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remove close for pdb2sql memory database
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CunliangGeng committed Mar 24, 2020
1 parent 4ff6c7c commit d74f2d5
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Showing 2 changed files with 1 addition and 5 deletions.
4 changes: 0 additions & 4 deletions iScore/energetic/internal_energy.py
Original file line number Diff line number Diff line change
Expand Up @@ -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
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2 changes: 1 addition & 1 deletion iScore/graphrank/kernel.py
Original file line number Diff line number Diff line change
Expand Up @@ -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))

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