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add conditions to cluster section of load_one_graph #5

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Sep 30, 2020
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add conditions to cluster section of load_one_graph #5

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22 changes: 16 additions & 6 deletions graphprot/DataSet.py
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Original file line number Diff line number Diff line change
Expand Up @@ -265,12 +265,22 @@ def load_one_graph(self, fname, mol):
data.internal_edge_attr = internal_edge_attr

# cluster
if 'clustering' in grp:
if self.clustering_method in grp['clustering']:
data.cluster0 = torch.tensor(
grp['clustering/' + self.clustering_method + '/depth_0'][()], dtype=torch.long)
data.cluster1 = torch.tensor(
grp['clustering/' + self.clustering_method + '/depth_1'][()], dtype=torch.long)
if 'clustering' in grp.keys():
if self.clustering_method in grp['clustering'].keys() :
if ( 'depth_0' in grp['clustering/{}'.format(self.clustering_method)].keys() and
'depth_1' in grp['clustering/{}'.format(self.clustering_method)].keys()
):
data.cluster0 = torch.tensor(
grp['clustering/' + self.clustering_method + '/depth_0'][()], dtype=torch.long)
data.cluster1 = torch.tensor(
grp['clustering/' + self.clustering_method + '/depth_1'][()], dtype=torch.long)
else :
print ('WARNING: no cluster detected')
else :
print ('WARNING: no cluster detected')
else :
print ('WARNING: no cluster detected')


f5.close()
return data
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