materialite 0.1.2__tar.gz → 0.1.3__tar.gz

{materialite-0.1.2 → materialite-0.1.3}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: materialite
-Version: 0.1.2
+Version: 0.1.3
 Summary: Streamlined microstructure modeling - A unified Python framework for materials science and mechanics research
 Author: NASA Langley Research Center
 License: 

{materialite-0.1.2 → materialite-0.1.3}/materialite/importers.py

@@ -13,7 +13,7 @@
 import h5py
 import numpy as np
 import pandas as pd
-from materialite import Material
+from materialite import Material, Orientation
 from materialite.util import camel_to_snake
 
 
@@ -55,7 +55,9 @@ def import_dream3d(
         region_id_field = d3d.get(region_id_path)[:].reshape(-1)
         fields[region_id_label] = region_id_field
         if region_field_paths is not None:
-            regional_fields[region_id_label] = np.unique(region_id_field)
+            unique_region_ids = np.unique(region_id_field)
+            regional_fields[region_id_label] = unique_region_ids
+            start_idx = 0 if 0 in unique_region_ids else 1
 
     region_field_paths = [] if region_field_paths is None else region_field_paths
     for region_field_path in region_field_paths:
@@ -64,7 +66,7 @@ def import_dream3d(
         num_components = region_field.shape[1]
         for ii in range(num_components):
             suffix = "" if num_components == 1 else "_" + str(ii + 1)
-            regional_fields[region_label + suffix] = region_field[1:, ii]
+            regional_fields[region_label + suffix] = region_field[start_idx:, ii]
 
     material = Material(
         dimensions=dimensions, origin=origin, spacing=spacing, fields=fields
@@ -99,8 +101,8 @@ def import_spparks(
         sep=" ",
         header=None,
         skiprows=skiprows,
-        usecols=[1, 2, 3, 4],
-        names=["feature", "x", "y", "z"],
+        usecols=usecols,
+        names=names,
     )
     fields.sort_values(by=["z", "y", "x"], inplace=True)
 
@@ -152,6 +154,10 @@ def import_evpfft(
     file,
     spacing=[1, 1, 1],
     origin=[0, 0, 0],
+    grain_label="grain",
+    phase_label="phase",
+    orientation_label="orientation",
+    euler_angles_to_radians=True,
 ):
 
     fields = pd.read_csv(
@@ -165,15 +171,27 @@ def import_evpfft(
             "x_id",
             "y_id",
             "z_id",
-            "feature",
-            "phase",
+            grain_label,
+            phase_label,
         ],
     ).sort_values(by=["x_id", "y_id", "z_id"])
 
-    fields[["euler_angle_1", "euler_angle_2", "euler_angle_3"]] *= np.pi / 180
+    if euler_angles_to_radians:
+        orientations = Orientation.from_euler_angles(
+            fields[["euler_angle_1", "euler_angle_2", "euler_angle_3"]].to_numpy(),
+            in_degrees=True,
+        )
+    else:
+        orientations = Orientation.from_euler_angles(
+            fields[["euler_angle_1", "euler_angle_2", "euler_angle_3"]].to_numpy()
+        )
 
     dimensions = fields[["x_id", "y_id", "z_id"]].max().to_numpy()
 
+    fields = fields.assign(**{orientation_label: orientations}).drop(
+        labels=["euler_angle_1", "euler_angle_2", "euler_angle_3"], axis=1
+    )
+
     return Material(
         dimensions=dimensions,
         spacing=spacing,