Template Function gamer::gridSES

• Defined in File PDBReader.h

Function Documentation

template<typename Iterator>
void gamer::gridSES(const Iterator begin, const Iterator end, const Vector3i &dim, float *dataset, const float radius)

Compute the grid based Solvent Excluded Surface.

Assumes that the domain is in the {+,+,+} octant.

Parameters

• [in] begin: Iterator to first atom

• [in] end: Just past the end iterator

• [in] dim: Dimension of the dataset

• dataset: Volume of densities

Template Parameters

• Iterator: Typename of the iterator