citrine.gemtables.columns module

Column definitions for GEM Tables.

class citrine.gemtables.columns.ChemicalDisplayFormat(value, names=<not given>, *values, module=None, qualname=None, type=None, start=1, boundary=None)

Bases: BaseEnumeration

Format to use when rendering a molecular structure.

• SMILES Simplified molecular-input line-entry system

• INCHI International Chemical Identifier

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.

INCHI = 'inchi'

SMILES = 'smiles'

class citrine.gemtables.columns.Column

Bases: PolymorphicSerializable[Column]

A column in the GEM Table, defined as some operation on a variable.

Abstract type that returns the proper type given a serialized dict.

classmethod build(data: dict) → SelfType

Build the underlying type.

classmethod get_type(data) → Type[Serializable]

Return the subtype.

class citrine.gemtables.columns.ComponentQuantityColumn(*, data_source: str | Variable, component_name: str, normalize: bool = False)

Bases: Serializable[ComponentQuantityColumn], Column

Column that extracts the quantity of a given component.

If the component is not present in the composition, then the value in the column will be 0.0.

Parameters:

• data_source (Union[str, Variable]) – name of the variable to use when populating the column

• component_name (str) – name of the component from which to extract the quantity

• normalize (bool) – whether to normalize the quantity by the sum of all component amounts. Default is false

classmethod build(data: dict) → Self

Build an instance of this object from given data.

dump() → dict

Dump this instance.

classmethod get_type(data) → Type[Serializable]

Return the subtype.

component_name = None

data_source = None

normalize = None

typ = 'component_quantity_column'

class citrine.gemtables.columns.CompositionSortOrder(value, names=<not given>, *values, module=None, qualname=None, type=None, start=1, boundary=None)

Bases: BaseEnumeration

Order to use when sorting the components in a composition.

• ALPHABETICAL is alpha-numeric order by the component name

• QUANTITY is ordered from the largest to smallest quantity, with ties broken alphabetically

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.

ALPHABETICAL = 'alphabetical'

QUANTITY = 'quantity'

class citrine.gemtables.columns.ConcatColumn(*, data_source: str | Variable, subcolumn: Column)

Bases: Serializable[ConcatColumn], Column

Column that concatenates multiple values produced by a list- or set-valued variable.

The input subcolumn need not exist elsewhere in the table config, and its parameters have no bearing on how the table is constructed. Only the type of column is relevant. That a complete Column object is required is simply a limitation of the current API.

Parameters:

• data_source (Union[str, Variable]) – name of the variable to use when populating the column

• subcolumn (Column) – a column of the type of the individual values to be concatenated

classmethod build(data: dict) → Self

Build an instance of this object from given data.

dump() → dict

Dump this instance.

classmethod get_type(data) → Type[Serializable]

Return the subtype.

data_source = None

subcolumn = None

typ = 'concat_column'

class citrine.gemtables.columns.FlatCompositionColumn(*, data_source: str | Variable, sort_order: CompositionSortOrder)

Bases: Serializable[FlatCompositionColumn], Column

Column that flattens the composition into a string of names and quantities.

The numeric formatting tries to be human readable. For example, if all of the quantities are round numbers like {"spam": 4.0, "eggs": 1.0} then the result omit the decimal points like "(spam)4(eggs)1" (if sort_order is by quantity).

Parameters:

• data_source (Union[str, Variable]) – name of the variable to use when populating the column

• sort_order (CompositionSortOrder) – order with which to sort the components when generating the flat string

classmethod build(data: dict) → Self

Build an instance of this object from given data.

dump() → dict

Dump this instance.

classmethod get_type(data) → Type[Serializable]

Return the subtype.

data_source = None

sort_order = None

typ = 'flat_composition_column'

class citrine.gemtables.columns.IdentityColumn(*, data_source: str | Variable)

Bases: Serializable[IdentityColumn], Column

Column containing the value of a string-valued variable.

Parameters:

data_source (Union[str, Variable]) – name of the variable to use when populating the column

classmethod build(data: dict) → Self

Build an instance of this object from given data.

dump() → dict

Dump this instance.

classmethod get_type(data) → Type[Serializable]

Return the subtype.

data_source = None

typ = 'identity_column'

class citrine.gemtables.columns.MeanColumn(*, data_source: str | Variable, target_units: str | None = None)

Bases: Serializable[MeanColumn], Column

Column containing the mean of a real-valued variable.

Parameters:

• data_source (Union[str, Variable]) – name of the variable to use when populating the column

• target_units (Optional[str]) –

  units to convert the real variable into. If not specified:

  1. If there is an OriginalUnitsColumnDefinition for that source,

     no conversion will be made.

  2. If not, the real variable will be converted by using the

     default_units from the associated template.

classmethod build(data: dict) → Self

Build an instance of this object from given data.

dump() → dict

Dump this instance.

classmethod get_type(data) → Type[Serializable]

Return the subtype.

data_source = None

target_units = None

typ = 'mean_column'

class citrine.gemtables.columns.MolecularStructureColumn(*, data_source: str | Variable, format: ChemicalDisplayFormat)

Bases: Serializable[MolecularStructureColumn], Column

Column containing a representation of a molecular structure.

Parameters:

• data_source (Union[str, Variable]) – name of the variable to use when populating the column

• format (ChemicalDisplayFormat) – the format in which to display the molecular structure

classmethod build(data: dict) → Self

Build an instance of this object from given data.

dump() → dict

Dump this instance.

classmethod get_type(data) → Type[Serializable]

Return the subtype.

data_source = None

format = None

typ = 'molecular_structure_column'

class citrine.gemtables.columns.MostLikelyCategoryColumn(*, data_source: str | Variable)

Bases: Serializable[MostLikelyCategoryColumn], Column

Column containing the most likely category.

Parameters:

data_source (Union[str, Variable]) – name of the variable to use when populating the column

classmethod build(data: dict) → Self

Build an instance of this object from given data.

dump() → dict

Dump this instance.

classmethod get_type(data) → Type[Serializable]

Return the subtype.

data_source = None

typ = 'most_likely_category_column'

class citrine.gemtables.columns.MostLikelyProbabilityColumn(*, data_source: str | Variable)

Bases: Serializable[MostLikelyProbabilityColumn], Column

Column containing the probability of the most likely category.

Parameters:

data_source (Union[str, Variable]) – name of the variable to use when populating the column

classmethod build(data: dict) → Self

Build an instance of this object from given data.

dump() → dict

Dump this instance.

classmethod get_type(data) → Type[Serializable]

Return the subtype.

data_source = None

typ = 'most_likely_probability_column'

class citrine.gemtables.columns.NthBiggestComponentNameColumn(*, data_source: str | Variable, n: int)

Bases: Serializable[NthBiggestComponentNameColumn], Column

Name of the Nth biggest component.

If there are fewer than N components in the composition, then this column will be empty.

Parameters:

• data_source (Union[str, Variable]) – name of the variable to use when populating the column

• n (int) – index of the component name to extract, starting with 1 for the biggest

classmethod build(data: dict) → Self

Build an instance of this object from given data.

dump() → dict

Dump this instance.

classmethod get_type(data) → Type[Serializable]

Return the subtype.

data_source = None

n = None

typ = 'biggest_component_name_column'

class citrine.gemtables.columns.NthBiggestComponentQuantityColumn(*, data_source: str | Variable, n: int, normalize: bool = False)

Bases: Serializable[NthBiggestComponentQuantityColumn], Column

Quantity of the Nth biggest component.

If there are fewer than N components in the composition, then this column will be empty.

Parameters:

• data_source (Union[str, Variable]) – name of the variable to use when populating the column

• n (int) – index of the component quantity to extract, starting with 1 for the biggest

• normalize (bool) – whether to normalize the quantity by the sum of all component amounts. Default is false

classmethod build(data: dict) → Self

Build an instance of this object from given data.

dump() → dict

Dump this instance.

classmethod get_type(data) → Type[Serializable]

Return the subtype.

data_source = None

n = None

normalize = None

typ = 'biggest_component_quantity_column'

class citrine.gemtables.columns.OriginalUnitsColumn(*, data_source: str | Variable)

Bases: Serializable[OriginalUnitsColumn], Column

Column containing the units as entered in the source data.

Parameters:

data_source (Union[str, Variable]) – name of the variable to use when populating the column

classmethod build(data: dict) → Self

Build an instance of this object from given data.

dump() → dict

Dump this instance.

classmethod get_type(data) → Type[Serializable]

Return the subtype.

data_source = None

typ = 'original_units_column'

class citrine.gemtables.columns.QuantileColumn(*, data_source: str | Variable, quantile: float, target_units: str | None = None)

Bases: Serializable[QuantileColumn], Column

Column containing a quantile of the variable.

The column is populated with the quantile function of the distribution evaluated at “quantile”. For example, for a uniform distribution parameterized by a lower and upper bound, the value in the column would be:

\[lower + (upper - lower) * quantile\]

while for a normal distribution parameterized by a mean and stddev, the value would be:

\[mean + stddev * \sqrt{2} * erf^{-1}(2 * quantile - 1)\]

Parameters:

• data_source (Union[str, Variable]) – name of the variable to use when populating the column

• quantile (float) – the quantile to use for the column, defined between 0.0 and 1.0

• target_units (Optional[str]) –

  units to convert the real variable into. If not specified:

  1. If there is an OriginalUnitsColumnDefinition for that source,

     no conversion will be made.

  2. If not, the real variable will be converted by using the

     default_units from the associated template.

classmethod build(data: dict) → Self

Build an instance of this object from given data.

dump() → dict

Dump this instance.

classmethod get_type(data) → Type[Serializable]

Return the subtype.

data_source = None

quantile = None

target_units = None

typ = 'quantile_column'

class citrine.gemtables.columns.StdDevColumn(*, data_source: str | Variable, target_units: str | None = None)

Bases: Serializable[StdDevColumn], Column

Column containing the standard deviation of a real-valued variable.

Parameters:

• data_source (Union[str, Variable]) – name of the variable to use when populating the column

• target_units (Optional[str]) –

  units to convert the real variable into. If not specified:

  1. If there is an OriginalUnitsColumnDefinition for that source,

     no conversion will be made.

  2. If not, the real variable will be converted by using the

     default_units from the associated template.

classmethod build(data: dict) → Self

Build an instance of this object from given data.

dump() → dict

Dump this instance.

classmethod get_type(data) → Type[Serializable]

Return the subtype.

data_source = None

target_units = None

typ = 'std_dev_column'