class OEShapeOverlapDisplay
This class represents OEShapeOverlapDisplay that stores the depiction information of depicting the for molecule of shape overlap. See example in Table: Example of depicting the shape and the color overlap.
See also
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See also
OEShapeOverlapDisplay(const OEShapeQueryDisplay &refdisp,
const OEChem::OEMolBase &fitmol)
Constructs an OEShapeOverlapDisplay object with default depiction options.
Warning
No overlay is performed to maximize the shape and color overlap between the reference and the fit molecule i.e. the fitmol has to be pre-aligned to the reference molecule stored in the OEShapeQueryDisplay object.
OEShapeOverlapDisplay(const OEShapeQueryDisplay &refdisp,
const OEChem::OEMolBase &fitmol,
const OEColorOverlapDisplayOptions &copts)
OEShapeOverlapDisplay(const OEShapeQueryDisplay &refdisp,
const OEChem::OEMolBase &fitmol,
const OEShapeOverlapDisplayOptions &sopts)
OEShapeOverlapDisplay(const OEShapeQueryDisplay &refdisp,
const OEChem::OEMolBase &fitmol,
const OEShapeOverlapDisplayOptions &sopts,
const OEColorOverlapDisplayOptions &copts)
Constructs an OEShapeOverlapDisplay object with given depiction options.
Warning
No overlay is performed to maximize the shape and color overlap between the reference and the fit molecule i.e. the fitmol has to be pre-aligned to the reference molecule stored in the OEShapeQueryDisplay object.
OEShapeOverlapDisplay(const OEShapeOverlapDisplay &rhs)
Copy constructor.
std::string GetTitle() const
Returns the title of the molecule the OEShapeOverlapDisplay object was initialized.
bool IsValid() const
Returns whether the OEShapeOverlapDisplay object was initialized successfully. If initialization was attempted either with an invalid OEShapeOverlapDisplay object, an empty fit molecule or a fit molecule without 3D coordinates, then this method returns false.