skip lines with no intensity if threshold set

jveitchmichaelis · Aug 12, 2023 · 1b51b57 · 1b51b57
1 parent 997fc30
commit 1b51b57
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Showing 2 changed files with 11 additions and 6 deletions.
diff --git a/src/rascal/atlas.py b/src/rascal/atlas.py
@@ -269,10 +269,11 @@ def add_lines(
             elif line["wavelength"] > self.max_atlas_wavelength:
                 continue
 
-            if "intensity" in line and line["intensity"] < self.min_intensity:
+            if (
+                "intensity" not in line
+                or line["intensity"] < self.min_intensity
+            ):
                 continue
-            else:
-                line["intensity"] = 0
 
             self.atlas_lines.append(
                 AtlasLine(

diff --git a/test/test_atlas.py b/test/test_atlas.py
@@ -46,8 +46,12 @@ def test_load_nist_single(elements):
         )
 
         for line in nist_atlas.get_lines():
-            assert line > min_wavelength, "Line is less than min wavelength"
-            assert line < max_wavelength, "Line is greater than max wavelength"
+            assert line > (
+                min_wavelength - nist_atlas.range_tolerance
+            ), "Line is less than min wavelength"
+            assert line < (
+                max_wavelength + nist_atlas.range_tolerance
+            ), "Line is greater than max wavelength"
 
         time_end = time.perf_counter()
         elapsed = time_end - time_start
@@ -68,7 +72,7 @@ def test_load_with_min_intensity():
     )
 
     for i in nist_atlas.get_intensities():
-        assert i > min_intensity, "Line intensity is below minimum"
+        assert i >= min_intensity, "Line intensity is below minimum"
 
 
 def test_load_nist_all(elements):