std::string &title)

Internal use: Set the title.

SetTransform

void SetTransform(const OEChem::OETrans &trans)

Internal use: Set the transform.