Collect the virtual site details and constraint parameters of the topology synthesis into a single abstract. This is designed to work in the context of the valence work units from the same topology synthesis, whether in a standalone function or as an extra step in a workflow that compute valence interactions and then moves particles. More...

#include <synthesis_abstracts.h>

Collaboration diagram for stormm::structure::SyAtomUpdateKit< T, T2, T4 >:

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Public Member Functions
	SyAtomUpdateKit (const T masses_in, const T inv_masses_in, int largest_group_in, const T4 vs_params_in, const T4 settle_geom_in, const T4 settle_mass_in, const T2 cnst_grp_params_in, const uint2 vste_insr_in, const uint2 sett_insr_in, const uint2 cnst_insr_in, const uint2 vwu_manip_in, const int free_dof_in, const int cnst_dof_in)
	The constructor takes a list of parameter arrays. Like other AtomGraphSynthesis abstracts, the actual numbers of parameters in each array, which are irrelevant to the implementation as long as the work unit instructions do not overrun the bounds, are omitted to save space on the constants imported as arguments to each kernel. The numbers of each instruction are found in the valence work units.


	SyAtomUpdateKit (const SyAtomUpdateKit &original)=default
	The copy and move constructors are taken at their default values for this abstract containing const elements.

	SyAtomUpdateKit (SyAtomUpdateKit &&original)=default

Public Attributes
const T *	masses
	Masses of all particles.

const T *	inv_masses
	Inverse masses of all particles.

const int	largest_group

const T4 *	vs_params

const T4 *	settle_geom

const T4 *	settle_mass

const T2 *	cnst_grp_params

const uint2 *	vste_insr
	Virtual site placement instructions.

const uint2 *	sett_insr
	SETTLE group constraints instructions.

const uint2 *	cnst_insr
	Hub-and-spoke constraint instructions.

const uint2 *	vwu_manip

const int *	free_dof

const int *	cnst_dof

Detailed Description

template<typename T, typename T2, typename T4>
struct stormm::structure::SyAtomUpdateKit< T, T2, T4 >

Collect the virtual site details and constraint parameters of the topology synthesis into a single abstract. This is designed to work in the context of the valence work units from the same topology synthesis, whether in a standalone function or as an extra step in a workflow that compute valence interactions and then moves particles.