occ::interaction::FileSystemPairEnergyStore Class Reference

#include <pair_energy_store.h>

Inheritance diagram for occ::interaction::FileSystemPairEnergyStore:

Collaboration diagram for occ::interaction::FileSystemPairEnergyStore:

Public Types
enum class	Format { JSON , XYZ }

Public Member Functions
	FileSystemPairEnergyStore (std::string path, Format format=Format::XYZ)
bool	save (int id, const core::Dimer &d, const CEEnergyComponents &e) override
bool	load (int id, const core::Dimer &d, CEEnergyComponents &e) override
std::string	dimer_filename (int id, const core::Dimer &d) const override
Public Member Functions inherited from occ::interaction::PairEnergyStoreBase
virtual	~PairEnergyStoreBase ()=default

Member Enumeration Documentation

Format

enum class occ::interaction::FileSystemPairEnergyStore::Format

strong

Enumerator
JSON
XYZ

Constructor & Destructor Documentation

FileSystemPairEnergyStore()

occ::interaction::FileSystemPairEnergyStore::FileSystemPairEnergyStore ( std::string  path, Format  format = Format::XYZ  )

inlineexplicit

Member Function Documentation

dimer_filename()

std::string occ::interaction::FileSystemPairEnergyStore::dimer_filename ( int  id, const core::Dimer &  d  ) const

overridevirtual

Implements occ::interaction::PairEnergyStoreBase.

load()

bool occ::interaction::FileSystemPairEnergyStore::load ( int  id, const core::Dimer &  d, CEEnergyComponents &  e  )

overridevirtual

Implements occ::interaction::PairEnergyStoreBase.

save()

bool occ::interaction::FileSystemPairEnergyStore::save ( int  id, const core::Dimer &  d, const CEEnergyComponents &  e  )

overridevirtual

Implements occ::interaction::PairEnergyStoreBase.

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The documentation for this class was generated from the following file:

• /home/runner/work/occ/occ/include/occ/interaction/pair_energy_store.h