From 07bfd4c60460ee42dd25a363da8787277807ec3a Mon Sep 17 00:00:00 2001 From: Eren Date: Mon, 13 Jan 2025 14:45:21 +0100 Subject: [PATCH] add hmm mean check to symmetric membranes --- domhmm/analysis/domhmm.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/domhmm/analysis/domhmm.py b/domhmm/analysis/domhmm.py index d1c1e2b..3b8933b 100644 --- a/domhmm/analysis/domhmm.py +++ b/domhmm/analysis/domhmm.py @@ -997,6 +997,7 @@ def predict_states(self): # Lengths consists of number of frames and number of residues lengths = np.repeat(shape[1], shape[0]) prediction = hmm.predict(data[1].reshape(-1, shape[2]), lengths=lengths).reshape(shape[0], shape[1]) + prediction = self.hmm_diff_checker(hmm.means_, prediction) # Save prediction result of each residue self.results['HMM_Pred'][resname] = prediction @@ -1334,7 +1335,6 @@ def clustering_plot(self): colors = plt.cm.viridis_r(np.linspace(0, 1.0, len(clusters.values()))) # Goto correct frame of the trajectory - # TODO Statement seems to have no effect self.universe.trajectory[self.start:self.stop:self.step][i] # Prepare positions for cluster plotting