added tests in R, Python and core Java implementations related to Mas…

…sBank/MassBank-data#248
ssmehta · Nov 14, 2023 · dc775bb · dc775bb
1 parent 030b4a5
commit dc775bb
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diff --git a/core/src/test/java/edu/ucdavis/fiehnlab/spectra/hash/core/impl/SplashVersion1Test.java b/core/src/test/java/edu/ucdavis/fiehnlab/spectra/hash/core/impl/SplashVersion1Test.java
@@ -410,4 +410,24 @@ public void testSplashHistogramBinBoundaries() {
         }
     }
 
+    /**
+     * tests for the SPLASH histogram issue reported in:
+     * https://github.com/MassBank/MassBank-data/issues/248
+     */
+    @Test
+    public void testSplashItHistogramSmallIntensities() {
+
+        Splash splash = getHashImpl();
+
+        Spectrum spectrum = new SpectrumImpl(Arrays.asList(
+                new Ion(44.998, 0.2),
+                new Ion(80.0261, 0.1),
+                new Ion(93.0321, 0.4),
+                new Ion(108.0227, 0.3)
+
+        ), SpectraType.MS);
+
+        String hash = splash.splashIt(spectrum);
+        assertEquals(hash, "splash10-052f-9300000000-5cd70311703e2423a1c5");
+    }
 }
diff --git a/python/tests/test_splash.py b/python/tests/test_splash.py
@@ -25,5 +25,21 @@ def test_spectrum_3(self):
 
         self.assertEqual(Splash().splash(Spectrum(spectrum_string, SpectrumType.MS)), splash_code)
 
+    def test_small_intensities(self):
+        # tests for the initial SPLASH issue reported in:
+        # https://github.com/MassBank/MassBank-data/issues/248
+        spectrum_string = "44.998:0.2 80.0261:0.1 93.0321:0.4 108.0227:0.3"
+        splash_code = 'splash10-052f-9300000000-5cd70311703e2423a1c5'
+
+        self.assertEqual(Splash().splash(Spectrum(spectrum_string, SpectrumType.MS)), splash_code)
+
+        # using MassBank scaled intensities
+        # should yield the same histogram blocks but different hash block
+        spectrum_string = "44.998:499 80.0261:249 93.0321:999 108.0227:749"
+        splash_code = 'splash10-052f-9300000000-a485843aed0475c0a1b9'
+
+        self.assertEqual(Splash().splash(Spectrum(spectrum_string, SpectrumType.MS)), splash_code)
+
+
 if __name__ == '__main__':
     unittest.main()
diff --git a/splashR/tests/testthat/test-small-intensities.R b/splashR/tests/testthat/test-small-intensities.R
@@ -0,0 +1,16 @@
+library(splashR)
+context("Test suite")
+
+test_that("small-intensities", {
+  # tests for the SPLASH histogram issue reported in:
+  # https://github.com/MassBank/MassBank-data/issues/248
+  s <- cbind(mz=c(44.998, 80.0261, 93.0321, 108.0227),
+             intensity=c(0.2, 0.1, 0.4, 0.3))
+  expect_equal(getSplash(s), "splash10-052f-9300000000-5cd70311703e2423a1c5")
+
+  # using MassBank scaled intensities
+  # should yield the same histogram blocks but different hash block
+  s <- cbind(mz=c(44.998, 80.0261, 93.0321, 108.0227),
+             intensity=c(499, 249, 999, 749))
+  expect_equal(getSplash(s), "splash10-052f-9300000000-a485843aed0475c0a1b9")
+})