mirror of
https://github.com/dnlbauer/WHAM.git
synced 2026-09-10 22:25:31 +00:00
integration test for max iterations
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@@ -7,7 +7,7 @@ mod integration {
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use fs;
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#[test]
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fn calling_wham_without_args() {
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fn no_args() {
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let output = Command::new("./target/debug/wham")
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.output()
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.expect("failed to execute process");
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@@ -17,7 +17,7 @@ mod integration {
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}
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#[test]
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fn calling_wham_with_data_out_of_bonds() {
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fn data_out_of_bonds() {
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let output = Command::new("./target/debug/wham")
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.args(&["--bins", "100", "--min", "2.0", "--max", "3.0", "-T", "300"])
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.args(&["-f", "example/1d/metadata.dat"])
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@@ -32,7 +32,7 @@ mod integration {
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}
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#[test]
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fn calling_wham_with_unparseable_bias_pos() {
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fn unparseable_bias_pos() {
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let output = Command::new("./target/debug/wham")
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.args(&["--bins", "100", "--min", "-3.0", "--max", "3.0", "-T", "300"])
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.args(&["-f", "tests/metadata_unparseable1.dat"])
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@@ -47,7 +47,7 @@ mod integration {
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}
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#[test]
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fn calling_wham_with_unparseable_bias_fc() {
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fn unparseable_bias_fc() {
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let output = Command::new("./target/debug/wham")
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.args(&["--bins", "100", "--min", "-3.0", "--max", "3.0", "-T", "300"])
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.args(&["-f", "tests/metadata_unparseable2.dat"])
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@@ -62,7 +62,23 @@ mod integration {
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}
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#[test]
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fn calling_wham_1d() {;
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fn no_convergence() {
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let output = Command::new("./target/debug/wham")
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.args(&["--bins", "100", "--min", "-3.0", "--max", "3.0", "-T", "300"])
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.args(&["--iterations", "10"])
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.args(&["-f", "example/1d/metadata.dat"])
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.args(&["-o", "/dev/null"])
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.output()
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.expect("failed to execute process");
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let output = String::from_utf8_lossy(&output.stderr);
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println!("{}", output);
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assert!(output.to_string().contains(
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"Error: WHAM not converged! (max iterations reached)"
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));
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}
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#[test]
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fn wham_1d() {;
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Command::new("./target/debug/wham")
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.args(&["--bins", "100", "--max", "3.14", "--min", "-3.14", "-T", "300", "--cyclic"])
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.args(&["-f", "example/1d/metadata.dat"])
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@@ -82,7 +98,7 @@ mod integration {
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#[test]
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#[ignore] // expensive
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fn calling_wham_2d() {;
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fn wham_2d() {;
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Command::new("./target/debug/wham")
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.args(&["--bins", "100,100", "--max", "3.14,3.14", "--min", "-3.14,-3.14", "-T", "300", "--cyclic"])
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.args(&["-f", "example/2d/metadata_unparseable1.dat"])
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