openms-insight 0.1.10__py3-none-any.whl → 0.1.11__py3-none-any.whl

openms_insight/preprocessing/compression.py

@@ -238,9 +238,10 @@ def downsample_2d_simple(
     data: Union[pl.LazyFrame, pl.DataFrame],
     max_points: int = 20000,
     intensity_column: str = "intensity",
+    descending: bool = True,
 ) -> pl.LazyFrame:
     """
-    Simple downsampling by keeping highest-intensity points.
+    Simple downsampling by keeping top-priority points.
 
     A simpler alternative to downsample_2d that doesn't require scipy.
     Less spatially aware but still preserves important peaks.
@@ -249,6 +250,7 @@ def downsample_2d_simple(
         data: Input data as Polars LazyFrame or DataFrame
         max_points: Maximum number of points to keep
         intensity_column: Name of intensity column for ranking
+        descending: If True (default), keep highest values. If False, keep lowest.
 
     Returns:
         Downsampled data as Polars LazyFrame
@@ -256,7 +258,7 @@ def downsample_2d_simple(
     if isinstance(data, pl.DataFrame):
         data = data.lazy()
 
-    return data.sort(intensity_column, descending=True).head(max_points)
+    return data.sort(intensity_column, descending=descending).head(max_points)
 
 
 def downsample_2d_streaming(
@@ -269,6 +271,7 @@ def downsample_2d_streaming(
     y_bins: int = 50,
     x_range: Optional[tuple] = None,
     y_range: Optional[tuple] = None,
+    descending: bool = True,
 ) -> pl.LazyFrame:
     """
     Streaming 2D downsampling using pure Polars operations.
@@ -287,6 +290,8 @@ def downsample_2d_streaming(
         y_bins: Number of bins along y-axis
         x_range: Optional (min, max) tuple for x-axis. If None, computed from data.
         y_range: Optional (min, max) tuple for y-axis. If None, computed from data.
+        descending: If True (default), keep highest intensity per bin.
+            If False, keep lowest intensity per bin.
 
     Returns:
         Downsampled data as Polars LazyFrame (fully lazy, no collection)
@@ -319,7 +324,7 @@ def downsample_2d_streaming(
 
         result = (
             data.with_columns([x_bin_expr, y_bin_expr])
-            .sort(intensity_column, descending=True)
+            .sort(intensity_column, descending=descending)
             .group_by(["_x_bin", "_y_bin"])
             .head(points_per_bin)
             .drop(["_x_bin", "_y_bin"])
@@ -349,7 +354,7 @@ def downsample_2d_streaming(
                     .alias("_y_bin"),
                 ]
             )
-            .sort(intensity_column, descending=True)
+            .sort(intensity_column, descending=descending)
             .group_by(["_x_bin", "_y_bin"])
             .head(points_per_bin)
             .drop(["_x_bin", "_y_bin"])

openms_insight/rendering/bridge.py

@@ -271,7 +271,16 @@ def _prepare_vue_data_cached(
                 data_hash = _hash_data(vue_data)
                 return vue_data, data_hash
         else:
-            # No dynamic annotations - return cached as-is
+            # No dynamic annotations - ensure _plotConfig is present
+            # When annotations are cleared, Vue needs _plotConfig with null columns
+            # to stop showing stale annotations (Vue merge only updates keys present)
+            if hasattr(component, "_build_plot_config"):
+                vue_data = dict(cached_data)
+                vue_data["_plotConfig"] = component._build_plot_config(
+                    getattr(component, "_highlight_column", None),
+                    getattr(component, "_annotation_column", None),
+                )
+                return vue_data, cached_hash
             return cached_data, cached_hash
 
     # Cache miss - compute data
@@ -405,9 +414,10 @@ def _validate_interactivity_selections(
 
         data = data.filter(pl.col(column) == selected_value)
 
-    # Validate each interactivity selection against filtered data
+    # Collect all checks to validate
     state_changed = False
     schema = data.collect_schema()
+    checks_to_validate: list[tuple[str, str, Any]] = []
 
     for identifier, column in interactivity.items():
         selected_value = state.get(identifier)
@@ -423,19 +433,30 @@ def _validate_interactivity_selections(
             if isinstance(selected_value, float) and selected_value.is_integer():
                 selected_value = int(selected_value)
 
-        # Check if value exists in filtered data (efficient: only fetch 1 row)
-        exists = (
-            data.filter(pl.col(column) == selected_value).head(1).collect().height > 0
-        )
+        checks_to_validate.append((identifier, column, selected_value))
+
+    # Early return if nothing to validate
+    if not checks_to_validate:
+        return False
+
+    # Build single query with all existence checks
+    existence_exprs = [
+        (pl.col(column) == value).any().alias(identifier)
+        for identifier, column, value in checks_to_validate
+    ]
+
+    # Execute ONE query instead of N
+    results = data.select(existence_exprs).collect().row(0, named=True)
 
-        if not exists:
-            # Selection is invalid - clear it
+    # Process results and clear invalid selections
+    for identifier, _column, value in checks_to_validate:
+        if not results[identifier]:
             state_manager.set_selection(identifier, None)
             state_changed = True
             if _DEBUG_STATE_SYNC:
                 _logger.warning(
                     f"[Bridge:{component._cache_id}] Cleared invalid selection: "
-                    f"{identifier}={selected_value} not in filtered data"
+                    f"{identifier}={value} not in filtered data"
                 )
 
     return state_changed
@@ -764,6 +785,7 @@ def render_component(
             if st.session_state.get(ann_hash_key) is not None:
                 annotations_changed = True
                 st.session_state[ann_hash_key] = None
+            _store_component_annotations(key, None)
 
         if annotations_changed:
             state_changed = True

{openms_insight-0.1.10.dist-info → openms_insight-0.1.11.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: openms-insight
-Version: 0.1.10
+Version: 0.1.11
 Summary: Interactive visualization components for mass spectrometry data in Streamlit
 Project-URL: Homepage, https://github.com/t0mdavid-m/OpenMS-Insight
 Project-URL: Documentation, https://github.com/t0mdavid-m/OpenMS-Insight#readme
@@ -243,7 +243,9 @@ Heatmap(
 - `min_points`: Target size for downsampling (default: 20000)
 - `x_bins`, `y_bins`: Grid resolution for spatial binning
 - `colorscale`: Plotly colorscale name (default: 'Portland')
+- `reversescale`: Invert colorscale direction (default: False)
 - `log_scale`: Use log10 color mapping (default: True). Set to False for linear.
+- `low_values_on_top`: Prioritize low values during downsampling and display them on top (default: False). Use for scores where lower = better (e.g., e-values, PEP, q-values).
 - `intensity_label`: Custom colorbar label (default: 'Intensity')
 
 **Linear scale example:**
@@ -260,6 +262,24 @@ Heatmap(
 )
 ```
 
+**Low values on top (PSM scores):**
+For identification results where lower scores indicate better matches (e.g., e-values, PEP, q-values), use `low_values_on_top=True` to preserve low-scoring points during downsampling and display them on top of high-scoring points:
+
+```python
+Heatmap(
+    cache_id="psm_evalue",
+    data_path="psm_data.parquet",
+    x_column='rt',
+    y_column='mz',
+    intensity_column='e_value',
+    log_scale=True,               # Log scale for e-values
+    low_values_on_top=True,       # Keep/show low e-values (best hits)
+    reversescale=True,            # Bright color = low value = best
+    intensity_label='E-value',
+    colorscale='Portland',
+)
+```
+
 **Categorical mode:**
 Use `category_column` for discrete coloring by category instead of continuous intensity colorscale:
 

{openms_insight-0.1.10.dist-info → openms_insight-0.1.11.dist-info}/RECORD

@@ -1,9 +1,9 @@
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+openms_insight/__init__.py,sha256=tmst1YCzXuVLQAs7Hzit5idMPmJsAqn3djpV8fVduYU,1112
 openms_insight/components/__init__.py,sha256=Lcg-D0FILta-YVgMJBlWMKLKC5G5kXOqdy9hBOENABw,233
-openms_insight/components/heatmap.py,sha256=psrdW4gNzZR1jAIox9YS9EHaZaTRrDHFR0t2_0APU9Y,47214
+openms_insight/components/heatmap.py,sha256=Yek06-TCDformcR42VeUCu0d7WDtRQPCpNQ5kOnfv5w,48372
 openms_insight/components/lineplot.py,sha256=I-JPvDzCr3Nu8Boc1V4D8QQ1bHgTqvM6CbeoIe7zJ-s,30896
 openms_insight/components/sequenceview.py,sha256=ufvtzuU9zaAybsT3pqfqIR0ZHCl7dKJ-jk3kwJALr54,31241
-openms_insight/components/table.py,sha256=0LiJetxECoGLZqhkUhDXp1_92FYgGeajm4zDTWjfc1U,42146
+openms_insight/components/table.py,sha256=gmgWlsd5GXV2NRkYoDmhi4asaS0pzwoW0C4yf5jI_cI,42740
 openms_insight/components/volcanoplot.py,sha256=F-cmYxJMKXVK-aYJpifp8be7nB8hkQd2kLi9DrBElD8,15155
 openms_insight/core/__init__.py,sha256=EPjKX_FFQRgO8mWHs59I-o0BiuzEMzEU1Pfu9YOfLC4,338
 openms_insight/core/base.py,sha256=h0OaubHLky8mk7Yfy3HTIimsz-DfuNRgLfotJu3pZVw,20517
@@ -12,19 +12,19 @@ openms_insight/core/registry.py,sha256=Hak80Jqhx0qa4gbd1YolNZnM6xBrS8I4U_X7zC0bQ
 openms_insight/core/state.py,sha256=CMToxxNyGnqxMccwOcn7FwABNTzjjTsgsMrJCZOZc2o,12438
 openms_insight/core/subprocess_preprocess.py,sha256=m9FbAAFy9Do1Exlh-m4Wo-LDwv6yHlEI4klz5OVwemc,3133
 openms_insight/preprocessing/__init__.py,sha256=xoGdhNVrX8Ty3ywmyaCcWAO3a6QlKceO1xxsy1C8ZTI,596
-openms_insight/preprocessing/compression.py,sha256=T4YbX9PUlfTfPit_kpuLZn8hYpqLYu3xtTme_CG2ymc,12241
+openms_insight/preprocessing/compression.py,sha256=jHcZqjcFCKb4rRns4PY2DglQecbO0cSThB523bUvUtM,12519
 openms_insight/preprocessing/filtering.py,sha256=fkmaIXfR5hfjyWfaMYqaeybMHaZjvUZYaKCqvxPOWMQ,14152
 openms_insight/preprocessing/scatter.py,sha256=2ifCNTUKHEW9UVpv4z9c5GaLnz5zw9o1119IenzAe9s,4703
 openms_insight/rendering/__init__.py,sha256=ApHvKeh87yY4GTIEai-tCeIXpNbwOXWlmcmIwMMRZYc,198
-openms_insight/rendering/bridge.py,sha256=yl8QmeGnoaK2ZM4kf-XQW47o4DZ5S2lnkL0Iu7C5CjE,30331
+openms_insight/rendering/bridge.py,sha256=xFM74gbyzQHFmKt61-hk2ouYZ7KAG7HHosvwmKNBY_M,31311
 openms_insight/js-component/dist/index.html,sha256=LSJ3B_YmGUrCCdZ1UaZO2p6Wqsih6nTH62Z_0uZxpD8,430
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 openms_insight/js-component/dist/assets/materialdesignicons-webfont.eot,sha256=CxgxBNL8XyYZbnc8d72vLgVQn9QlnS0V7O3Kebh-hPk,1307880
 openms_insight/js-component/dist/assets/materialdesignicons-webfont.ttf,sha256=YeirpaTpgf4iz3yOi82-oAR251xiw38Bv37jM2HWhCg,1307660
 openms_insight/js-component/dist/assets/materialdesignicons-webfont.woff,sha256=pZKKDVwvYk5G-Y2bFcL2AEU3f3xZTdeKF1kTLqO0Y-s,587984
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-openms_insight-0.1.10.dist-info/licenses/LICENSE,sha256=INFF4rOMmpah7Oi14hLqu7NTOsx56KRRNChAAUcfh2E,1823
-openms_insight-0.1.10.dist-info/RECORD,,
+openms_insight-0.1.11.dist-info/METADATA,sha256=J4jpnQDVfM73lukRzb5JLGZjqeUt-lzbfdtsnMIm8x8,17708
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+openms_insight-0.1.11.dist-info/licenses/LICENSE,sha256=INFF4rOMmpah7Oi14hLqu7NTOsx56KRRNChAAUcfh2E,1823
+openms_insight-0.1.11.dist-info/RECORD,,