def get(self, cid):
"""Retrieve (and build) notebook for a single contribution [internal].
---
operationId: get_entry
parameters:
- name: cid
in: path
type: string
pattern: '^[a-f0-9]{24}$'
required: true
description: contribution ID (ObjectId)
responses:
200:
description: single notebook
schema:
$ref: '#/definitions/NotebooksSchema'
"""
try:
nb = Notebooks.objects.get(id=cid)
nb.restore()
except DoesNotExist:
cells = [
nbf.new_code_cell(
"# provide apikey to `load_client` in order to connect to api.mpcontribs.org\n"
"# or use bravado (see https://mpcontribs.org/api)\n"
"from mpcontribs.client import load_client\n"
"client = load_client()"
), nbf.new_code_cell(
"from mpcontribs.io.archieml.mpfile import MPFile\n"
f"result = client.contributions.get_entry(cid='{cid}').response().result\n"
"mpfile = MPFile.from_contribution(result)"
)
]
for typ in ['h', 't', 'g', 's']:
cells.append(nbf.new_code_cell(f"mpfile.{typ}data"))
nb = nbf.new_notebook()
nb['cells'] = cells
exprep.preprocess(nb, {})
nb = Notebooks(**nb)
nb.id = cid # to link to the according contribution
nb.save() # calls Notebooks.clean()
del nb.id
return nb
def get(self, cid):
"""Retrieve (and build) notebook for a single contribution [internal].
---
operationId: get_entry
parameters:
- name: cid
in: path
type: string
pattern: '^[a-f0-9]{24}$'
required: true
description: contribution ID (ObjectId)
responses:
200:
description: single notebook
schema:
$ref: '#/definitions/NotebooksSchema'
"""
try:
nb = Notebooks.objects.get(id=cid)
nb.restore()
except DoesNotExist:
cells = [
nbf.new_code_cell(
"# provide apikey to `load_client` in order to connect to api.mpcontribs.org\n"
"# or use bravado (see https://mpcontribs.org/api)\n"
"from mpcontribs.client import load_client\n"
"client = load_client()"),
nbf.new_code_cell(
"from mpcontribs.io.archieml.mpfile import MPFile\n"
f"result = client.contributions.get_entry(cid='{cid}').response().result\n"
"mpfile = MPFile.from_contribution(result)")
]
for typ in ['h', 't', 'g', 's']:
cells.append(nbf.new_code_cell(f"mpfile.{typ}data"))
nb = nbf.new_notebook()
nb['cells'] = cells
exprep.preprocess(nb, {})
nb = Notebooks(**nb)
nb.id = cid # to link to the according contribution
nb.save() # calls Notebooks.clean()
del nb.id
return nb
def get(self, cid):
"""Retrieve (and build) notebook for a single contribution [internal].
---
operationId: get_entry
parameters:
- name: cid
in: path
type: string
pattern: '^[a-f0-9]{24}$'
required: true
description: contribution ID (ObjectId)
responses:
200:
description: single notebook
schema:
$ref: '#/definitions/NotebooksSchema'
"""
try:
nb = Notebooks.objects.get(id=cid)
nb.restore()
except DoesNotExist:
contrib = Contributions.objects.no_dereference().get(id=cid)
cells = [
nbf.new_code_cell(
"client = load_client() # provide apikey as argument to use api.mpcontribs.org\n"
f"contrib = client.contributions.get_entry(cid='{cid}').response().result"
),
nbf.new_markdown_cell("## Provenance Info"),
nbf.new_code_cell(
"mask = ['title', 'authors', 'description', 'urls', 'other', 'project']\n"
"prov = client.projects.get_entry(project=contrib['project'], mask=mask).response().result\n"
"RecursiveDict(prov)"),
nbf.new_markdown_cell(
f"## Hierarchical Data for {contrib['identifier']}"),
nbf.new_code_cell("HierarchicalData(contrib['content'])")
]
tables = contrib.content['tables']
if tables:
cells.append(
nbf.new_markdown_cell(
f"## Tabular Data for {contrib['identifier']}"))
for ref in tables:
cells.append(
nbf.new_code_cell(
f"table = client.tables.get_entry(tid='{ref.id}').response().result # Pandas DataFrame format\n"
"Table.from_dict(table)"))
cells.append(nbf.new_code_cell("Plot.from_dict(table)"))
structures = contrib.content['structures']
if structures:
cells.append(
nbf.new_markdown_cell(
f"## Pymatgen Structures for {contrib['identifier']}"))
for ref in structures:
cells.append(
nbf.new_code_cell(
f"Structure.from_dict(client.structures.get_entry(sid='{ref.id}').response().result)"
))
kernel = client.start_kernel()
for cell in cells:
if cell.cell_type == 'code':
cell.outputs = kernel.execute(cell.source)
client.shutdown_kernel(kernel)
nb = deepcopy(seed_nb)
nb.cells += cells
nb = Notebooks(**nb)
nb.id = cid # to link to the according contribution
nb.save() # calls Notebooks.clean()
del nb.id
return nb