fixes

pymchelper/averaging.py

@@ -19,6 +19,7 @@
 - WeightedStatsAggregator: for calculating weighted mean and variance
 - ConcatenatingAggregator: for concatenating data
 - SumAggregator: for calculating sum instead of variance
+- NoAggregator: for cases when no aggregation is required
 
 All aggregators have `data` and `error` property, which can be used to obtain the result of the aggregation.
 The `data` property returns the result of the aggregation: mean, sum or concatenated array.
@@ -28,6 +29,7 @@
 """
 
 from dataclasses import dataclass, field
+import logging
 from typing import Union, Optional
 import numpy as np
 from numpy.typing import ArrayLike
@@ -143,8 +145,22 @@ class SumAggregator(Aggregator):
 
     def update(self, value: Union[float, ArrayLike]):
         # first value added
-        if np.isnan(self.total):
+        if np.isnan(self.data):
             self.data = value
         # subsequent values added
         else:
             self.data += value
+
+
+@dataclass
+class NoAggregator(Aggregator):
+    """
+    Class for cases when no aggregation is required.
+    Sets the data to the first value and does not update it.
+    """
+
+    def update(self, value: Union[float, ArrayLike]):
+        # set value only on first update
+        if np.isnan(self.data):
+            logging.debug("Setting data to %s", value)
+            self.data = value

pymchelper/input_output.py

@@ -1,3 +1,4 @@
+from enum import IntEnum
 import logging
 import os
 from collections import defaultdict
@@ -7,7 +8,7 @@
 
 import numpy as np
 
-from pymchelper.averaging import Aggregator, SumAggregator, WeightedStatsAggregator, ConcatenatingAggregator
+from pymchelper.averaging import Aggregator, SumAggregator, WeightedStatsAggregator, ConcatenatingAggregator, NoAggregator
 from pymchelper.estimator import ErrorEstimate, Estimator, average_with_nan
 from pymchelper.readers.topas import TopasReaderFactory
 from pymchelper.readers.fluka import FlukaReader, FlukaReaderFactory
@@ -18,6 +19,26 @@
 logger = logging.getLogger(__name__)
 
 
+class AggregationType(IntEnum):
+    """
+    Enum for different types of aggregation.
+    """
+    NoAggregation = 0
+    Sum = 1
+    AveragingCumulative = 2
+    AveragingPerPrimary = 3
+    Concatenation = 4
+
+
+_aggregator_mapping: dict[AggregationType, Aggregator] = {
+    AggregationType.NoAggregation: NoAggregator,
+    AggregationType.Sum: SumAggregator,
+    AggregationType.AveragingCumulative: WeightedStatsAggregator,
+    AggregationType.AveragingPerPrimary: WeightedStatsAggregator,
+    AggregationType.Concatenation: ConcatenatingAggregator
+}
+
+
 def guess_reader(filename):
     """
     Guess a reader based on file contents or extensions.
@@ -67,14 +88,6 @@ def fromfile(filename: str) -> Optional[Estimator]:
     return estimator
 
 
-aggregator_type: dict[int, Aggregator] = {
-    1: SumAggregator,
-    2: WeightedStatsAggregator,
-    3: WeightedStatsAggregator,
-    4: ConcatenatingAggregator
-}
-
-
 def fromfilelist(input_file_list, error: ErrorEstimate = ErrorEstimate.stderr, nan: bool = True) -> Optional[Estimator]:
     """
     Reads all files from a given list, and returns a list of averaged estimators.
@@ -103,7 +116,8 @@ def fromfilelist(input_file_list, error: ErrorEstimate = ErrorEstimate.stderr, n
         for page in result.pages:
             # got a page with "concatenate normalisation"
             current_page_normalisation = getattr(page, 'page_normalized', 2)
-            aggregator = aggregator_type[current_page_normalisation]()
+            aggregator = _aggregator_mapping.get(current_page_normalisation, WeightedStatsAggregator)()
+            logger.info("Selected aggregator %s for page %s", aggregator, page.name)
             aggregator.update(page.data_raw)
             page_aggregators.append(aggregator)
 
@@ -113,6 +127,7 @@ def fromfilelist(input_file_list, error: ErrorEstimate = ErrorEstimate.stderr, n
                 aggregator.update(current_page.data_raw)
 
         for page, aggregator in zip(result.pages, page_aggregators):
+            logger.info("Extracting data from aggregator %s for page %s", aggregator, page.name)
             page.data_raw = aggregator.data
             page.error_raw = aggregator.error()
 

pymchelper/writers/inspector.py

@@ -1,22 +1,24 @@
 import logging
+from pymchelper.estimator import Estimator
 
 logger = logging.getLogger(__name__)
 
 
 class Inspector:
+
     def __init__(self, filename, options):
         logger.debug("Initialising Inspector writer")
         self.options = options
 
-    def write(self, estimator):
+    def write(self, estimator: Estimator):
         """Print all keys and values from estimator structure
 
         they include also a metadata read from binary output file
         """
         for name, value in sorted(estimator.__dict__.items()):
             # skip non-metadata fields
             if name not in {'data', 'data_raw', 'error', 'error_raw', 'counter', 'pages'}:
-                line = "{:24s}: '{:s}'".format(str(name), str(value))
+                line = f"{name:24s}: {value}"
                 print(line)
         # print some data-related statistics
         print(75 * "*")
@@ -26,10 +28,9 @@ def write(self, estimator):
             for name, value in sorted(page.__dict__.items()):
                 # skip non-metadata fields
                 if name not in {'data', 'data_raw', 'error', 'error_raw'}:
-                    line = "\t{:24s}: '{:s}'".format(str(name), str(value))
+                    line = f"\t{name:24s}: {value}"
                     print(line)
-            print("Data min: {:g}, max: {:g}, mean: {:g}".format(
-                page.data_raw.min(), page.data_raw.max(), page.data_raw.mean()))
+            print(f"Data min: {page.data_raw.min():g}, max: {page.data_raw.max():g}, mean: {page.data_raw.mean():g}")
             print(75 * "-")
 
         if self.options.details: