Add support for non numeric config data in Dataset

hercules/dataset.py

@@ -10,6 +10,7 @@
 from scipy.interpolate import interp1d
 import dill as pickle
 from pathlib import Path
+import numbers
 
 from .constants import PY_DATA_NAME
 
@@ -28,11 +29,12 @@ class Dataset:
 
     _class_version = '2.0'
 
-    def __init__(self, directory, config_list):
+    def __init__(self, directory, config_list, interpolate=True):
 
         self._directory = Path(directory)
         self._directory.mkdir(parents=True, exist_ok=True)
         self._version = self._class_version
+        self._interpolate_axes = interpolate
         self._make_index(config_list)
 
     def _make_index(self, config_list):
@@ -51,7 +53,7 @@ def _make_index(self, config_list):
         self._config_data_keys = list(config_list.get_config_data_keys()) # maps a list index to a key
         config_list_internal = config_list.get_internal_list()
 
-        self._axes = [np.empty(len(config_list_internal)) for k in self._config_data_keys]
+        self._initialize_axes(config_list_internal)
 
         for i, sim_config in enumerate(config_list_internal):
             path = sim_config.sim_name
@@ -66,7 +68,22 @@ def _make_index(self, config_list):
         for i in range(len(self._axes)):
             self._axes[i] = np.sort(np.unique(self._axes[i]))
 
-        self._interpolate_all()
+        if self._interpolate_axes:
+            self._interpolate_all()
+
+    def _initialize_axes(self, config_list_internal):
+        self._axes = []
+        config_data0 = config_list_internal[0].get_config_data()
+        for k in self._config_data_keys:
+            var0 = config_data0[k]
+
+            if isinstance(var0, numbers.Number):
+                self._axes.append(np.empty(len(config_list_internal), dtype=type(var0)))
+            else:
+                self._axes.append([i for i in range(len(config_list_internal))])
+                if self._interpolate:
+                    print('Warning! Interpolation of axes not possible for non-numeric types! Deactivating interpolation')
+                    self._interpolate_axes = False
 
     def _interpolate_all(self):
 
@@ -103,6 +120,8 @@ def get_path(self, params, method='interpolated'):
             raise ValueError(f'params has len {len(params)} but dataset expects len {len(self._axes)}!')
 
         if method == 'interpolated':
+            if not self._interpolate:
+                raise ValueError('Dataset is not interpolated!') 
             key = [self._axes_int[i](params[i]).item() for i in range(len(params))]
         elif method == 'index':
             key = [self._axes[i][params[i]] for i in range(len(params))]