protocols::drug_design Namespace Reference

Classes
class	RDKitMetric
	A SimpleMetric which measures properties calcualted by RDKit on a ligand. More...
class	RDKitMetricCreator
class	RDKitMetricsMover
class	RDKitMetricsMoverCreator

Typedefs
using	RDKitMetricOP = utility::pointer::shared_ptr< RDKitMetric >
using	RDKitMetricCOP = utility::pointer::shared_ptr< RDKitMetric const >
typedef utility::pointer::shared_ptr < RDKitMetricsMover >	RDKitMetricsMoverOP
typedef utility::pointer::shared_ptr < RDKitMetricsMover const >	RDKitMetricsMoverCOP

Functions
static basic::Tracer	TR ("protocols.drug_design.RDKitMetricsMover")

Typedef Documentation

using protocols::drug_design::RDKitMetricCOP = typedef utility::pointer::shared_ptr< RDKitMetric const >

using protocols::drug_design::RDKitMetricOP = typedef utility::pointer::shared_ptr< RDKitMetric >

typedef utility::pointer::shared_ptr< RDKitMetricsMover const > protocols::drug_design::RDKitMetricsMoverCOP

typedef utility::pointer::shared_ptr< RDKitMetricsMover > protocols::drug_design::RDKitMetricsMoverOP

Function Documentation

static basic::Tracer protocols::drug_design::TR ( "protocols.drug_design.RDKitMetricsMover"  )

static

Referenced by protocols::drug_design::RDKitMetric::calculate(), and protocols::drug_design::RDKitMetric::rdkit_metric().