Add method to create fraction

fau-advanced-separations · Jan 10, 2024 · 6fd2b4f · 6fd2b4f
1 parent ab88659
commit 6fd2b4f
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Showing 2 changed files with 25 additions and 3 deletions.
diff --git a/CADETProcess/fractionation/fractionator.py b/CADETProcess/fractionation/fractionator.py
@@ -426,9 +426,9 @@ def _create_fraction(self, chrom_index, start, end):
             Chromatogram fraction
 
         """
-        mass = self.chromatograms[chrom_index].fraction_mass(start, end)
-        volume = self.chromatograms[chrom_index].fraction_volume(start, end)
-        return Fraction(mass, volume)
+        fraction = self.chromatograms[chrom_index].create_fraction(start, end)
+
+        return fraction
 
     def add_fraction(self, fraction, target):
         """Add Fraction to the FractionPool of target component.

diff --git a/CADETProcess/solution.py b/CADETProcess/solution.py
@@ -447,6 +447,28 @@ def integral(self, start=None, end=None):
 
         return self.solution_interpolated.integral(start, end)
 
+    def create_fraction(self, start=None, end=None):
+        """Create fraction in interval [start, end].
+
+        Parameters
+        ----------
+        start : float
+            Start time of the fraction
+
+        end: float
+            End time of the fraction
+
+        Returns
+        -------
+        fraction : Fraction
+            Fraction
+
+        """
+        from CADETProcess.fractionation import Fraction
+        mass = self.fraction_mass(start, end)
+        volume = self.fraction_volume(start, end)
+        return Fraction(mass, volume)
+
     def fraction_mass(self, start=None, end=None):
         """Component mass in a fraction interval