Révision 695dcff8 modules/clustering.py
| b/modules/clustering.py | ||
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| 205 | 205 |
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if data.shape[0] == data.shape[1] \ |
| 207 | 207 |
and (np.tril(data).T == np.triu(data)).all(): |
| 208 |
logger.info("Clustering using affinity matrix")
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logger.info("Clustering using affinity matrix.")
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| 209 | 209 |
labels = get_labels_affty(data) |
| 210 | 210 |
if max(labels) == -1: |
| 211 | 211 |
logger.warning('Clustering of conformers did not converge. Try '
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"setting a smaller 'min_samples' parameter") |
|
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"setting a smaller 'min_samples' parameter.")
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| 213 | 213 |
exemplars = list(range(data.shape[0])) |
| 214 | 214 |
else: |
| 215 | 215 |
clusters = get_clusters(labels) |
Formats disponibles : Unified diff