From d74f2d5546eca0a172610be909e1f77931f6c224 Mon Sep 17 00:00:00 2001 From: Cunliang Geng Date: Tue, 24 Mar 2020 15:14:56 +0100 Subject: [PATCH] remove close for pdb2sql memory database --- iScore/energetic/internal_energy.py | 4 ---- iScore/graphrank/kernel.py | 2 +- 2 files changed, 1 insertion(+), 5 deletions(-) diff --git a/iScore/energetic/internal_energy.py b/iScore/energetic/internal_energy.py index b7eb1e0..165b3c0 100644 --- a/iScore/energetic/internal_energy.py +++ b/iScore/energetic/internal_energy.py @@ -91,10 +91,6 @@ def __init__(self,pdbfile, # entire residue containing at least 1 contact atom self.evaluate_charges(extend_contact_to_residue=True) - # close - self.sqldb.close() - - ##################################################################################### # # READ INPUT FILES diff --git a/iScore/graphrank/kernel.py b/iScore/graphrank/kernel.py index 64a5f53..c996d7f 100644 --- a/iScore/graphrank/kernel.py +++ b/iScore/graphrank/kernel.py @@ -441,7 +441,7 @@ def compute_px(self,g1,g2,cutoff=0.5): t0 = time() #n1,n2 = g1.num_nodes,g2.num_nodes self.px = [t[0]*t[1] if (float(t[0])>cutoff or float(t[1])>cutoff) else 0 for t in itertools.product(*[g1.nodes_info_data,g2.nodes_info_data])] - + if self.debug: print('CPU - Px : %f' %(time()-t0))