test convdt

tests/examples.rs

@@ -6,6 +6,8 @@ mod integration {
     use std::process::Command;
     use std::fs;
     use super::command::get_command;
+    use std::fs::OpenOptions;
+    use std::io::prelude::*;
 
     #[test]
     fn wham_1d_cyclic() {
@@ -51,6 +53,65 @@ mod integration {
         std::fs::remove_file(output_file).unwrap();
     }
 
+    #[test]
+    // Test if convdt runs have the same result as normal runs
+    fn wham_convdt() {
+        // run wham with convdt
+        let output_file = "/tmp/wham_test_convdt.out";
+        get_command()
+            .args(&["--bins", "10", "--max", "pi", "--min", "-pi", "-T", "300", "--cyclic"])
+            .args(&["--seed", "1234"])
+            .args(&["--start", "0", "--end", "100"])
+            .args(&["--convdt", "10"])
+            .args(&["-f", "example/1d_cyclic/metadata.dat"])
+            .args(&["-o", output_file])
+            .output()
+            .expect("failed to execute process");
+        assert!(fs::metadata(output_file).is_ok());
+
+        // run wham for individual sets
+        for i in (10..110).step_by(10) {
+            let output_file_single = format!("/tmp/wham_test_convdt_{}.out", i);
+            get_command()
+                .args(&["--bins", "10", "--max", "pi", "--min", "-pi", "-T", "300", "--cyclic"])
+                .args(&["--seed", "1234"])
+                .args(&["--start", "0", "--end", &i.to_string()])
+                .args(&["-f", "example/1d_cyclic/metadata.dat"])
+                .args(&["-o", &output_file_single])
+                .output()
+                .expect("failed to execute process");
+            assert!(fs::metadata(output_file_single).is_ok());
+        }
+
+        // combine individual runs
+        let output_combined = "/tmp/wham_test_convdt_combined.out";
+        let mut file = OpenOptions::new()
+            .create(true)
+            .write(true)
+            .open(output_combined)
+            .unwrap();
+        for i in 1..11 {
+            let output_file_single = format!("/tmp/wham_test_convdt_{}.out", i*10);
+            println!("{}", output_file_single);
+            file.write_all(format!("#Dataset {}\n", i-1).as_bytes()).unwrap();
+            file.write_all(fs::read_to_string(output_file_single.clone()).unwrap().as_bytes()).unwrap();
+            std::fs::remove_file(output_file_single).unwrap();
+        }
+
+        // compare combined runs with single run
+        let output = Command::new("diff")
+            .arg(output_file)
+            .arg(output_combined)
+            .output()
+            .expect("failed to run diff");
+        let output_len = String::from_utf8_lossy(&output.stdout).len();
+        assert_eq!(output_len, 0);
+
+        std::fs::remove_file(output_combined).unwrap();
+        std::fs::remove_file(output_file).unwrap();
+        
+    }
+
     #[test]
     #[ignore] // expensive
     fn wham_2d_cyclic() {
@@ -62,7 +123,7 @@ mod integration {
             .output()
             .expect("failed to execute process");
 
-        assert!(fs::metadata("/tmp/wham_test_2d_cyclic.out").is_ok());
+        assert!(fs::metadata(output_file).is_ok());
         let output = Command::new("diff")
             .arg(output_file)
             .arg("example/2d_cyclic/wham.out")