Etable.hh File Reference

#include <core/scoring/etable/Etable.fwd.hh>
#include <core/scoring/etable/EtableOptions.hh>
#include <core/chemical/AtomTypeSet.hh>
#include <core/conformation/Atom.hh>
#include <numeric/cubic_polynomial.hh>
#include <ObjexxFCL/FArray1D.hh>
#include <ObjexxFCL/FArray1A.fwd.hh>
#include <ObjexxFCL/FArray2D.hh>
#include <ObjexxFCL/FArray3D.hh>
#include <utility/assert.hh>
#include <utility/VirtualBase.hh>

Classes
struct	core::scoring::etable::ExtraQuadraticRepulsion
	the ExtraQuadraticRepulsion class is used to add in extra repulsion for particular atom pairs, if needed, (e.g. for OCbb/OCbb) where the functional form is: fa_rep += (xhi - x)^2 * slope for values of x between xlo and xhi, and fa_rep += (x - xlo ) * extrapolated_slope + ylo where extrapolated slope can be anything, but, to defined a function with continuous derivatives, should be extrapolated_slope = (xhi-xlo)^2*slope. This is the analytical implementation of the "modify_pot" behavior. More...
struct	core::scoring::etable::EtableParamsOnePair
	EtableParamsOnePair describes all of the parameters for a particular pair of atom types necessary to evaluate the Lennard-Jones and LK solvation energies. More...
class	core::scoring::etable::Etable
	Class definition for Etable. More...

Namespaces
	core
	A class for reading in the atom type properties.
	core::scoring
	core::scoring::etable