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23 changes: 19 additions & 4 deletions Cargo.lock

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2 changes: 2 additions & 0 deletions Cargo.toml
Original file line number Diff line number Diff line change
Expand Up @@ -91,6 +91,8 @@ quick-xml = { version = "0.38.0", features = [
"serde-types",
"overlapped-lists",
], optional = true }
uuid = { version = "1.18.1", features = ["v4"] }
derivative = "2.2.0"

[profile.release]
opt-level = 3
Expand Down
10 changes: 10 additions & 0 deletions src/macros/unit_macro.rs
Original file line number Diff line number Diff line change
Expand Up @@ -22,6 +22,8 @@
macro_rules! build_base_unit {
($prefix:tt, $unit:ident, $exponent:expr) => {
$crate::prelude::BaseUnit {
jsonld: $crate::prelude::default_baseunit_jsonld_header(),
additional_properties: None,
scale: Some(
$crate::macros::unit_maps::PREFIX_MAPPING
.get(stringify!($prefix))
Expand Down Expand Up @@ -75,6 +77,8 @@ macro_rules! collect_base_units {
macro_rules! inverse_unit {
($([$prefix:tt $unit:ident])+) => {
$crate::prelude::UnitDefinition {
jsonld: $crate::prelude::default_unitdefinition_jsonld_header(),
additional_properties: None,
id: None,
name: format!("1 / {}", $crate::build_unit_name!($([$prefix $unit])+)).into(),
base_units: $crate::collect_base_units!(-1; $([$prefix $unit])+),
Expand All @@ -87,6 +91,8 @@ macro_rules! inverse_unit {
macro_rules! ratio_unit {
($([$num_prefix:tt $num_unit:ident])+; $([$den_prefix:tt $den_unit:ident])+) => {
$crate::prelude::UnitDefinition {
jsonld: $crate::prelude::default_unitdefinition_jsonld_header(),
additional_properties: None,
id: None,
name: format!(
"{} / {}",
Expand All @@ -107,6 +113,8 @@ macro_rules! ratio_unit {
macro_rules! simple_unit {
($([$prefix:tt $unit:ident])+) => {
$crate::prelude::UnitDefinition {
jsonld: $crate::prelude::default_unitdefinition_jsonld_header(),
additional_properties: None,
id: None,
name: $crate::build_unit_name!($([$prefix $unit])+).into(),
base_units: $crate::collect_base_units!(1; $([$prefix $unit])+),
Expand Down Expand Up @@ -140,6 +148,7 @@ mod tests {
#[test]
fn test_unit_ratio_macro() {
let unit = unit!([_ mole] / [_ liter]);
assert_eq!(unit.additional_properties, None);
assert_eq!(unit.name, Some("mole / liter".to_string()));
assert_eq!(unit.base_units.len(), 2);
assert_eq!(unit.base_units[0].kind, UnitType::Mole);
Expand All @@ -153,6 +162,7 @@ mod tests {
#[test]
fn test_unit_ratio_macro_with_prefix() {
let unit = unit!([m mol] / [_ liter]);
assert_eq!(unit.additional_properties, None);
assert_eq!(unit.name, Some("mmol / liter".to_string()));
assert_eq!(unit.base_units.len(), 2);
assert_eq!(unit.base_units[0].kind, UnitType::Mole);
Expand Down
10 changes: 10 additions & 0 deletions src/sbml/reader.rs
Original file line number Diff line number Diff line change
Expand Up @@ -317,6 +317,7 @@ impl TryFrom<&Compartment<'_>> for Vessel {
volume: compartment.size().unwrap_or(1.0),
unit,
constant: compartment.constant().unwrap_or(true),
..Default::default()
})
}
}
Expand Down Expand Up @@ -357,6 +358,7 @@ impl TryFrom<&Species<'_>> for SmallMolecule {
inchikey: None,
synonymous_names: vec![],
references: vec![],
..Default::default()
};

annotation.apply(&mut smallmol);
Expand Down Expand Up @@ -401,6 +403,7 @@ impl TryFrom<&Species<'_>> for Protein {
ecnumber: None,
organism: None,
organism_tax_id: None,
..Default::default()
};

annotation.apply(&mut protein);
Expand Down Expand Up @@ -441,6 +444,7 @@ impl TryFrom<&Species<'_>> for Complex {
constant: species.constant(),
vessel_id: species.compartment(),
participants: vec![],
..Default::default()
};

annotation.apply(&mut complex);
Expand Down Expand Up @@ -468,6 +472,7 @@ impl TryFrom<&KineticLaw<'_>> for Equation {
equation: kinetic_law.formula(),
equation_type: EquationType::RateLaw,
variables: vec![],
..Default::default()
})
}
}
Expand Down Expand Up @@ -533,6 +538,7 @@ impl TryFrom<&SBMLReaction<'_>> for Reaction {
products,
modifiers,
kinetic_law,
..Default::default()
})
}
}
Expand All @@ -554,6 +560,7 @@ impl TryFrom<&SpeciesReference<'_>> for ReactionElement {
Ok(ReactionElement {
species_id: species_reference.species(),
stoichiometry: species_reference.stoichiometry(),
..Default::default()
})
}
}
Expand All @@ -577,6 +584,7 @@ impl TryFrom<&ModifierSpeciesReference<'_>> for ModifierElement {
Ok(ModifierElement {
species_id: modifier_species_reference.species(),
role: ModifierRole::Biocatalyst,
..Default::default()
})
}
}
Expand Down Expand Up @@ -619,6 +627,7 @@ impl TryFrom<&SBMLParameter<'_>> for Parameter {
stderr: None,
constant: parameter.constant(),
fit: None,
..Default::default()
};

annotation.apply(&mut parameter);
Expand Down Expand Up @@ -706,6 +715,7 @@ impl TryFrom<&Rule<'_>> for Equation {
equation: rate_rule.formula(),
equation_type,
variables: vec![],
..Default::default()
})
}
}
Expand Down
2 changes: 2 additions & 0 deletions src/sbml/units.rs
Original file line number Diff line number Diff line change
Expand Up @@ -115,6 +115,7 @@ impl TryFrom<&SBMLUnitDefinition<'_>> for UnitDefinition {
id: Some(unit_definition.id()),
name: unit_definition.name(),
base_units,
..Default::default()
})
}
}
Expand Down Expand Up @@ -153,6 +154,7 @@ impl TryFrom<&SBMLUnit<'_>> for BaseUnit {
exponent: unit.exponent().into(),
multiplier: unit.multiplier().into(),
scale: Some(unit.scale().into()),
..Default::default()
})
}
}
Expand Down
1 change: 1 addition & 0 deletions src/sbml/v1/extract.rs
Original file line number Diff line number Diff line change
Expand Up @@ -301,6 +301,7 @@ fn create_measurement_data(
time: vec![],
data_type,
is_simulated: None,
..Default::default()
};

// Extract time-series data if available
Expand Down
2 changes: 2 additions & 0 deletions src/sbml/v2/extract.rs
Original file line number Diff line number Diff line change
Expand Up @@ -362,6 +362,7 @@ impl From<&MeasurementAnnot> for Measurement {
ph: conditions.ph.and_then(|ph| ph.value),
temperature: conditions.temperature.and_then(|temp| temp.value),
temperature_unit: None,
..Default::default()
}
}
}
Expand Down Expand Up @@ -400,6 +401,7 @@ impl From<&SpeciesDataAnnot> for MeasurementData {
time_unit: None,
data_type: Some(species_data.data_type.clone()),
is_simulated: None,
..Default::default()
}
}
}
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