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sc::ConnollyShape(3)                 MPQC                 sc::ConnollyShape(3)

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 Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Fri Feb 19 2016 sc::ConnollyShape(3)

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