Template Function gamer::gridSES¶
Defined in File PDBReader.h
Function Documentation¶
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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
begin – [in] Iterator to first atom
end – [in] Just past the end iterator
dim – [in] Dimension of the dataset
dataset – Volume of densities
- Template Parameters
Iterator – Typename of the iterator