Package data :: Module exp_info :: Class ExpInfo
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Class ExpInfo

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The experimental information data container.

Instance Methods [hide private]
 
__init__(self)
Initialise the data container.
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add_citation(self, cite_id=None, authors=None, doi=None, pubmed_id=None, full_citation=None, title=None, status=None, type=None, journal_abbrev=None, journal_full=None, volume=None, issue=None, page_first=None, page_last=None, year=None)
Store a citation.
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int
get_cite_id_num(self, cite_id)
Return the citation ID number for the given citation ID string.
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setup_peak_intensity_type(self, ri_id, type)
Store the peak intensity type.
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setup_thiol(self, state)
Set up the thiol state of the system.
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setup_script(self, file=None, dir=None, cite_ids=None, text=None, analysis_type=None, model_selection=None, engine=None, model_elim=False, universal_solution=False)
Specify the scripts used in the analysis.
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software_setup(self, name, version=None, url=None, vendor_name=None, cite_ids=None, tasks=None)
Set up the software information.
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temp_calibration_setup(self, ri_id, method)
Store the temperature calibration method.
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temp_control_setup(self, ri_id, method)
Store the temperature control method.
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Inherited from data_classes.Element: __repr__, from_xml, is_empty, to_xml

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __setattr__, __sizeof__, __str__, __subclasshook__

Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self)
(Constructor)

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Initialise the data container.

Parameters:
  • name - The name of the object.
  • desc - The description of the object.
Overrides: object.__init__

add_citation(self, cite_id=None, authors=None, doi=None, pubmed_id=None, full_citation=None, title=None, status=None, type=None, journal_abbrev=None, journal_full=None, volume=None, issue=None, page_first=None, page_last=None, year=None)

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Store a citation.

Parameters:
  • cite_id (str) - The citation ID string.
  • authors (list of lists of str) - The list of authors. Each author element is a list of four elements: the first name, last name, first initial, and middle initials.
  • doi (None or str) - The DOI number, e.g. "10.1000/182".
  • pubmed_id (None or int) - The identification code assigned to the publication by PubMed.
  • full_citation (str) - A full citation in a format similar to that used in a journal article by either cutting and pasting from another document or by typing. Please include author names, title, journal, page numbers, and year or equivalent information for the type of publication given.
  • title (str) - The title of the publication.
  • status (str) - The publication status. Can be one of in "preparation", "in press", "published", "retracted", or "submitted".
  • type (str) - The publication type. Can be one of "abstract", "BMRB only", "book", "book chapter", "internet", "journal", "personal communication", or "thesis".
  • journal_abbrev (str) - A standard journal abbreviation as defined by the Chemical Abstract Services for the journal where the data are or will be published. If the data in the deposition are related to a J. Biomol. NMR paper, the value must be 'J. Biomol. NMR' to alert the BMRB annotators so that the deposition is properly processed. If the depositor truly does not know the journal, a value of 'not known' or 'na' is acceptable.
  • journal_full (str) - The full journal name.
  • volume (int) - The volume number.
  • issue (int) - The issue number.
  • page_first (int) - The first page number.
  • page_last (int) - The last page number.
  • year (int) - The publication year.

get_cite_id_num(self, cite_id)

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Return the citation ID number for the given citation ID string.

Parameters:
  • cite_id (str) - The citation ID string.
Returns: int
The citation ID number.

setup_peak_intensity_type(self, ri_id, type)

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Store the peak intensity type.

Parameters:
  • ri_id (str) - The relaxation data ID string.
  • type (str) - The peak intensity type, one of 'height' or 'volume'.

setup_thiol(self, state)

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Set up the thiol state of the system.

Parameters:
  • state (str) - The thiol state of the molecule.

setup_script(self, file=None, dir=None, cite_ids=None, text=None, analysis_type=None, model_selection=None, engine=None, model_elim=False, universal_solution=False)

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Specify the scripts used in the analysis.

Parameters:
  • file (str) - The name of the script file.
  • dir (None or str) - The directory containing the file (defaults to the current directory if None).
  • cite_ids (None or str) - The citation ID numbers.
  • text (str) - The script text.
  • analysis_type (str) - The type of analysis performed.
  • model_selection (None or str) - The model selection technique used, if relevant.
  • engine (str) - The software engine used in the analysis.
  • model_elim (bool) - A model-free specific flag specifying if model elimination was performed.
  • universal_solution (bool) - A model-free specific flag specifying if the universal solution was sought after.

software_setup(self, name, version=None, url=None, vendor_name=None, cite_ids=None, tasks=None)

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Set up the software information.

Parameters:
  • name (str) - The name of the software program.
  • version (None or str) - The program version.
  • url (None or str) - The program's URL.
  • vendor_name (str) - The name of the company or person behind the program.
  • cite_ids (None or str) - The citation ID numbers.
  • tasks (list of str) - The tasks performed by the program.

temp_calibration_setup(self, ri_id, method)

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Store the temperature calibration method.

Parameters:
  • ri_id (str) - The relaxation data ID string.
  • method (str) - The temperature calibration method.

temp_control_setup(self, ri_id, method)

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Store the temperature control method.

Parameters:
  • ri_id (str) - The relaxation data ID string.
  • method (str) - The temperature control method.