ChemKED class now successfully readstemperature column from jsr yaml

Author: Sai Krishna

pyked/chemked.py

@@ -130,7 +130,7 @@ def __init__(self, yaml_file=None, dict_input=None, *, skip_validation=False):
             for point in self._properties['datapoints']:
                 csv_file = os.path.join(os.path.split(yaml_file)[0], point['csvfile'])
                 csv_df= pd.read_csv(csv_file)
-                self.datapoints.extend(SpeciesProfileDataPoint(point, csv_df))
+                self.datapoints.append(SpeciesProfileDataPoint(point, csv_df))
 
 
         self.reference = Reference(
@@ -605,9 +605,9 @@ def process_column(self, properties, csv_df):
         Process a column data and return as a list of units.Quantity objects
         csv_df is a Pandas DataFrame.
         """
-        column_name = properties['column-name']
+        column_name = properties[0]['column-name']
         data_list = []
-        for value in df[column_name]:
+        for value in csv_df[column_name]:
             for p in properties:
                 units = p.get('units', '')
                 if units: break

pyked/tests/testfile_jsr1.yaml

@@ -45,7 +45,7 @@ datapoints:
         - uncertainty-type: absolute
           uncertainty: 0.01 bar # made up for testing
       reactor-volume:
-        - 0.000095 m3
+        - 0.095 litres
       residence-time:
         - 2 s
       inlet-composition: