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base: aselimov:1279bf8e049918f1cdd5a63fd444b1900404557f
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aselimov:master
aselimov:gas_Model
aselimov:thermo-calcs
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compare: aselimov:c77f04d25f049a0911254e6b11326b9a899437a8
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aselimov:gas_Model
aselimov:master
aselimov:thermo-calcs

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1279bf8e04 ... c77f04d25f

1 changed files with 57 additions and 183 deletions
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136
src/properties/thermo_db.rs
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@ -4,7 +4,7 @@ use crate::properties::{
polynomials::{Phase, Polynomial, SpeciesElement, SpeciesPolynomial},
};
fn parse_fields(line: &str, widths: &[usize]) -> Vec<String> {
fn parse_fields<'a>(line: &'a str, widths: &[usize]) -> Vec<String> {
let mut fields = Vec::new();
let mut pos = 0;
@ -44,13 +44,12 @@ impl ThermoDB {
// Parse species block
if species_block {
species.push(parse_species(&mut lines)?);
species.push(Self::parse_species(&mut lines)?);
}
//TODO Distinguish between products and reactants
}
todo!()
}
}
fn parse_species<'a>(
lines: &mut impl Iterator<Item = &'a str>,
@ -63,7 +62,6 @@ fn parse_species<'a>(
let name = line
.get(0..16)
.ok_or(PropertiesError::InvalidLine("name".to_string()))?
.trim()
.to_string();
// line 2
@ -112,6 +110,7 @@ fn parse_species<'a>(
h_formation,
})
}
}
fn parse_polynomials_block<'a>(
lines: &mut impl Iterator<Item = &'a str>,
@ -168,13 +167,7 @@ fn parse_polynomial_block<'a>(
#[cfg(test)]
mod test {
use crate::{
assert_delta, assert_vec_delta,
properties::{
polynomials::Phase,
thermo_db::{parse_polynomial_block, parse_polynomials_block, parse_species},
},
};
use crate::{assert_delta, assert_vec_delta, properties::thermo_db::parse_polynomial_block};
#[test]
fn test_parse_polynomial_block() {
@ -198,125 +191,6 @@ mod test {
assert_vec_delta!(real, polynomial.a, 1e-9);
assert_delta!(polynomial.temp_range.0, 1000.000, 1e-3);
assert_delta!(polynomial.temp_range.1, 6000.000, 1e-3);
}
#[test]
fn test_parse_polynomials_block() {
let polynomials_block = r#" 300.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6918.671
5.006608890D+03 1.861304407D+01 2.412531111D+00 1.987604647D-04-2.432362152D-07
1.538281506D-10-3.944375734D-14 3.887412680D+04 6.086585765D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6918.671
-2.920820938D+04 1.167751876D+02 2.356906505D+00 7.737231520D-05-1.529455262D-08
-9.971670260D-13 5.053278264D-16 3.823288650D+04 6.600920155D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6918.671
-5.040682320D+08 3.802322650D+05-1.082347159D+02 1.549444292D-02-1.070103856D-06
3.592110900D-11-4.696039394D-16 -2.901050501D+06 9.491883160D+02"#;
let mut lines = polynomials_block.lines();
let polynomials = parse_polynomials_block(&mut lines, 3).unwrap();
let real_coeff_1 = [
5.006608890e+03,
1.861304407e+01,
2.412531111e+00,
1.987604647e-04,
-2.432362152e-07,
1.538281506e-10,
-3.944375734e-14,
3.887412680e+04,
6.086585765e+00,
];
assert_vec_delta!(real_coeff_1, polynomials[0].a, 1e-9);
assert_delta!(polynomials[0].temp_range.0, 300.000, 1e-3);
assert_delta!(polynomials[0].temp_range.1, 1000.000, 1e-3);
let real_coeff_2 = [
-2.920820938e+04,
1.167751876e+02,
2.356906505e+00,
7.737231520e-05,
-1.529455262e-08,
-9.971670260e-13,
5.053278264e-16,
3.823288650e+04,
6.600920155e+00,
];
assert_vec_delta!(real_coeff_2, polynomials[1].a, 1e-9);
assert_delta!(polynomials[1].temp_range.0, 1000.000, 1e-3);
assert_delta!(polynomials[1].temp_range.1, 6000.000, 1e-3);
let real_coeff_3 = [
-5.040682320e+08,
3.802322650e+05,
-1.082347159e+02,
1.549444292e-02,
-1.070103856e-06,
3.592110900e-11,
-4.696039394e-16,
-2.901050501e+06,
9.491883160e+02,
];
assert_vec_delta!(real_coeff_3, polynomials[2].a, 1e-9);
assert_delta!(polynomials[2].temp_range.0, 6000.000, 1e-3);
assert_delta!(polynomials[2].temp_range.1, 20000.000, 1e-3);
}
#[test]
fn test_parse_species() {
let species = r#"ALBr2 Gurvich,1996a pt1 p186 pt2 p149.
2 tpis96 AL 1.00BR 2.00 0.00 0.00 0.00 0 186.7895380 -140662.125
300.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13397.875
3.199375870D+04-7.119178970D+02 9.478258110D+00-4.875531670D-03 5.516512990D-06
-3.340053040D-09 8.368476840D-13 -1.540591306D+04-1.742171366D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13397.875
-3.523782900D+05 4.671544170D+02 7.111908190D+00-5.551709200D-04 3.166301130D-07
-5.521028330D-11 3.176725950D-15 -2.265004078D+04-2.695610360D+00"#;
let mut lines = species.lines();
let species = parse_species(&mut lines).unwrap();
assert_eq!(species.name, "ALBr2");
assert_eq!(species.elements.len(), 2);
assert_eq!(species.elements[0].element, "AL");
assert_eq!(species.elements[0].count, 1.0);
assert_eq!(species.elements[1].element, "BR");
assert_eq!(species.elements[1].count, 2.0);
assert!(matches!(species.phase, Phase::Gas));
assert_delta!(species.molecular_weight, 186.7895380, 1e-7);
assert_delta!(species.h_formation, -140662.125, 1e-3);
let real_coeff_1 = [
3.199375870e+04,
-7.119178970e+02,
9.478258110e+00,
-4.875531670e-03,
5.516512990e-06,
-3.340053040e-09,
8.368476840e-13,
-1.540591306e+04,
-1.742171366e+01,
];
assert_vec_delta!(species.polynomials[0].a, real_coeff_1, 1e-9);
assert_delta!(species.polynomials[0].temp_range.0, 300.000, 1e-3);
assert_delta!(species.polynomials[0].temp_range.1, 1000.000, 1e-3);
let real_coeff_2 = [
-3.523782900e+05,
4.671544170e+02,
7.111908190e+00,
-5.551709200e-04,
3.166301130e-07,
-5.521028330e-11,
3.176725950e-15,
-2.265004078e+04,
-2.695610360e+00,
];
assert_vec_delta!(species.polynomials[1].a, real_coeff_2, 1e-9);
assert_delta!(species.polynomials[1].temp_range.0, 1000.000, 1e-3);
assert_delta!(species.polynomials[1].temp_range.1, 6000.000, 1e-3);
assert_delta!(polynomial.temp_range.1, 6000.0007, 1e-3);
}
}