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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 block error estimation for statistical analysis. More...

Public Member Functions | |
| BlockErrorEstimation () | |
| Default constructor. | |
| BlockErrorEstimation (std::size_t size, std::size_t numberOfSamples) | |
| Constructs a BlockErrorEstimation with specified parameters. | |
| void | setCurrentSample (std::size_t sample) |
| Updates the current sample and bin index. | |
| bool | operator== (BlockErrorEstimation const &) const =default |
Friends | |
| Archive< std::ofstream > & | operator<< (Archive< std::ofstream > &archive, const BlockErrorEstimation &blockerror) |
| Archive< std::ifstream > & | operator>> (Archive< std::ifstream > &archive, BlockErrorEstimation &blockerror) |
Manages block error estimation for statistical analysis.
The BlockErrorEstimation struct keeps track of the sampling process for block error analysis. It divides the total number of samples into bins and updates the current bin as samples are processed.
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inline |
Default constructor.
Initializes a BlockErrorEstimation object with default values.
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inline |
Constructs a BlockErrorEstimation with specified parameters.
Initializes the BlockErrorEstimation with the given number of bins and samples, and calculates the bin sizes.
| size | Number of bins. |
| numberOfSamples | Total number of samples. |
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inline |
Updates the current sample and bin index.
Sets the current sample index and updates the current bin index if the sample reaches the next bin boundary.
| sample | The current sample index. |