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RASPA3 3.0.13
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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Manages a collection of reactions within the simulation system. More...

Public Member Functions | |
| bool | operator== (Reactions const &) const =default |
| A list of Reaction objects managed by this struct. | |
| std::string | printStatus () const |
| Retrieves the current status of all reactions as a string. | |
| nlohmann::json | jsonStatus () const |
| Retrieves the current status of all reactions in JSON format. | |
Public Attributes | |
| std::uint64_t | versionNumber {1} |
| < The version number of the Reactions data structure. | |
| std::vector< Reaction > | list |
Friends | |
| Archive< std::ofstream > & | operator<< (Archive< std::ofstream > &archive, const Reactions &r) |
| Archive< std::ifstream > & | operator>> (Archive< std::ifstream > &archive, Reactions &r) |
Manages a collection of reactions within the simulation system.
The Reactions struct encapsulates a list of Reaction objects and provides methods to retrieve the current status in both string and JSON formats. It also includes serialization operators for reading from and writing to archives.
| nlohmann::json Reactions::jsonStatus | ( | ) | const |
Retrieves the current status of all reactions in JSON format.
Constructs a JSON object containing the number of reactions and an array representing each reaction's status.
| std::string Reactions::printStatus | ( | ) | const |
Retrieves the current status of all reactions as a string.
Generates a formatted string that includes the number of reactions and the status of each individual reaction in the list.