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system: x86_64-linux | build_time: 5 seconds | https://github.com/NixOS/nixpkgs/pull/320834
Sourcing python-remove-tests-dir-hook
Sourcing python-catch-conflicts-hook.sh
Sourcing python-remove-bin-bytecode-hook.sh
Sourcing pypa-build-hook
Using pypaBuildPhase
Sourcing python-runtime-deps-check-hook
Using pythonRuntimeDepsCheckHook
Sourcing pypa-install-hook
Using pypaInstallPhase
Sourcing python-imports-check-hook.sh
Using pythonImportsCheckPhase
Sourcing python-namespaces-hook
Sourcing python-catch-conflicts-hook.sh
Sourcing pytest-check-hook
Using pytestCheckPhase
@nix { "action": "setPhase", "phase": "unpackPhase" }
Running phase: unpackPhase
unpacking source archive /nix/store/pi5ym131bbsmbj8ic1ilynxf64l0z8p2-source
source root is source
setting SOURCE_DATE_EPOCH to timestamp 315619200 of file source/util/validate-outputs.py
@nix { "action": "setPhase", "phase": "patchPhase" }
Running phase: patchPhase
@nix { "action": "setPhase", "phase": "updateAutotoolsGnuConfigScriptsPhase" }
Running phase: updateAutotoolsGnuConfigScriptsPhase
@nix { "action": "setPhase", "phase": "configurePhase" }
Running phase: configurePhase
no configure script, doing nothing
@nix { "action": "setPhase", "phase": "buildPhase" }
Running phase: buildPhase
Executing pypaBuildPhase
Creating a wheel...
* Getting build dependencies for wheel...
running egg_info
creating modelcif.egg-info
writing modelcif.egg-info/PKG-INFO
writing dependency_links to modelcif.egg-info/dependency_links.txt
writing requirements to modelcif.egg-info/requires.txt
writing top-level names to modelcif.egg-info/top_level.txt
writing manifest file 'modelcif.egg-info/SOURCES.txt'
reading manifest file 'modelcif.egg-info/SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'modelcif.egg-info/SOURCES.txt'
* Building wheel...
running bdist_wheel
running build
running build_py
creating build
creating build/lib
creating build/lib/modelcif
copying modelcif/__init__.py -> build/lib/modelcif
copying modelcif/alignment.py -> build/lib/modelcif
copying modelcif/associated.py -> build/lib/modelcif
copying modelcif/data.py -> build/lib/modelcif
copying modelcif/descriptor.py -> build/lib/modelcif
copying modelcif/dumper.py -> build/lib/modelcif
copying modelcif/model.py -> build/lib/modelcif
copying modelcif/protocol.py -> build/lib/modelcif
copying modelcif/qa_metric.py -> build/lib/modelcif
copying modelcif/reader.py -> build/lib/modelcif
copying modelcif/reference.py -> build/lib/modelcif
copying modelcif/test.py -> build/lib/modelcif
installing to build/bdist.linux-x86_64/wheel
running install
running install_lib
creating build/bdist.linux-x86_64
creating build/bdist.linux-x86_64/wheel
creating build/bdist.linux-x86_64/wheel/modelcif
copying build/lib/modelcif/__init__.py -> build/bdist.linux-x86_64/wheel/modelcif
copying build/lib/modelcif/alignment.py -> build/bdist.linux-x86_64/wheel/modelcif
copying build/lib/modelcif/associated.py -> build/bdist.linux-x86_64/wheel/modelcif
copying build/lib/modelcif/data.py -> build/bdist.linux-x86_64/wheel/modelcif
copying build/lib/modelcif/descriptor.py -> build/bdist.linux-x86_64/wheel/modelcif
copying build/lib/modelcif/dumper.py -> build/bdist.linux-x86_64/wheel/modelcif
copying build/lib/modelcif/model.py -> build/bdist.linux-x86_64/wheel/modelcif
copying build/lib/modelcif/protocol.py -> build/bdist.linux-x86_64/wheel/modelcif
copying build/lib/modelcif/qa_metric.py -> build/bdist.linux-x86_64/wheel/modelcif
copying build/lib/modelcif/reader.py -> build/bdist.linux-x86_64/wheel/modelcif
copying build/lib/modelcif/reference.py -> build/bdist.linux-x86_64/wheel/modelcif
copying build/lib/modelcif/test.py -> build/bdist.linux-x86_64/wheel/modelcif
running install_egg_info
running egg_info
writing modelcif.egg-info/PKG-INFO
writing dependency_links to modelcif.egg-info/dependency_links.txt
writing requirements to modelcif.egg-info/requires.txt
writing top-level names to modelcif.egg-info/top_level.txt
reading manifest file 'modelcif.egg-info/SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'modelcif.egg-info/SOURCES.txt'
Copying modelcif.egg-info to build/bdist.linux-x86_64/wheel/modelcif-0.9-py3.12.egg-info
running install_scripts
creating build/bdist.linux-x86_64/wheel/modelcif-0.9.dist-info/WHEEL
creating '/build/source/dist/.tmp-aimcfqod/modelcif-0.9-py3-none-any.whl' and adding 'build/bdist.linux-x86_64/wheel' to it
adding 'modelcif/__init__.py'
adding 'modelcif/alignment.py'
adding 'modelcif/associated.py'
adding 'modelcif/data.py'
adding 'modelcif/descriptor.py'
adding 'modelcif/dumper.py'
adding 'modelcif/model.py'
adding 'modelcif/protocol.py'
adding 'modelcif/qa_metric.py'
adding 'modelcif/reader.py'
adding 'modelcif/reference.py'
adding 'modelcif/test.py'
adding 'modelcif-0.9.dist-info/LICENSE'
adding 'modelcif-0.9.dist-info/METADATA'
adding 'modelcif-0.9.dist-info/WHEEL'
adding 'modelcif-0.9.dist-info/top_level.txt'
adding 'modelcif-0.9.dist-info/RECORD'
removing build/bdist.linux-x86_64/wheel
Successfully built modelcif-0.9-py3-none-any.whl
Finished creating a wheel...
Finished executing pypaBuildPhase
@nix { "action": "setPhase", "phase": "pythonRuntimeDepsCheckHook" }
Running phase: pythonRuntimeDepsCheckHook
Executing pythonRuntimeDepsCheck
Checking runtime dependencies for modelcif-0.9-py3-none-any.whl
Finished executing pythonRuntimeDepsCheck
@nix { "action": "setPhase", "phase": "installPhase" }
Running phase: installPhase
Executing pypaInstallPhase
Successfully installed modelcif-0.9-py3-none-any.whl
Finished executing pypaInstallPhase
@nix { "action": "setPhase", "phase": "pythonOutputDistPhase" }
Running phase: pythonOutputDistPhase
Executing pythonOutputDistPhase
Finished executing pythonOutputDistPhase
@nix { "action": "setPhase", "phase": "fixupPhase" }
Running phase: fixupPhase
shrinking RPATHs of ELF executables and libraries in /nix/store/04g4jl24c1bfrvgnac3s4j6zpxnaap7p-python3.12-modelcif-0.9
checking for references to /build/ in /nix/store/04g4jl24c1bfrvgnac3s4j6zpxnaap7p-python3.12-modelcif-0.9...
patching script interpreter paths in /nix/store/04g4jl24c1bfrvgnac3s4j6zpxnaap7p-python3.12-modelcif-0.9
stripping (with command strip and flags -S -p) in /nix/store/04g4jl24c1bfrvgnac3s4j6zpxnaap7p-python3.12-modelcif-0.9/lib
shrinking RPATHs of ELF executables and libraries in /nix/store/17vpzjaxv4rzq97z1rpvap6zyl8388l4-python3.12-modelcif-0.9-dist
checking for references to /build/ in /nix/store/17vpzjaxv4rzq97z1rpvap6zyl8388l4-python3.12-modelcif-0.9-dist...
patching script interpreter paths in /nix/store/17vpzjaxv4rzq97z1rpvap6zyl8388l4-python3.12-modelcif-0.9-dist
Executing pythonRemoveTestsDir
Finished executing pythonRemoveTestsDir
@nix { "action": "setPhase", "phase": "installCheckPhase" }
Running phase: installCheckPhase
no Makefile or custom installCheckPhase, doing nothing
@nix { "action": "setPhase", "phase": "pythonCatchConflictsPhase" }
Running phase: pythonCatchConflictsPhase
@nix { "action": "setPhase", "phase": "pythonRemoveBinBytecodePhase" }
Running phase: pythonRemoveBinBytecodePhase
@nix { "action": "setPhase", "phase": "pythonImportsCheckPhase" }
Running phase: pythonImportsCheckPhase
Executing pythonImportsCheckPhase
Check whether the following modules can be imported: modelcif
@nix { "action": "setPhase", "phase": "pytestCheckPhase" }
Running phase: pytestCheckPhase
Executing pytestCheckPhase
============================= test session starts ==============================
platform linux -- Python 3.12.3, pytest-8.1.1, pluggy-1.4.0
rootdir: /build/source
collecting ...
collected 89 items / 2 deselected / 87 selected
test/test_alignment.py . [ 1%]
test/test_descriptor.py . [ 2%]
test/test_dumper.py ............................ [ 34%]
test/test_edit.py FF [ 36%]
test/test_examples.py FFF [ 40%]
test/test_main.py .............. [ 56%]
test/test_make_mmcif.py .F [ 58%]
test/test_model.py . [ 59%]
test/test_qa_metric.py .... [ 64%]
test/test_reader.py .F.F......................... [ 97%]
test/test_reference.py .. [100%]
=================================== FAILURES ===================================
________________________ Tests.test_model_with_assembly ________________________
self = <test_edit.Tests testMethod=test_model_with_assembly>
def test_model_with_assembly(self):
"""Test read of Model with Assembly followed by write"""
sin = StringIO("""
loop_
_entity.id
_entity.type
_entity.pdbx_description
_entity.pdbx_number_of_molecules
_entity.formula_weight
_entity.details
1 polymer Nup84 2 100.0 .
#
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
1 1 ALA .
1 2 CYS .
#
loop_
_struct_asym.id
_struct_asym.entity_id
_struct_asym.details
A 1 'Model subunit A'
#
loop_
_ma_struct_assembly.ordinal_id
_ma_struct_assembly.assembly_id
_ma_struct_assembly.entity_id
_ma_struct_assembly.asym_id
_ma_struct_assembly.seq_id_begin
_ma_struct_assembly.seq_id_end
1 1 1 A 1 2
#
loop_
_ma_model_list.ordinal_id
_ma_model_list.model_id
_ma_model_list.model_group_id
_ma_model_list.model_name
_ma_model_list.model_group_name
_ma_model_list.assembly_id
_ma_model_list.data_id
_ma_model_list.model_type
_ma_model_list.model_type_other_details
1 1 1 'Best scoring model' 'All models' 1 4 'Homology model' .
#
loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_seq_id
_atom_site.auth_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.label_asym_id
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.label_entity_id
_atom_site.auth_asym_id
_atom_site.B_iso_or_equiv
_atom_site.pdbx_PDB_model_num
ATOM 1 C CA . ALA 1 1 ? A 1.000 2.000 3.000 . 1 A . 1
""")
> s, = modelcif.reader.read(sin)
test/test_edit.py:85:
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
modelcif/reader.py:929: in read
return ihm.reader.read(
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/reader.py:3918: in read
more_data = r.read_file()
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/format.py:1131: in read_file
return self._read_file_c()
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/format.py:1182: in _read_file_c
eof, more_data = _format.ihm_read_file(self._c_format)
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/reader.py:1278: in __call__
s.sequence[seq_id - 1] = self.sysr.chem_comps.get_by_id(mon_id)
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
self = <ihm.reader._ChemCompIDMapper object at 0x7ffff5f321b0>, objid = 'ALA'
newcls = None
def get_by_id(self, objid, newcls=None):
# Don't modify class of standard residue types
if objid in self._standard_by_id:
obj = self._standard_by_id[objid]
if objid not in self._obj_by_id:
self._obj_by_id[objid] = obj
> self.system_list.append(obj)
E AttributeError: 'NoneType' object has no attribute 'append'
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/reader.py:148: AttributeError
______________________ Tests.test_model_without_assembly _______________________
self = <test_edit.Tests testMethod=test_model_without_assembly>
def test_model_without_assembly(self):
"""Test read of Model without Assembly followed by write"""
sin = StringIO("""
loop_
_entity.id
_entity.type
_entity.pdbx_description
_entity.pdbx_number_of_molecules
_entity.formula_weight
_entity.details
1 polymer Nup84 2 100.0 .
#
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
1 1 ALA .
1 2 CYS .
#
loop_
_struct_asym.id
_struct_asym.entity_id
_struct_asym.details
A 1 'Model subunit A'
#
loop_
_ma_model_list.ordinal_id
_ma_model_list.model_id
_ma_model_list.model_group_id
_ma_model_list.model_name
_ma_model_list.model_group_name
_ma_model_list.assembly_id
_ma_model_list.data_id
_ma_model_list.model_type
_ma_model_list.model_type_other_details
1 1 1 'Best scoring model' 'All models' . 4 'Homology model' .
#
loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_seq_id
_atom_site.auth_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.label_asym_id
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.label_entity_id
_atom_site.auth_asym_id
_atom_site.B_iso_or_equiv
_atom_site.pdbx_PDB_model_num
ATOM 1 C CA . ALA 1 1 ? A 1.000 2.000 3.000 . 1 A . 1
""")
> s, = modelcif.reader.read(sin)
test/test_edit.py:148:
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
modelcif/reader.py:929: in read
return ihm.reader.read(
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/reader.py:3918: in read
more_data = r.read_file()
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/format.py:1131: in read_file
return self._read_file_c()
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/format.py:1182: in _read_file_c
eof, more_data = _format.ihm_read_file(self._c_format)
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/reader.py:1278: in __call__
s.sequence[seq_id - 1] = self.sysr.chem_comps.get_by_id(mon_id)
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
self = <ihm.reader._ChemCompIDMapper object at 0x7ffff5e39160>, objid = 'ALA'
newcls = None
def get_by_id(self, objid, newcls=None):
# Don't modify class of standard residue types
if objid in self._standard_by_id:
obj = self._standard_by_id[objid]
if objid not in self._obj_by_id:
self._obj_by_id[objid] = obj
> self.system_list.append(obj)
E AttributeError: 'NoneType' object has no attribute 'append'
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/reader.py:148: AttributeError
_______________________ Tests.test_convert_bcif_example ________________________
self = <test_examples.Tests testMethod=test_convert_bcif_example>
@unittest.skipIf(msgpack is None, "BinaryCIF needs msgpack")
def test_convert_bcif_example(self):
"""Test convert_bcif example"""
with utils.temporary_directory() as tmpdir:
from_input = get_example_path("input")
to_input = os.path.join(tmpdir, 'input')
os.mkdir(to_input)
shutil.copy(os.path.join(from_input, "ligands.cif"), to_input)
> subprocess.check_call([sys.executable,
get_example_path("convert_bcif.py")],
cwd=tmpdir)
test/test_examples.py:89:
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
popenargs = (['/nix/store/zwvdwiw0zg5liz6lkkkqyab035parhld-python3-3.12.3/bin/python3.12', '/build/source/examples/convert_bcif.py'],)
kwargs = {'cwd': '/build/tmpxv4uhpf2'}, retcode = 1
cmd = ['/nix/store/zwvdwiw0zg5liz6lkkkqyab035parhld-python3-3.12.3/bin/python3.12', '/build/source/examples/convert_bcif.py']
def check_call(*popenargs, **kwargs):
"""Run command with arguments. Wait for command to complete. If
the exit code was zero then return, otherwise raise
CalledProcessError. The CalledProcessError object will have the
return code in the returncode attribute.
The arguments are the same as for the call function. Example:
check_call(["ls", "-l"])
"""
retcode = call(*popenargs, **kwargs)
if retcode:
cmd = kwargs.get("args")
if cmd is None:
cmd = popenargs[0]
> raise CalledProcessError(retcode, cmd)
E subprocess.CalledProcessError: Command '['/nix/store/zwvdwiw0zg5liz6lkkkqyab035parhld-python3-3.12.3/bin/python3.12', '/build/source/examples/convert_bcif.py']' returned non-zero exit status 1.
/nix/store/zwvdwiw0zg5liz6lkkkqyab035parhld-python3-3.12.3/lib/python3.12/subprocess.py:413: CalledProcessError
----------------------------- Captured stderr call -----------------------------
Traceback (most recent call last):
File "/build/source/examples/convert_bcif.py", line 11, in <module>
systems = modelcif.reader.read(fh, format='mmCIF')
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/build/source/modelcif/reader.py", line 929, in read
return ihm.reader.read(
^^^^^^^^^^^^^^^^
File "/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/reader.py", line 3918, in read
more_data = r.read_file()
^^^^^^^^^^^^^
File "/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/format.py", line 1131, in read_file
return self._read_file_c()
^^^^^^^^^^^^^^^^^^^
File "/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/format.py", line 1182, in _read_file_c
eof, more_data = _format.ihm_read_file(self._c_format)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/build/source/modelcif/reader.py", line 170, in __call__
s = self.sysr.chem_comps.get_by_id(
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/reader.py", line 148, in get_by_id
self.system_list.append(obj)
^^^^^^^^^^^^^^^^^^^^^^^
AttributeError: 'NoneType' object has no attribute 'append'
__________________________ Tests.test_ligands_example __________________________
self = <test_examples.Tests testMethod=test_ligands_example>
def test_ligands_example(self):
"""Test ligands example"""
with utils.temporary_directory() as tmpdir:
subprocess.check_call([sys.executable,
get_example_path("ligands.py")],
cwd=tmpdir)
# Make sure that a complete output file was produced and that we
# can read it
with open(os.path.join(tmpdir, 'output.cif')) as fh:
contents = fh.readlines()
self.assertEqual(len(contents), 324)
with open(os.path.join(tmpdir, 'output.cif')) as fh:
> s, = modelcif.reader.read(fh)
test/test_examples.py:79:
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
modelcif/reader.py:929: in read
return ihm.reader.read(
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/reader.py:3918: in read
more_data = r.read_file()
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/format.py:1131: in read_file
return self._read_file_c()
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/format.py:1182: in _read_file_c
eof, more_data = _format.ihm_read_file(self._c_format)
modelcif/reader.py:170: in __call__
s = self.sysr.chem_comps.get_by_id(
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
self = <ihm.reader._ChemCompIDMapper object at 0x7ffff5e42a80>, objid = 'ALA'
newcls = <class 'ihm.LPeptideChemComp'>
def get_by_id(self, objid, newcls=None):
# Don't modify class of standard residue types
if objid in self._standard_by_id:
obj = self._standard_by_id[objid]
if objid not in self._obj_by_id:
self._obj_by_id[objid] = obj
> self.system_list.append(obj)
E AttributeError: 'NoneType' object has no attribute 'append'
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/reader.py:148: AttributeError
_________________________ Tests.test_mkmodbase_example _________________________
self = <test_examples.Tests testMethod=test_mkmodbase_example>
def test_mkmodbase_example(self):
"""Test mkmodbase example"""
with utils.temporary_directory() as tmpdir:
> subprocess.check_call([sys.executable,
get_example_path("mkmodbase.py")],
cwd=tmpdir)
test/test_examples.py:54:
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
popenargs = (['/nix/store/zwvdwiw0zg5liz6lkkkqyab035parhld-python3-3.12.3/bin/python3.12', '/build/source/examples/mkmodbase.py'],)
kwargs = {'cwd': '/build/tmpizrp91fj'}, retcode = 1
cmd = ['/nix/store/zwvdwiw0zg5liz6lkkkqyab035parhld-python3-3.12.3/bin/python3.12', '/build/source/examples/mkmodbase.py']
def check_call(*popenargs, **kwargs):
"""Run command with arguments. Wait for command to complete. If
the exit code was zero then return, otherwise raise
CalledProcessError. The CalledProcessError object will have the
return code in the returncode attribute.
The arguments are the same as for the call function. Example:
check_call(["ls", "-l"])
"""
retcode = call(*popenargs, **kwargs)
if retcode:
cmd = kwargs.get("args")
if cmd is None:
cmd = popenargs[0]
> raise CalledProcessError(retcode, cmd)
E subprocess.CalledProcessError: Command '['/nix/store/zwvdwiw0zg5liz6lkkkqyab035parhld-python3-3.12.3/bin/python3.12', '/build/source/examples/mkmodbase.py']' returned non-zero exit status 1.
/nix/store/zwvdwiw0zg5liz6lkkkqyab035parhld-python3-3.12.3/lib/python3.12/subprocess.py:413: CalledProcessError
----------------------------- Captured stderr call -----------------------------
Traceback (most recent call last):
File "/build/source/examples/mkmodbase.py", line 211, in <module>
s, = modelcif.reader.read(fh)
^^^^^^^^^^^^^^^^^^^^^^^^
File "/build/source/modelcif/reader.py", line 929, in read
return ihm.reader.read(
^^^^^^^^^^^^^^^^
File "/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/reader.py", line 3918, in read
more_data = r.read_file()
^^^^^^^^^^^^^
File "/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/format.py", line 1131, in read_file
return self._read_file_c()
^^^^^^^^^^^^^^^^^^^
File "/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/format.py", line 1182, in _read_file_c
eof, more_data = _format.ihm_read_file(self._c_format)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/build/source/modelcif/reader.py", line 170, in __call__
s = self.sysr.chem_comps.get_by_id(
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/reader.py", line 148, in get_by_id
self.system_list.append(obj)
^^^^^^^^^^^^^^^^^^^^^^^
AttributeError: 'NoneType' object has no attribute 'append'
_______________________________ Tests.test_mini ________________________________
self = <test_make_mmcif.Tests testMethod=test_mini>
@unittest.skipIf(sys.version_info[0] < 3, "make-mmcif.py needs Python 3")
def test_mini(self):
"""Check that make-mmcif works given only basic atom info"""
incif = utils.get_input_file_name(TOPDIR, 'mini.cif')
> subprocess.check_call([sys.executable, MAKE_MMCIF, incif])
test/test_make_mmcif.py:26:
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
popenargs = (['/nix/store/zwvdwiw0zg5liz6lkkkqyab035parhld-python3-3.12.3/bin/python3.12', '/build/source/util/make-mmcif.py', '/build/source/test/input/mini.cif'],)
kwargs = {}, retcode = 1
cmd = ['/nix/store/zwvdwiw0zg5liz6lkkkqyab035parhld-python3-3.12.3/bin/python3.12', '/build/source/util/make-mmcif.py', '/build/source/test/input/mini.cif']
def check_call(*popenargs, **kwargs):
"""Run command with arguments. Wait for command to complete. If
the exit code was zero then return, otherwise raise
CalledProcessError. The CalledProcessError object will have the
return code in the returncode attribute.
The arguments are the same as for the call function. Example:
check_call(["ls", "-l"])
"""
retcode = call(*popenargs, **kwargs)
if retcode:
cmd = kwargs.get("args")
if cmd is None:
cmd = popenargs[0]
> raise CalledProcessError(retcode, cmd)
E subprocess.CalledProcessError: Command '['/nix/store/zwvdwiw0zg5liz6lkkkqyab035parhld-python3-3.12.3/bin/python3.12', '/build/source/util/make-mmcif.py', '/build/source/test/input/mini.cif']' returned non-zero exit status 1.
/nix/store/zwvdwiw0zg5liz6lkkkqyab035parhld-python3-3.12.3/lib/python3.12/subprocess.py:413: CalledProcessError
----------------------------- Captured stderr call -----------------------------
Traceback (most recent call last):
File "/build/source/util/make-mmcif.py", line 58, in <module>
fhout, [add_modelcif_info(s) for s in modelcif.reader.read(fh)])
^^^^^^^^^^^^^^^^^^^^^^^^
File "/build/source/modelcif/reader.py", line 929, in read
return ihm.reader.read(
^^^^^^^^^^^^^^^^
File "/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/reader.py", line 3918, in read
more_data = r.read_file()
^^^^^^^^^^^^^
File "/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/format.py", line 1131, in read_file
return self._read_file_c()
^^^^^^^^^^^^^^^^^^^
File "/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/format.py", line 1182, in _read_file_c
eof, more_data = _format.ihm_read_file(self._c_format)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/reader.py", line 1278, in __call__
s.sequence[seq_id - 1] = self.sysr.chem_comps.get_by_id(mon_id)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/reader.py", line 148, in get_by_id
self.system_list.append(obj)
^^^^^^^^^^^^^^^^^^^^^^^
AttributeError: 'NoneType' object has no attribute 'append'
_________________________ Tests.test_assembly_handler __________________________
self = <test_reader.Tests testMethod=test_assembly_handler>
def test_assembly_handler(self):
"""Test _AssemblyHandler and _AssemblyDetailsHandler"""
cif = """
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
1 1 ALA
1 2 ALA
#
loop_
_struct_asym.id
_struct_asym.entity_id
_struct_asym.details
A 1 Nup84
#
loop_
_ma_struct_assembly.ordinal_id
_ma_struct_assembly.assembly_id
_ma_struct_assembly.entity_id
_ma_struct_assembly.asym_id
_ma_struct_assembly.seq_id_begin
_ma_struct_assembly.seq_id_end
1 1 1 A 1 2
2 1 1 A 1 1
3 1 1 A . .
#
loop_
_ma_struct_assembly_details.assembly_id
_ma_struct_assembly_details.assembly_name
_ma_struct_assembly_details.assembly_description
1 foo bar
"""
> s, = modelcif.reader.read(StringIO(cif))
test/test_reader.py:496:
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
modelcif/reader.py:929: in read
return ihm.reader.read(
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/reader.py:3918: in read
more_data = r.read_file()
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/format.py:1131: in read_file
return self._read_file_c()
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/format.py:1182: in _read_file_c
eof, more_data = _format.ihm_read_file(self._c_format)
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/reader.py:1278: in __call__
s.sequence[seq_id - 1] = self.sysr.chem_comps.get_by_id(mon_id)
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
self = <ihm.reader._ChemCompIDMapper object at 0x7ffff5e41d00>, objid = 'ALA'
newcls = None
def get_by_id(self, objid, newcls=None):
# Don't modify class of standard residue types
if objid in self._standard_by_id:
obj = self._standard_by_id[objid]
if objid not in self._obj_by_id:
self._obj_by_id[objid] = obj
> self.system_list.append(obj)
E AttributeError: 'NoneType' object has no attribute 'append'
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/reader.py:148: AttributeError
_________________________ Tests.test_chem_comp_handler _________________________
self = <test_reader.Tests testMethod=test_chem_comp_handler>
def test_chem_comp_handler(self):
"""Test ChemCompHandler and ChemCompDescriptorHandler"""
cif = """
loop_
_chem_comp.id
_chem_comp.type
_chem_comp.name
_chem_comp.formula
_chem_comp.ma_provenance
MET 'L-peptide linking' . . .
CYS 'D-peptide linking' CYSTEINE . ?
ALA 'L-peptide linking' ALANINE . 'CCD Core'
MATYPE 'L-PEPTIDE LINKING' 'MODELARCHIVE COMPONENT' . 'CCD MA'
MYTYPE 'L-PEPTIDE LINKING' 'MY CUSTOM COMPONENT' . 'CCD local'
#
loop_
_ma_chem_comp_descriptor.ordinal_id
_ma_chem_comp_descriptor.chem_comp_id
_ma_chem_comp_descriptor.chem_comp_name
_ma_chem_comp_descriptor.type
_ma_chem_comp_descriptor.value
_ma_chem_comp_descriptor.details
_ma_chem_comp_descriptor.software_id
1 MYTYPE 'ignored' 'InChI Key' XDAOLTSRNUSPPH-XMMPIXPASA-N foo 1
2 MYTYPE ? 'IUPAC Name' foobar . .
#
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
1 1 MET .
1 2 CYS .
1 3 ALA .
1 4 MATYPE .
1 5 MYTYPE .
"""
> s, = modelcif.reader.read(StringIO(cif))
test/test_reader.py:1141:
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
modelcif/reader.py:929: in read
return ihm.reader.read(
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/reader.py:3918: in read
more_data = r.read_file()
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/format.py:1131: in read_file
return self._read_file_c()
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/format.py:1182: in _read_file_c
eof, more_data = _format.ihm_read_file(self._c_format)
modelcif/reader.py:170: in __call__
s = self.sysr.chem_comps.get_by_id(
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
self = <ihm.reader._ChemCompIDMapper object at 0x7ffff59366c0>, objid = 'MET'
newcls = <class 'ihm.LPeptideChemComp'>
def get_by_id(self, objid, newcls=None):
# Don't modify class of standard residue types
if objid in self._standard_by_id:
obj = self._standard_by_id[objid]
if objid not in self._obj_by_id:
self._obj_by_id[objid] = obj
> self.system_list.append(obj)
E AttributeError: 'NoneType' object has no attribute 'append'
/nix/store/102i0r7340abrqdzxhw7blnld6x4zscd-python3.12-ihm-1.2/lib/python3.12/site-packages/ihm/reader.py:148: AttributeError
=========================== short test summary info ============================
FAILED test/test_edit.py::Tests::test_model_with_assembly - AttributeError: 'NoneType' object has no attribute 'append'
FAILED test/test_edit.py::Tests::test_model_without_assembly - AttributeError: 'NoneType' object has no attribute 'append'
FAILED test/test_examples.py::Tests::test_convert_bcif_example - subprocess.CalledProcessError: Command '['/nix/store/zwvdwiw0zg5liz6lkkkqya...
FAILED test/test_examples.py::Tests::test_ligands_example - AttributeError: 'NoneType' object has no attribute 'append'
FAILED test/test_examples.py::Tests::test_mkmodbase_example - subprocess.CalledProcessError: Command '['/nix/store/zwvdwiw0zg5liz6lkkkqya...
FAILED test/test_make_mmcif.py::Tests::test_mini - subprocess.CalledProcessError: Command '['/nix/store/zwvdwiw0zg5liz6lkkkqya...
FAILED test/test_reader.py::Tests::test_assembly_handler - AttributeError: 'NoneType' object has no attribute 'append'
FAILED test/test_reader.py::Tests::test_chem_comp_handler - AttributeError: 'NoneType' object has no attribute 'append'
================== 8 failed, 79 passed, 2 deselected in 1.07s ==================
/nix/store/d3dzfy4amjl826fb8j00qp1d9887h7hm-stdenv-linux/setup: line 1579: pop_var_context: head of shell_variables not a function context
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