pleiades.sammy.io.card_formats.par10_isotopes module

pleiades.sammy.io.card_formats.par10_isotopes.logical_line_two(lst) → bool

Validates a list representing spin group numbers according to specific rules.

The input list is expected to have the following structure:

• The first element is a flag (vary flag) that must be either 0 or 1.

• The remaining elements represent spin group numbers.

Validation criteria:

1. The list must not be empty.

2. The first element (flag) must be 0 or 1.

3. All spin group numbers (elements after the first) must be:

   • Positive integers (> 0)

   • Unique (no duplicates)

   • Strictly increasing (each subsequent number is greater than the previous)

Parameters:

lst (list) – A list where the first element is a flag (0 or 1), followed by spin group numbers.

Returns:

True if the list meets all validation criteria, False otherwise.

Return type:

bool

Examples

>>> logical_line_two([1, 2, 3, 5])
True
>>> logical_line_two([0, 1, 1, 2])
False
>>> logical_line_two([2, 1, 2, 3])
False

pleiades.sammy.io.card_formats.par10_isotopes.get_line_two_format_and_parse(line)

Parses a line to extract spin group numbers using either the standard or extended format.

This function attempts to parse a given line, extracting spin group numbers based on two possible formats: standard and extended. The function first strips trailing whitespace from the line, then divides the relevant portion of the line into fields according to the widths defined in the LINE_TWO_BACK_MATTER_STANDARD and LINE_TWO_BACK_MATTER_EXTENDED dictionaries. It attempts to convert each field to an integer, stopping at the first occurrence of “-1” or an invalid value.

The function then checks which format (standard or extended) yields a logically valid result using the logical_line_two function. If a valid format is found, it returns a tuple containing the first spin group number and a list of the remaining spin group numbers. If neither format is valid, it logs an error and raises a ValueError.

Parameters:

line (str) – The input line from which to parse spin group numbers.

Returns:

A tuple (first_group, remaining_groups), where first_group is the first parsed spin group

number (int), and remaining_groups is a list of the remaining parsed spin group numbers (List[int]).

Return type:

tuple

Raises:

ValueError – If neither the standard nor extended format yields a valid set of spin group numbers.

Logs:

Error messages if the input line cannot be parsed into a valid format.

pleiades.sammy.io.card_formats.par10_isotopes.parse_line_three(line)

Parse a line according to the Card-10 line-3 extended format and return a list of spin groups.

This function processes a fixed-width formatted line, extracting integer values representing spin groups. It iterates over the line in field-width increments, starting from a specified offset, and attempts to convert each field to an integer. If a field contains the continuation marker “-1”, parsing stops. If a field cannot be converted to an integer, -1 is appended as a placeholder.

Parameters:

line (str) – The input line to parse, expected to follow the Card-10 line-3 extended format.

Returns:

A list of integers representing the parsed spin groups. Invalid or empty fields are represented by -1. Parsing stops at the first occurrence of the “-1” marker.

Return type:

List[int]

class pleiades.sammy.io.card_formats.par10_isotopes.Card10

Bases: BaseModel

Container for a complete isotope parameter card set (Card Set 10).

This class handles a complete Card Set 10, including: - Header line validation - Multiple isotope entries - Total abundance validation - Format selection (standard vs extended)

classmethod is_header_line(line: str) → bool

Check if line is a valid header line.

Parameters:

line – Input line to check

Returns:

True if the first 5 characters of the line are ‘ISOTO’

Return type:

bool

classmethod from_lines(lines: List[str], fit_config: FitConfig = None) → None

Parse a complete isotope parameter card set from lines.

Parameters:

• lines – List of input lines including header and blank terminator

• FitConfig – FitConfig object to read isotopes into.

Raises:

ValueError – If no valid header found or invalid format

static to_lines(fit_config: FitConfig) → List[str]

Convert a fit_config object to a Card 10 list of lines.

Figures out the number of spin groups and formats the lines accordingly.

Parameters:

fit_config (FitConfig) – FitConfig object containing isotope parameters.

Returns:

List of lines representing the Card10 object.

Return type:

List[str]

model_config = {}

Configuration for the model, should be a dictionary conforming to [ConfigDict][pydantic.config.ConfigDict].