Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
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Contribution of an energy gradient term to the potential energy gradient function. More...
#include <Molecular_potential_energy_gradient.hpp>
Contribution of an energy gradient term to the potential energy gradient function.
It uses the Visitor for iterating over all interesting tuples of particles for computing the term given by Term.
Visitor | : model of a class defining the Iterator type, the begin() and end() static methods for iterating over all interesting tuples of particles |
Term | model of functor taking a tuple of particles as input and returning their contribution to the energy function for the given term. |
Terms | With C++11, it is possible to add different terms using the same visitor through the variadic template feature. |