citrine.resources.design_space module

Resources that represent collections of design spaces.

class citrine.resources.design_space.DefaultDesignSpaceMode(value, names=<not given>, *values, module=None, qualname=None, type=None, start=1, boundary=None)

Bases: BaseEnumeration

The type of default design space to create.

• ATTRIBUTE results in a product design space containing dimensions required by the predictor

• HIERARCHICAL results in a hierarchical design space resembling the shape of training data

capitalize()

Return a capitalized version of the string.

More specifically, make the first character have upper case and the rest lower case.

casefold()

Return a version of the string suitable for caseless comparisons.

center(width, fillchar=' ', /)

Return a centered string of length width.

Padding is done using the specified fill character (default is a space).

count(sub[, start[, end]]) → int

Return the number of non-overlapping occurrences of substring sub in string S[start:end]. Optional arguments start and end are interpreted as in slice notation.

encode(encoding='utf-8', errors='strict')

Encode the string using the codec registered for encoding.

encoding

The encoding in which to encode the string.

errors

The error handling scheme to use for encoding errors. The default is ‘strict’ meaning that encoding errors raise a UnicodeEncodeError. Other possible values are ‘ignore’, ‘replace’ and ‘xmlcharrefreplace’ as well as any other name registered with codecs.register_error that can handle UnicodeEncodeErrors.

endswith(suffix[, start[, end]]) → bool

Return True if S ends with the specified suffix, False otherwise. With optional start, test S beginning at that position. With optional end, stop comparing S at that position. suffix can also be a tuple of strings to try.

expandtabs(tabsize=8)

Return a copy where all tab characters are expanded using spaces.

If tabsize is not given, a tab size of 8 characters is assumed.

find(sub[, start[, end]]) → int

Return the lowest index in S where substring sub is found, such that sub is contained within S[start:end]. Optional arguments start and end are interpreted as in slice notation.

Return -1 on failure.

format(*args, **kwargs) → str

Return a formatted version of S, using substitutions from args and kwargs. The substitutions are identified by braces (‘{’ and ‘}’).

format_map(mapping) → str

Return a formatted version of S, using substitutions from mapping. The substitutions are identified by braces (‘{’ and ‘}’).

index(sub[, start[, end]]) → int

Return the lowest index in S where substring sub is found, such that sub is contained within S[start:end]. Optional arguments start and end are interpreted as in slice notation.

Raises ValueError when the substring is not found.

isalnum()

Return True if the string is an alpha-numeric string, False otherwise.

A string is alpha-numeric if all characters in the string are alpha-numeric and there is at least one character in the string.

isalpha()

Return True if the string is an alphabetic string, False otherwise.

A string is alphabetic if all characters in the string are alphabetic and there is at least one character in the string.

isascii()

Return True if all characters in the string are ASCII, False otherwise.

ASCII characters have code points in the range U+0000-U+007F. Empty string is ASCII too.

isdecimal()

Return True if the string is a decimal string, False otherwise.

A string is a decimal string if all characters in the string are decimal and there is at least one character in the string.

isdigit()

Return True if the string is a digit string, False otherwise.

A string is a digit string if all characters in the string are digits and there is at least one character in the string.

isidentifier()

Return True if the string is a valid Python identifier, False otherwise.

Call keyword.iskeyword(s) to test whether string s is a reserved identifier, such as “def” or “class”.

islower()

Return True if the string is a lowercase string, False otherwise.

A string is lowercase if all cased characters in the string are lowercase and there is at least one cased character in the string.

isnumeric()

Return True if the string is a numeric string, False otherwise.

A string is numeric if all characters in the string are numeric and there is at least one character in the string.

isprintable()

Return True if the string is printable, False otherwise.

A string is printable if all of its characters are considered printable in repr() or if it is empty.

isspace()

Return True if the string is a whitespace string, False otherwise.

A string is whitespace if all characters in the string are whitespace and there is at least one character in the string.

istitle()

Return True if the string is a title-cased string, False otherwise.

In a title-cased string, upper- and title-case characters may only follow uncased characters and lowercase characters only cased ones.

isupper()

Return True if the string is an uppercase string, False otherwise.

A string is uppercase if all cased characters in the string are uppercase and there is at least one cased character in the string.

join(iterable, /)

Concatenate any number of strings.

The string whose method is called is inserted in between each given string. The result is returned as a new string.

Example: ‘.’.join([‘ab’, ‘pq’, ‘rs’]) -> ‘ab.pq.rs’

ljust(width, fillchar=' ', /)

Return a left-justified string of length width.

Padding is done using the specified fill character (default is a space).

lower()

Return a copy of the string converted to lowercase.

lstrip(chars=None, /)

Return a copy of the string with leading whitespace removed.

If chars is given and not None, remove characters in chars instead.

static maketrans()

Return a translation table usable for str.translate().

If there is only one argument, it must be a dictionary mapping Unicode ordinals (integers) or characters to Unicode ordinals, strings or None. Character keys will be then converted to ordinals. If there are two arguments, they must be strings of equal length, and in the resulting dictionary, each character in x will be mapped to the character at the same position in y. If there is a third argument, it must be a string, whose characters will be mapped to None in the result.

partition(sep, /)

Partition the string into three parts using the given separator.

This will search for the separator in the string. If the separator is found, returns a 3-tuple containing the part before the separator, the separator itself, and the part after it.

If the separator is not found, returns a 3-tuple containing the original string and two empty strings.

removeprefix(prefix, /)

Return a str with the given prefix string removed if present.

If the string starts with the prefix string, return string[len(prefix):]. Otherwise, return a copy of the original string.

removesuffix(suffix, /)

Return a str with the given suffix string removed if present.

If the string ends with the suffix string and that suffix is not empty, return string[:-len(suffix)]. Otherwise, return a copy of the original string.

replace(old, new, count=-1, /)

Return a copy with all occurrences of substring old replaced by new.

count

Maximum number of occurrences to replace. -1 (the default value) means replace all occurrences.

If the optional argument count is given, only the first count occurrences are replaced.

rfind(sub[, start[, end]]) → int

Return the highest index in S where substring sub is found, such that sub is contained within S[start:end]. Optional arguments start and end are interpreted as in slice notation.

Return -1 on failure.

rindex(sub[, start[, end]]) → int

Return the highest index in S where substring sub is found, such that sub is contained within S[start:end]. Optional arguments start and end are interpreted as in slice notation.

Raises ValueError when the substring is not found.

rjust(width, fillchar=' ', /)

Return a right-justified string of length width.

Padding is done using the specified fill character (default is a space).

rpartition(sep, /)

Partition the string into three parts using the given separator.

This will search for the separator in the string, starting at the end. If the separator is found, returns a 3-tuple containing the part before the separator, the separator itself, and the part after it.

If the separator is not found, returns a 3-tuple containing two empty strings and the original string.

rsplit(sep=None, maxsplit=-1)

Return a list of the substrings in the string, using sep as the separator string.

sep

The separator used to split the string.

When set to None (the default value), will split on any whitespace character (including n r t f and spaces) and will discard empty strings from the result.

maxsplit

Maximum number of splits. -1 (the default value) means no limit.

Splitting starts at the end of the string and works to the front.

rstrip(chars=None, /)

Return a copy of the string with trailing whitespace removed.

If chars is given and not None, remove characters in chars instead.

split(sep=None, maxsplit=-1)

Return a list of the substrings in the string, using sep as the separator string.

sep

The separator used to split the string.

When set to None (the default value), will split on any whitespace character (including n r t f and spaces) and will discard empty strings from the result.

maxsplit

Maximum number of splits. -1 (the default value) means no limit.

Splitting starts at the front of the string and works to the end.

Note, str.split() is mainly useful for data that has been intentionally delimited. With natural text that includes punctuation, consider using the regular expression module.

splitlines(keepends=False)

Return a list of the lines in the string, breaking at line boundaries.

Line breaks are not included in the resulting list unless keepends is given and true.

startswith(prefix[, start[, end]]) → bool

Return True if S starts with the specified prefix, False otherwise. With optional start, test S beginning at that position. With optional end, stop comparing S at that position. prefix can also be a tuple of strings to try.

strip(chars=None, /)

Return a copy of the string with leading and trailing whitespace removed.

If chars is given and not None, remove characters in chars instead.

swapcase()

Convert uppercase characters to lowercase and lowercase characters to uppercase.

title()

Return a version of the string where each word is titlecased.

More specifically, words start with uppercased characters and all remaining cased characters have lower case.

translate(table, /)

Replace each character in the string using the given translation table.

table

Translation table, which must be a mapping of Unicode ordinals to Unicode ordinals, strings, or None.

The table must implement lookup/indexing via __getitem__, for instance a dictionary or list. If this operation raises LookupError, the character is left untouched. Characters mapped to None are deleted.

upper()

Return a copy of the string converted to uppercase.

zfill(width, /)

Pad a numeric string with zeros on the left, to fill a field of the given width.

The string is never truncated.

ATTRIBUTE = 'ATTRIBUTE'

HIERARCHICAL = 'HIERARCHICAL'

class citrine.resources.design_space.DesignSpaceCollection(project_id: UUID, session: Session)

Bases: Collection[DesignSpace]

Represents the collection of design spaces as well as the resources belonging to it.

Parameters:

project_id (UUID) – the UUID of the project

archive(uid: UUID | str) → DesignSpace

Archiving a design space removes it from view, but is not a hard delete.

Parameters:

uid (Union[UUID, str]) – Unique identifier of the design space to archive

build(data: dict) → DesignSpace

Build an individual design space.

convert_to_hierarchical(uid: UUID | str, *, predictor_id: UUID | str, predictor_version: int | str | None = None) → HierarchicalDesignSpace

Convert an existing ProductDesignSpace into an equivalent HierarchicalDesignSpace.

A ProductDesignSpace can be mapped to a HierarchicalDesignSpace by using the associated predictor and its training data to infer the shape of the hierarchical design space. Constraints are then transferred from the product design space to the appropriate node in the hierarchical design space.

Parameters:

• uid (Union[str, UUID]) – UUID of the existing product design space to convert to a hierarchical version

• predictor_id (Union[UUID, str]) – UUID of a predictor associated with the design space.

• predictor_version (Optional[Union[int, str]]) – Version of the predictor to use. Defaults to the most recent version.

Returns:

• A HierarchicalDesignSpace modeled on the

• existing ProductDesignSpace.

create_default(*, predictor_id: UUID, predictor_version: int | str | None = None, mode: DefaultDesignSpaceMode = DefaultDesignSpaceMode.ATTRIBUTE, include_ingredient_fraction_constraints: bool = False, include_label_fraction_constraints: bool = False, include_label_count_constraints: bool = False, include_parameter_constraints: bool = False) → DesignSpace

Create a default design space for a predictor.

This method will return an unregistered design space for all inputs that are not responses of the predictor. The design space will contain a FormulationDesignSpace for each formulation input. Dimensions are constructed for all other inputs. A ContinuousDimension is constructed for each input that corresponds to a RealDescriptor. An EnumeratedDimension is constructed for all other inputs. Enumerated values taken from the allowed categories of a CategoricalDescriptor or from the unique values from the training data for all other descriptors.

Parameters:

• predictor_id (UUID) – UUID of the predictor used to construct the design space

• predictor_version (Optional[Union[int, str]]) – Version of the predictor used to construct the design space

• mode (DefaultDesignSpaceMode) – The type of default design space to produce. Defaults to DefaultDesignSpaceMode.ATTRIBUTE.

• include_ingredient_fraction_constraints (bool) – Whether to include constraints on ingredient fractions based on the training data. Defaults to False.

• include_label_fraction_constraints (bool) – Whether to include constraints on label fractions based on the training data. Defaults to False.

• include_label_count_constraints (bool) – Whether to include constraints on labeled ingredient counts based on the training data. Defaults to False.

• include_parameter_constraints (bool) – Whether to include constraints on all other inputs based on the training data. Defaults to False.

Returns:

Default design space

Return type:

DesignSpace

delete(uid: UUID | str)

Design Spaces cannot be deleted at this time.

get(uid: UUID | str) → ResourceType

Get a particular element of the collection.

list(*, per_page: int = 20) → Iterable[DesignSpace]

List the most recent version of all non-archived design spaces.

list_all(*, per_page: int = 20) → Iterable[DesignSpace]

List the most recent version of all design spaces.

list_archived(*, per_page: int = 20) → Iterable[DesignSpace]

List the most recent version of all archived predictors.

register(design_space: DesignSpace) → DesignSpace

Create a new design space.

restore(uid: UUID | str) → DesignSpace

Restore an archived design space.

Parameters:

uid (Union[UUID, str]) – Unique identifier of the design space to restore

update(design_space: DesignSpace) → DesignSpace

Update and validate an existing DesignSpace.