better CC reporting

jamesmkrieger · Oct 20, 2023 · 7dc8346 · 7dc8346
1 parent 4f17c82
commit 7dc8346
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/prody/dynamics/clustenm.py b/prody/dynamics/clustenm.py
@@ -663,7 +663,7 @@ def _generate(self, confs, **kwargs):
             confs_centers, wei = self._filter(confs_centers, wei)
             LOGGER.report('Filtered centroids were generated in %.2fs.',
                           label='_clustenm_gen')
-            LOGGER.info('Best CC is %f' % self._cc_prev)
+            LOGGER.info('Best CC is %f from %d' % (self._cc_prev, len(wei)))
 
         return confs_centers, wei
 
@@ -1122,6 +1122,7 @@ def run(self, cutoff=15., n_modes=3, gamma=1., n_confs=50, rmsd=1.0,
                                           self._fitmap)
             self._scorer = ScoringFunctions()
             self._cc_prev = self._scorer.CCC(self._fitmap, sim_map_start)
+            LOGGER.info('Starting CC is %f' % self._cc_prev)
 
         LOGGER.timeit('_clustenm_overall')