occ::io::JsonCache Class Reference

Somewhere to keep expensive intermediate results (monomer energies, wavefunctions, solvation surfaces) as JSON documents, so a repeat calculation can skip them. More...

#include <json_cache.h>

Inheritance diagram for occ::io::JsonCache:

Public Member Functions
virtual	~JsonCache ()=default
virtual std::optional< nlohmann::json >	load (const std::string &key) const =0
	The document stored under key, or nothing if there is none.
virtual void	store (const std::string &key, const nlohmann::json &doc)=0
virtual std::string	location (const std::string &key) const =0
	Where key lives, for log messages: "file <key>" or "memory [<key>]".

Detailed Description

Somewhere to keep expensive intermediate results (monomer energies, wavefunctions, solvation surfaces) as JSON documents, so a repeat calculation can skip them.

A key names one document. The file backend uses it as the path, so the keys are the cache filenames the calculations have always written; the memory backend only needs them to be distinct. Checking that a cached document still matches the calculation (model, level of theory, ...) is the caller's job: the cache just stores what it is given.

Constructor & Destructor Documentation

~JsonCache()

virtual occ::io::JsonCache::~JsonCache ( )

virtualdefault

Member Function Documentation

load()

virtual std::optional< nlohmann::json > occ::io::JsonCache::load ( const std::string &  key ) const

pure virtual

The document stored under key, or nothing if there is none.

A document that exists but cannot be parsed is an error, not a miss.

Implemented in occ::io::FileJsonCache, and occ::io::MemoryJsonCache.

location()

virtual std::string occ::io::JsonCache::location ( const std::string &  key ) const

pure virtual

Where key lives, for log messages: "file <key>" or "memory [<key>]".

Implemented in occ::io::FileJsonCache, and occ::io::MemoryJsonCache.

store()

virtual void occ::io::JsonCache::store ( const std::string &  key, const nlohmann::json &  doc  )

pure virtual

Implemented in occ::io::FileJsonCache, and occ::io::MemoryJsonCache.

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

• /home/runner/work/occ/occ/include/occ/io/json_cache.h