feat: Non-compartmental analysis (NCA) #189
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mhovd
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Jan 7, 2026
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| /// Number of points used | ||
| pub n_points: usize, |
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Points used for what? Regression?
mhovd
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Jan 7, 2026
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| /// A validated concentration-time profile ready for NCA analysis | ||
| /// | ||
| /// This is an internal structure that normalizes data from various sources | ||
| /// (raw arrays, Occasion) into a consistent format with BLQ handling applied. | ||
| #[derive(Debug, Clone)] | ||
| pub(crate) struct Profile { | ||
| /// Time points (sorted, ascending) | ||
| pub times: Vec<f64>, | ||
| /// Concentration values (parallel to times) | ||
| pub concentrations: Vec<f64>, | ||
| /// Index of Cmax in the arrays | ||
| pub cmax_idx: usize, | ||
| /// Index of Clast (last positive concentration) | ||
| pub tlast_idx: usize, | ||
| } | ||
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Do you prefer this over an implementation directly over Occasion?
mhovd
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Jan 7, 2026
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| pub fn from_arrays( | ||
| times: &[f64], | ||
| concentrations: &[f64], | ||
| loq: f64, | ||
| blq_rule: BLQRule, | ||
| ) -> Result<Self, NCAError> { |
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There should be a impl From too, I think.
mhovd
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Jan 7, 2026
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| // Find Cmax index | ||
| let cmax_idx = proc_concs | ||
| .iter() | ||
| .enumerate() | ||
| .max_by(|a, b| a.1.partial_cmp(b.1).unwrap_or(std::cmp::Ordering::Equal)) | ||
| .map(|(i, _)| i) | ||
| .unwrap_or(0); |
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In cases where there are several "max" concentrations, this should report the first occurence. This is relevant for the Tmax, where we then are more interested in the time to the first maximum.
mhovd
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Jan 7, 2026
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| // Find Tlast index (last positive concentration) | ||
| let tlast_idx = proc_concs | ||
| .iter() | ||
| .rposition(|&c| c > 0.0) | ||
| .unwrap_or(proc_concs.len() - 1); |
mhovd
reviewed
Jan 7, 2026
| /// AUC calculation method (default: LinUpLogDown) | ||
| pub auc_method: AUCMethod, | ||
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| /// Limit of quantification (default: 0.0) |
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Should be "Lower limit of quantification"
mhovd
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Jan 7, 2026
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| /// BLQ handling rule (default: Exclude) | ||
| pub blq_rule: BLQRule, | ||
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What about concentrations that are too high? Its an edge-case, but since you already care about lower limit.
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