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Error when using sim.tags/sim.categories #75

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kaceyaurum opened this issue Mar 29, 2018 · 3 comments
Open

Error when using sim.tags/sim.categories #75

kaceyaurum opened this issue Mar 29, 2018 · 3 comments

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@kaceyaurum
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I have this sim.

 1LQK/
 +-- nearest_neighbors/
 |   +-- K/
 |       +-- 2174.csv
 |       +-- 2186.csv
 +-- Sim.4b99d4bc-543a-4df5-bd5b-acf227d1c123.json
 +-- ligands/
 |   +-- MN.mol2
 |   +-- PO4.mol2
 |   +-- all_ligands.mol2
 |   +-- all_ligands.pdb
 |   +-- PO4.pdb
 |   +-- MN.pdb
 +-- 1LQK.pdb
 +-- coordination/
 |   +-- K/
 |       +-- 2186/
 |       |   +-- pdData.h5
 |       +-- 2174/
 |           +-- pdData.h5
 +-- 1LQK.pqr
 +-- 1LQK-complete.pdb

When I try to use sim.tags on specifically this sim, I get the following error:

---------------------------------------------------------------------------
AttributeError                            Traceback (most recent call last)
<ipython-input-48-2dff015043be> in <module>()
----> 1 zn = b[b.tags['ZN']]

/nfs/homes3/kreidy/.virtualenvs/pdbsurvey/local/lib/python2.7/site-packages/datreant/core/agglimbs.pyc in __getitem__(self, value)
   100
   101     def __getitem__(self, value):
--> 102         return [member.tags[value] for member in self._collection]
   103
   104     def __eq__(self, other):

/nfs/homes3/kreidy/.virtualenvs/pdbsurvey/local/lib/python2.7/site-packages/datreant/core/trees.pyc in getter(self)
   240         def getter(self):
   241             if not hasattr(self, "_"+limb._name):
--> 242                 setattr(self, "_"+limb._name, limb(self))
   243             return getattr(self, "_"+limb._name)
   244

/nfs/homes3/kreidy/.virtualenvs/pdbsurvey/local/lib/python2.7/site-packages/datreant/core/limbs.pyc in __init__(self, treant)
    76         # and raise exception if they are not
    77         try:
---> 78             with self._treant._write:
    79                 try:
    80                     self._treant._state['tags']

/usr/lib/python2.7/contextlib.pyc in __enter__(self)
    15     def __enter__(self):
    16         try:
---> 17             return self.gen.next()
    18         except StopIteration:
    19             raise RuntimeError("generator didn't yield")

/nfs/homes3/kreidy/.virtualenvs/pdbsurvey/local/lib/python2.7/site-packages/datreant/core/backends/core.pyc in write(self)
   292         # if we already have an exclusive lock, proceed
   293         if self.fdlock == 'exclusive':
--> 294             yield self._state
   295         else:
   296             self._apply_exclusive_lock()

AttributeError: 'SimFile' object has no attribute '_state'

sim.categories returns the same error as well.

Has anyone had any similar issues?

@kain88-de
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what version of datreant are you using? This looks strange

@kaceyaurum
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0.6.1

@kain88-de
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kain88-de commented Mar 30, 2018

You can try to update to the current version 0.7.1. But I don’t know where the error could come from maybe @dotsdl can help

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