def schema():
"""view the validation schema"""
if not is_dbenv_loaded():
load_dbenv()
from aiida.orm import DataFactory
schema = DataFactory('crystal17.structsettings').data_schema
edict.pprint(schema, depth=None, print_func=click.echo)
def show(pk, symmetries):
"""show the contents of a symmetryData"""
node = load_node(pk)
if not isinstance(node, DataFactory("crystal17.symmetry")):
click.echo("The node was not of type 'crystal17.symmetry'", err=True)
elif symmetries:
edict.pprint(node.data, print_func=click.echo, round_floats=5)
else:
edict.pprint(node.attributes, print_func=click.echo)
def show(pk, content):
"""show the contents of a basis set"""
if not is_dbenv_loaded():
load_dbenv()
from aiida.orm import load_node
node = load_node(pk)
if not isinstance(node, get_data_class('crystal17.basisset')):
click.echo("The node was not of type 'crystal17.basisset'", err=True)
else:
edict.pprint(node.metadata, depth=None, print_func=click.echo)
if content:
click.echo("---")
click.echo(node.content)
def show(pk, symmetries):
"""show the contents of a StructSettingsData"""
if not is_dbenv_loaded():
load_dbenv()
from aiida.orm import load_node
from aiida.orm import DataFactory
node = load_node(pk)
if not isinstance(node, DataFactory('crystal17.structsettings')):
click.echo("The node was not of type 'crystal17.structsettings'",
err=True)
elif symmetries:
edict.pprint(node.data, print_func=click.echo, round_floats=5)
else:
edict.pprint(dict(node.iterattrs()), print_func=click.echo)
def potential_list(entry_point, schema_depth):
"""Display a list of all available plugins."""
entry_point_group = "gulp.potentials"
if entry_point:
try:
plugin = load_entry_point(entry_point_group, entry_point)
except EntryPointError as exception:
echo.echo_critical(str(exception))
else:
try:
echo.echo(str(plugin.get_description()), bold=True)
except (AttributeError, TypeError):
echo.echo_error(
"No description available for {}".format(entry_point))
try:
schema = plugin.get_schema()
echo.echo("Data Schema:")
edict.pprint(schema,
depth=schema_depth,
print_func=echo.echo,
keycolor="blue")
except (AttributeError, TypeError):
echo.echo_error("No validation schema available for {}".format(
entry_point))
else:
entry_points = get_entry_point_names(entry_point_group)
if entry_points:
echo.echo(
"Registered entry points for {}:".format(entry_point_group))
for registered_entry_point in entry_points:
echo.echo("* {}".format(registered_entry_point))
echo.echo("")
echo.echo_info(
"Pass the entry point as an argument to display detailed information"
)
else:
echo.echo_error(
"No plugins found for group {}".format(entry_point_group))
def show(node, content):
"""Show the contents of a basis set node."""
edict.pprint(node.metadata, depth=None, print_func=click.echo)
if content:
click.echo("---")
click.echo(node.content)
def schema():
"""view the validation schema"""
schema = DataFactory("crystal17.symmetry").data_schema
edict.pprint(schema, depth=None, print_func=click.echo)