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June 19, 2024 12:16
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system: x86_64-linux | build_time: 5 seconds | https://github.com/NixOS/nixpkgs/pull/320834
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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 | |
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@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 | |
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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' | |
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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 | |
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@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" } | |
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@nix { "action": "setPhase", "phase": "pythonRemoveBinBytecodePhase" } | |
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@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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