(values, reference)
| 41 | # distance is used and the values are scaled between 0 and 1 from least similar |
| 42 | # to identical with reference. |
| 43 | def metric(values, reference): |
| 44 | dist = np.linalg.norm(values - reference, axis=1) |
| 45 | dist_max = np.max(dist) |
| 46 | return 1 - (dist / dist_max) |
| 47 | |
| 48 | # Create the features and metrics for all atoms in the sample. |
| 49 | combined_features = descriptor.create(combined) |