NAME

       sc::ConnollyShape - DiscreteConnollyShape and ConnollyShape should produce the same
       result.

SYNOPSIS

       #include <molshape.h>

       Inherits sc::Shape.

   Public Member Functions
       ConnollyShape (const Ref< KeyVal > &)
       void initialize (const Ref< Molecule > &, double probe_radius)
       void clear ()
       double distance_to_surface (const SCVector3 &r, SCVector3 *grad=0) const
       void boundingbox (double valuemin, double valuemax, SCVector3 &p1, SCVector3 &p2)

   Static Public Member Functions
       static void print_counts (std::ostream &=ExEnv::out0())

   Additional Inherited Members

Detailed Description

       DiscreteConnollyShape and ConnollyShape should produce the same result.

       The discrete version is a shape union of discrete subshapes and is slower. These classes
       describe the solvent accessible surface of a molecule.

Author

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