occ::cg::SolventSurface Struct Reference

#include <solvent_surface.h>

Public Member Functions
double	total_energy () const
double	total_area () const
size_t	size () const

Public Attributes
occ::Mat3N	positions
occ::Vec	energies
occ::Vec	areas

Member Function Documentation

size()

size_t occ::cg::SolventSurface::size

(

)

const

total_area()

double occ::cg::SolventSurface::total_area

(

)

const

total_energy()

double occ::cg::SolventSurface::total_energy

(

)

const

Member Data Documentation

areas

occ::Vec occ::cg::SolventSurface::areas

energies

occ::Vec occ::cg::SolventSurface::energies

positions

occ::Mat3N occ::cg::SolventSurface::positions

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The documentation for this struct was generated from the following file:

• /home/runner/work/occ/occ/include/occ/cg/solvent_surface.h