PaqAtcUtility.h
417a56728c39lammm-master

PaqAtcUtility.h
View Options

			// A class for defining atomic information used by the per-atom quantities
			// this is required so they can be templatized

			#ifndef PAQ_ATC_UTILITY_H
			#define PAQ_ATC_UTILITY_H

			#include "ATC_TypeDefs.h"
			#include "Array.h"
			#include "ATC_Error.h"

			namespace ATC {

			// forward declarations
			class ATC_Method;
			class FE_Engine;

			class PaqAtcUtility {

			public:

			// constructor
			PaqAtcUtility(ATC_Method * atc, AtomType atomType=NO_ATOMS);

			// destructor
			~PaqAtcUtility() {};

			// get the number of local atoms associated with this type
			int nlocal() const;

			// get the total number of atoms on this processor
			int nlocal_total() const;

			/** get the number of spatial dimensions */
			int nsd() const;

			/** get the timestep size */
			double dt() const;

			/** get the map from atc to lammps indexing for this type */
			const Array<int> & atc_to_lammps_map() const;

			/** access to the engine */
			const FE_Engine * fe_engine() const;

			protected:

			/** pointer to atc object */
			ATC_Method * atc_;

			/** type of atoms this quantity applies to */
			AtomType atomType_;

			/** function pointer to number of local atoms for this quantity */
			int (ATC_Method::*myNlocal)() const;

			private:

			// do not define
			PaqAtcUtility();

			};

			}

			#endif