assertionlib.ndrepr

A module for holding the NDRepr class, a subclass of the builtin reprlib.Repr class.

Index

NDRepr(**kwargs) A subclass of reprlib.Repr with methods for handling additional object types.

Type-specific repr methods:

NDRepr.repr_float Create a str representation of a float instance.
NDRepr.repr_Exception Create a str representation of an :exc`Exception` instance.
NDRepr.repr_Signature Create a str representation of a Signature instance.
NDRepr.repr_method Create a str representation of a bound method.
NDRepr.repr_method_descriptor Create a str representation of an unbound method.
NDRepr.repr_function Create a str representation of a function.
NDRepr.repr_builtin_function_or_method Create a str representation of a builtin function or method.
NDRepr.repr_type Create a str representation of a type object.
NDRepr.repr_module Create a str representation of a module.
NDRepr.repr_dict_keys Create a str representation of a KeysView.
NDRepr.repr_dict_values Create a str representation of a ValuesView.
NDRepr.repr_dict_items Create a str representation of a ItemsView.
NDRepr.repr_Molecule Create a str representation of a plams.Molecule instance.
NDRepr.repr_Settings Create a str representation of a plams.Settings instance.
NDRepr.repr_Atom Create a str representation of a plams.Atom instance.
NDRepr.repr_Bond Create a str representation of a plams.Bond instance.
NDRepr.repr_ndarray Create a str representation of a numpy.ndarray instance.
NDRepr.repr_DataFrame Create a str representation of a pandas.DataFrame instance.
NDRepr.repr_Series Create a str representation of a pandas.Series instance.
NDRepr.repr_Dataset Create a str representation of a h5py.Dataset instance.

API

class assertionlib.ndrepr.NDRepr(**kwargs: Union[int, Mapping[str, Any]])[source]

A subclass of reprlib.Repr with methods for handling additional object types.

Has additional methods for handling:

  • PLAMS Molecules, Atoms, Bonds and Settings
  • NumPy arrays
  • Pandas Series and DataFrames
  • Callables
Parameters:**kwargs (object) – User-specified values for one or more NDRepr instance attributes. An AttributeError is raised upon encountering unrecognized keys.
maxSignature

The maximum length of callables’ signatures before further parameters are truncated. See also NDRepr.repr_Signature().

Type:int
maxfloat

The number of to-be displayed float decimals. See also NDRepr.repr_float().

Type:int
maxMolecule

The maximum number of to-be displayed atoms and bonds in PLAMS molecules. See also NDRepr.repr_Molecule().

Type:int
maxndarray

The maximum number of items in a numpy.ndarray row. Passed as argument to the numpy.printoptions() function:

  • threshold = self.maxndarray
  • edgeitems = self.maxndarray // 2

See also NDRepr.repr_ndarray().

Type:int
maxSeries

The maximum number of rows per pandas.Series instance. Passed as value to pandas.options.display.

  • pandas.options.display.max_rows = self.series

See also NDRepr.repr_Series().

Type:int
maxDataFrame

The maximum number of rows per pandas.DataFrame instance. Passed as values to pandas.options.display:

  • pandas.options.display.max_rows = self.maxdataframe
  • pandas.options.display.max_columns = self.maxdataframe // 2

See also NDRepr.repr_DataFrame().

Type:int
np_printoptions

Additional keyword arguments for numpy.printoptions().

Note

Arguments provided herein will take priority over those specified internally in NDRepr.repr_ndarray().

Type:dict
pd_printoptions

Additional “keyword arguments” for pandas.options.

Note

Arguments provided herein will take priority over those specified internally in NDRepr.repr_DataFrame() and NDRepr.repr_Series().

Type:dict
NDRepr.repr_float(obj: float, level: int)str[source]

Create a str representation of a float instance.

NDRepr.repr_Exception(obj: Exception, level: int)str[source]

Create a str representation of an :exc`Exception` instance.

NDRepr.repr_Signature(obj: inspect.Signature, level: int)str[source]

Create a str representation of a Signature instance.

NDRepr.repr_method(obj: builtins.method, level: int)str[source]

Create a str representation of a bound method.

NDRepr.repr_method_descriptor(obj: builtins.method_descriptor, level: int)str[source]

Create a str representation of an unbound method.

NDRepr.repr_function(obj: builtins.function, level: int)str[source]

Create a str representation of a function.

NDRepr.repr_builtin_function_or_method(obj: builtins.builtin_function_or_method, level: int)str[source]

Create a str representation of a builtin function or method.

NDRepr.repr_type(obj: type, level: int)str[source]

Create a str representation of a type object.

NDRepr.repr_module(obj: builtins.module, level: int)str[source]

Create a str representation of a module.

NDRepr.repr_dict_keys(obj: KeysView[Any], level: int)str[source]

Create a str representation of a KeysView.

NDRepr.repr_dict_values(obj: ValuesView[Any], level: int)str[source]

Create a str representation of a ValuesView.

NDRepr.repr_dict_items(obj: ItemsView[Any, Any], level: int)str[source]

Create a str representation of a ItemsView.

NDRepr.repr_Molecule(obj: scm.plams.mol.molecule.Molecule, level: int)str[source]

Create a str representation of a plams.Molecule instance.

NDRepr.repr_Settings(obj: scm.plams.core.settings.Settings, level: int)str[source]

Create a str representation of a plams.Settings instance.

NDRepr.repr_Atom(obj: scm.plams.mol.molecule.Atom, level: int)str[source]

Create a str representation of a plams.Atom instance.

NDRepr.repr_Bond(obj: scm.plams.mol.molecule.Bond, level: int)str[source]

Create a str representation of a plams.Bond instance.

NDRepr.repr_ndarray(obj: numpy.ndarray, level: int)str[source]

Create a str representation of a numpy.ndarray instance.

NDRepr.repr_DataFrame(obj: pandas.core.frame.DataFrame, level: int)str[source]

Create a str representation of a pandas.DataFrame instance.

NDRepr.repr_Series(obj: pandas.core.series.Series, level: int)str[source]

Create a str representation of a pandas.Series instance.

NDRepr.repr_Dataset(obj: h5py._h1.dataset.Dataset, level: int)str[source]

Create a str representation of a h5py.Dataset instance.