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changes for ludwig to check
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@duboyal
duboyal committed Mar 25, 2024
1 parent 925acb8 commit 6a6e48b
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Showing 4 changed files with 30 additions and 151 deletions.
10 changes: 6 additions & 4 deletions src/cript/api/api.py
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Original file line number Diff line number Diff line change
Expand Up @@ -1220,8 +1220,8 @@ def save_node(self, new_node: PrimaryBaseNode, link_existing=True):
# print(type(json.loads(data)))
data0 = API.remove_keys_from_dict(json.loads(data))
data = json.dumps(data0)
# print(data)
# print(type(data))
print(data)
print(type(data))
# quit()

response = self._capsule_request(url_path="/project/", method="POST", data=data) # json.dumps(data))
Expand All @@ -1231,8 +1231,8 @@ def save_node(self, new_node: PrimaryBaseNode, link_existing=True):
# data = API.remove_keys_from_dict(json.loads(data))
# print(data)
# raise ValueError(f"malformed json data - check string into dumps{response.json()}")
print("malformed json data - check string into dumps", response.json())
# quit()
print("\nmalformed json data - check string into dumps", response.json())
quit()
elif response.json()["code"] in [409]:
print("already exists", response.json())
elif response.json()["code"] in [401]:
Expand Down Expand Up @@ -1278,6 +1278,8 @@ def save_node(self, new_node: PrimaryBaseNode, link_existing=True):

self.send_patches_to_api(list_of_patches_and_removes=list_of_patches_and_removes, link_existing=link_existing)

return get_url

###########################################################################################
###########################################################################################

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31 changes: 16 additions & 15 deletions src/cript/nodes/primary_nodes/material.py
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Original file line number Diff line number Diff line change
Expand Up @@ -204,21 +204,22 @@ def __init__(
def validate(self, api=None, is_patch: bool = False, force_validation: bool = False) -> None:
super().validate(api=api, is_patch=is_patch, force_validation=force_validation)

if (
self.amino_acid is None
and self.bigsmiles is None
and self.chem_formula is None
and len(self.chem_repeat) == 0
and self.chemical_id is None
and self.inchi_key is None
and self.inchi is None
and self.lot_number is None
and len(self.names) == 0
and self.pubchem_cid is None
and self.smiles is None
and self.vendor is None
):
raise CRIPTMaterialIdentifierError(self)
#### Temporarily Disabled
# if (
# self.amino_acid is None
# and self.bigsmiles is None
# and self.chem_formula is None
# and len(self.chem_repeat) == 0
# and self.chemical_id is None
# and self.inchi_key is None
# and self.inchi is None
# and self.lot_number is None
# and len(self.names) == 0
# and self.pubchem_cid is None
# and self.smiles is None
# and self.vendor is None
# ):
# raise CRIPTMaterialIdentifierError(self)

@property
@beartype
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3 changes: 2 additions & 1 deletion tests/nodes/primary_nodes/test_material.py
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Original file line number Diff line number Diff line change
Expand Up @@ -229,6 +229,7 @@ def test_integration_material(cript_api, simple_project_node, simple_material_no
def test_material_property_node_add(cript_api) -> None:
"""
pytest nodes/primary_nodes/test_material.py::test_material_property_node_add
"""

epoch_time = int(time.time())
Expand Down Expand Up @@ -266,7 +267,7 @@ def test_material_property_node_add(cript_api) -> None:

uuid = None
for item in cr_res_list:
if item["node"] == ["I"]:
if item["node"] == ["Material"]:
uuid = item["uuid"]
if item["node"] == ["Project"]:
proj_uuid = item["uuid"]
Expand Down
137 changes: 6 additions & 131 deletions tests/nodes/primary_nodes/test_project.py
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Original file line number Diff line number Diff line change
Expand Up @@ -331,160 +331,35 @@ def test_update_project_change_or_reset_material_to_existing_materials(cript_api


@pytest.mark.skip(reason="api")
def test_update_project_change_or_reset_material_to_existing_materials2(cript_api, simple_material_node, simple_project_node, complex_project_node, complex_material_node) -> None:
def test_sending_fixtures(cript_api, simple_material_node, simple_project_node, complex_project_node, complex_material_node) -> None:
"""
pytest nodes/primary_nodes/test_project.py::test_update_project_change_or_reset_material_to_existing_materials2
"""

# pj_node = complex_project_node
# field_list = []
# for field in dataclasses.fields(pj_node._json_attrs):
# field_list.append(field.name)
# # print(type(field))
# # node_dict[field] = json.loads(getattr(pj_node._json_args, field))
# # node_dict[field] = json.loads(getattr(pj_node._json_attrs, field))

# print(field_list)
# quit()

epoch_time = int(time.time())
name_1 = f"my_proj_thisali_{epoch_time}"
col_name = f"031o0col__{epoch_time}"
# collection_name = f"031o0col__{epoch_time}"

pj_node = copy.deepcopy(complex_project_node)
pj_node.material = [complex_material_node, simple_material_node]

# pj_node.material = [material1, material2]
# just an equal sign because we want to reset it !
pj_node.material = [simple_material_node] # [complex_material_node, simple_material_node]

pj_node.name = name_1
############################################################################

# pj_node2 = copy.deepcopy(simple_project_node) # , uuid=project1.uuid)
# project2.uuid = project1.uuid

print("---//----")
print("pj_node")
print(pj_node)
# quit()

# pj_node = simple_project_node
# pj_node2 = simple_project_node

# mat_node = simple_material_node

cript_api.save_node(pj_node) # to create it, if there is no diff, just return

# process = copy.deepcopy(simple_process_node)
material1 = complex_material_node
material2 = simple_material_node

pj_node.material = [material1, material2]
# now we want to add, but could also reset with just an equal sign
pj_node.material += [material1, material2]

cript_api.save_node(pj_node) # bear type, must be list

quit()
############################################################################

# url_path = "/project/"

# # material_001 = cript.Material(name=mat_1, identifier=[])
# create_payload = {
# "node": ["Project"],
# "name": name_1,
# # "material": [{"node": ["Material"], "name": f"unique_mat_{epoch_time}", "property": [{"node": ["Property"], "key": "air_flow", "method": "prescribed", "type": "value"}]}],
# # "material": [{"uuid": "1809330c-31d2-4a80-af72-77b84070ee1d"}, {"uuid": "ea8f957c-b6e5-4668-b306-e0d6b0d05d9a"}],
# }
# # {"uuid": "1809330c-31d2-4a80-af72-77b84070ee1d"}]} # , {"uuid": "ea8f957c-b6e5-4668-b306-e0d6b0d05d9a"}]}

# try:
# create_response = cript_api._capsule_request(url_path=url_path, method="POST", data=json.dumps(create_payload))
# print(create_response)
# print(create_response.json())

# except Exception as e:
# print(e)
# raise ValueError(e)

# cr_res_list = create_response.json()["data"]["result"]

# if create_response.json()["code"] in [409, 400, 401]:
# # print("---create_response")
# # print(create_response)
# raise ValueError(create_response)

# elif create_response.json()["code"] in [201, 200]:
# uuid = None
# for item in cr_res_list:
# if item["node"] == ["Project"]:
# uuid = item["uuid"]
# if uuid is None:
# raise ValueError("no project node")

# get_url = f"/project/{uuid}"

# result = cript_api._capsule_request(url_path=get_url, method="GET")

# result_json_dict = result.json()

# my_project_from_res_data_dict = result_json_dict["data"][0]

# project_list = cript.load_nodes_from_json(nodes_json=json.dumps(my_project_from_res_data_dict))
# project_loaded = project_list

# toluene = cript.Material(name="toluene", bigsmiles="smile") # , {"pubchem_id": 1140}])
# styrene = cript.Material(name="styrene", bigsmiles="smile") # , identifier=[{"smiles": "Cc1ccccc1"}])

# collection = cript.Collection(name=col_name)

# # prop1 = cript.Material.property(key="air_flow", method="prescribed", type="value")
# # create a phase property

# phase = cript.Property(key="phase", value="solid", type="none", unit=None)
# # create a color property
# color = cript.Property(key="color", value="white", type="none", unit=None)

# # add the properties to the material
# # polystyrene.property += [phase, color]

# # material_001 = cript.Material(name=mat_1, identifier=[])

# project_loaded.material = [project_loaded.material[0], toluene, styrene]

# print("\nPROPS")
# print(project_loaded.material[0])
# print(project_loaded.material[0].property)
# project_loaded.material[0].property += [phase, color]
# print(project_loaded.material[0].property)
# # quit()

# project_loaded.collection = [collection]
# experiment = cript.Experiment(name="Anionic Polymerization of Styrene with SecBuLi")
# project_loaded.collection[0].experiment += [experiment]

# # SAVE_NODE CALL HERE
# cript_api.save_node(project_loaded)

# get_url = f"/project/{uuid}"
# edited_result = cript_api._capsule_request(url_path=get_url, method="GET")

# assert len(edited_result.json()["data"]) == 1

# final = edited_result.json()["data"][0]

# assert len(final["material"]) == 2 # styrene and toluene

# set1 = set([final["material"][0]["name"].lower(), final["material"][1]["name"].lower()])

# set2 = set([json.loads(toluene.get_json().json)["name"].lower(), json.loads(styrene.get_json().json)["name"].lower()])

# assert set1 == set2 # or material_003toluene.get_json().json)["name"]

# assert final["collection"][0]["name"] == json.loads(collection.get_json().json)["name"]

# del_res = cript_api._capsule_request(url_path=f"/project/{uuid}", method="DELETE")

# assert del_res.json()["code"] == 200


@pytest.mark.skip(reason="api")
Expand Down

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