ShapeSimilarityMetric.hh File Reference

Header file for ShapeSimilarityMetric class. More...

#include <core/simple_metrics/metrics/ShapeSimilarityMetric.fwd.hh>
#include <core/simple_metrics/RealMetric.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/sc/ShapeSimilarityCalculator.fwd.hh>
#include <core/types.hh>
#include <core/select/residue_selector/ResidueSelector.fwd.hh>
#include <basic/datacache/DataMap.fwd.hh>
#include <utility/tag/Tag.fwd.hh>
#include <utility/excn/Exceptions.hh>
#include <core/scoring/sc/MolecularSurfaceCalculator.hh>

Classes
class	core::simple_metrics::metrics::ShapeSimilarityMetric
class	core::simple_metrics::metrics::EXCN_InitFailed
	Super-simple exception to be thrown when we can't initialize the SS calculator. More...
class	core::simple_metrics::metrics::EXCN_CalcFailed
	Super-simple exception to be thrown when the SS calculator fails to compute. More...

Namespaces
	core
	A class for reading in the atom type properties.
	core::simple_metrics
	core::simple_metrics::metrics

Detailed Description

Header file for ShapeSimilarityMetric class.

The code modifies Luki Goldschmidt's implementation of Lawrence & Coleman shape complementarity calculator to allow for the comparison of similar surface shapes.

Author

Andreas Scheck (andre.nosp@m.as.s.nosp@m.check.nosp@m.@epf.nosp@m.l.ch)