Fix some bugs

Cargo.lock

@@ -2,6 +2,53 @@
 # It is not intended for manual editing.
 version = 4
 
+[[package]]
+name = "aho-corasick"
+version = "1.1.4"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "ddd31a130427c27518df266943a5308ed92d4b226cc639f5a8f1002816174301"
+dependencies = [
+ "memchr",
+]
+
 [[package]]
 name = "cea-rs"
 version = "0.1.0"
+dependencies = [
+ "regex",
+]
+
+[[package]]
+name = "memchr"
+version = "2.8.0"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "f8ca58f447f06ed17d5fc4043ce1b10dd205e060fb3ce5b979b8ed8e59ff3f79"
+
+[[package]]
+name = "regex"
+version = "1.12.3"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "e10754a14b9137dd7b1e3e5b0493cc9171fdd105e0ab477f51b72e7f3ac0e276"
+dependencies = [
+ "aho-corasick",
+ "memchr",
+ "regex-automata",
+ "regex-syntax",
+]
+
+[[package]]
+name = "regex-automata"
+version = "0.4.14"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "6e1dd4122fc1595e8162618945476892eefca7b88c52820e74af6262213cae8f"
+dependencies = [
+ "aho-corasick",
+ "memchr",
+ "regex-syntax",
+]
+
+[[package]]
+name = "regex-syntax"
+version = "0.8.10"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "dc897dd8d9e8bd1ed8cdad82b5966c3e0ecae09fb1907d58efaa013543185d0a"

Cargo.toml

@@ -4,3 +4,4 @@ version = "0.1.0"
 edition = "2024"
 
 [dependencies]
+regex = "1"

src/properties/mod.rs

@@ -1,8 +1,8 @@
 mod data;
 mod error;
-mod thermo_db;
+pub mod thermo_db;
 mod thermo_fit;
-mod transport_db;
+pub mod transport_db;
 mod transport_fit;
 mod utils;
 

src/properties/thermo_db.rs

@@ -5,7 +5,6 @@ use crate::properties::{
     utils::parse_fields,
 };
 
-
 pub struct ThermoDB {
     pub products: Vec<SpeciesThermoData>,
     pub reactants: Vec<SpeciesThermoData>,
@@ -136,7 +135,7 @@ fn parse_polynomial_block<'a>(
 
     let temp_hi: f64 = splits[1]
         .parse()
-        .map_err(|_| make_parse_error("temp_hi", "f64", &splits[0]))?;
+        .map_err(|_| make_parse_error("temp_hi", "f64", &splits[1]))?;
 
     // Now parse the first 5 coefficients
     let line = lines.next().ok_or(PropertiesError::InvalidFile)?;

src/properties/transport_db.rs

@@ -24,7 +24,7 @@ impl TransportDB {
             data.push(parse_species_transport_block(&mut lines)?);
 
             if let Some(line) = lines.peek() {
-                if line.contains("end") {
+                if line.to_lowercase().contains("end") {
                     break;
                 }
             } else {
@@ -69,7 +69,7 @@ fn parse_species_header_line(line: &str) -> Result<(String, usize, usize), Prope
 
     let conductivity_count: usize = splits[4]
         .parse()
-        .map_err(|_| make_parse_error("C", "usize", &splits[2]))?;
+        .map_err(|_| make_parse_error("C", "usize", &splits[4]))?;
     Ok((name, viscosity_count, conductivity_count))
 }
 

src/properties/utils.rs

@@ -1,11 +1,19 @@
+use std::sync::LazyLock;
+use regex::Regex;
+
+// Matches Fortran D exponent (1.23D+04, 1.23D-04, 1.23D 04) and E exponent with a space
+// (1.23E 04). Captures: digit before, optional sign, digit after — drops any space.
+static FORTRAN_EXP: LazyLock<Regex> = LazyLock::new(|| {
+    Regex::new(r"([0-9])[DE]([+\-]?) ?([0-9])").unwrap()
+});
+
 pub fn parse_fields(line: &str, widths: &[usize]) -> Vec<String> {
     let mut fields = Vec::new();
     let mut pos = 0;
 
     for &width in widths {
         if let Some(field) = line.get(pos..pos + width) {
-            // The replace changes the fortran formatted D exponential for the normal E exponential
-            fields.push(field.trim().replace("D", "E").replace("E ", "E"));
+            fields.push(FORTRAN_EXP.replace_all(field.trim(), "${1}E${2}${3}").into_owned());
         }
         pos += width;
     }