Package specific_analyses :: Package model_free :: Module results :: Class Results
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Class Results

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Class containing methods specific to the model-free results files.

Instance Methods [hide private]
str
_determine_version(self, file_data, verbosity=1)
Determine which relax version the results file belongs to.
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_fix_params(self, spin_line, col, verbosity=1)
Fix certain parameters depending on the model type.
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_generate_sequence(self, spin_line, col, verbosity=1)
Generate the sequence.
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_load_model_free_data(self, spin_line, col, data_set, spin, spin_id, verbosity=1)
Read the model-free data for the spin.
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_load_relax_data(self, spin_line, col, data_set, spin, verbosity=1)
Load the relaxation data.
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bool
_load_structure(self, spin_line, col, verbosity=1)
Load the structure back into the current data pipe.
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_read_1_2_results(self, file_data, verbosity=1)
Read the relax 1.2 model-free results file.
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dictionary of int
_read_1_2_col_numbers(self, header)
Determine the column indices from the header line.
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_read_1_2_set_diff_tensor(self, spin_line, col, data_set, verbosity=1, sim_num=None)
Set up the diffusion tensor.
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_set_xh_vect(self, spin_line, col, spin, spin_id1=None, spin_id2=None, verbosity=1)
Set the unit vectors.
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read_columnar_results(self, file_data, verbosity=1)
Read the columnar formatted model-free results file.
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Method Details [hide private]

_determine_version(self, file_data, verbosity=1)

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Determine which relax version the results file belongs to.

Parameters:
  • file_data (list of lists of str) - The processed results file data.
  • verbosity (int) - A variable specifying the amount of information to print. The higher the value, the greater the verbosity.
Returns: str
The relax version number.
Raises:
  • RelaxError - If the relax version the model-free results file belongs to cannot be determined.

_fix_params(self, spin_line, col, verbosity=1)

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Fix certain parameters depending on the model type.

Parameters:
  • spin_line (list of str) - The line of data for a single spin.
  • col (dict of int) - The column indices.
  • verbosity (int) - A variable specifying the amount of information to print. The higher the value, the greater the verbosity.

_generate_sequence(self, spin_line, col, verbosity=1)

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Generate the sequence.

Parameters:
  • spin_line (list of str) - The line of data for a single spin.
  • col (dict of int) - The column indices.
  • verbosity (int) - A variable specifying the amount of information to print. The higher the value, the greater the verbosity.

_load_model_free_data(self, spin_line, col, data_set, spin, spin_id, verbosity=1)

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Read the model-free data for the spin.

Parameters:
  • spin_line (list of str) - The line of data for a single spin.
  • col (dict of int) - The column indices.
  • data_set (str) - The data set type, one of 'value', 'error', or 'sim_xxx' (where xxx is a number).
  • spin (SpinContainer instance) - The spin container.
  • spin_id (str) - The spin identification string.
  • verbosity (int) - A variable specifying the amount of information to print. The higher the value, the greater the verbosity.

_load_relax_data(self, spin_line, col, data_set, spin, verbosity=1)

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Load the relaxation data.

Parameters:
  • spin_line (list of str) - The line of data for a single spin.
  • col (dict of int) - The column indices.
  • data_set (str) - The data set type, one of 'value', 'error', or 'sim_xxx' (where xxx is a number).
  • spin (SpinContainer instance) - The spin container.
  • verbosity (int) - A variable specifying the amount of information to print. The higher the value, the greater the verbosity.

_load_structure(self, spin_line, col, verbosity=1)

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Load the structure back into the current data pipe.

Parameters:
  • spin_line (list of str) - The line of data for a single spin.
  • col (dict of int) - The column indices.
  • verbosity (int) - A variable specifying the amount of information to print. The higher the value, the greater the verbosity.
Returns: bool
True if the structure was loaded, False otherwise.

_read_1_2_results(self, file_data, verbosity=1)

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Read the relax 1.2 model-free results file.

Parameters:
  • file_data (list of lists of str) - The processed results file data.
  • verbosity (int) - A variable specifying the amount of information to print. The higher the value, the greater the verbosity.

_read_1_2_col_numbers(self, header)

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Determine the column indices from the header line.

Parameters:
  • header (list of str) - The header line.
Returns: dictionary of int
The column indices.

_read_1_2_set_diff_tensor(self, spin_line, col, data_set, verbosity=1, sim_num=None)

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Set up the diffusion tensor.

Parameters:
  • spin_line (list of str) - The line of data for a single spin.
  • col (dict of int) - The column indices.
  • data_set (str) - The data set type, one of 'value', 'error', or 'sim_xxx' (where xxx is a number).
  • verbosity (int) - A variable specifying the amount of information to print. The higher the value, the greater the verbosity.
  • sim_num (int or None) - The Monte Carlo simulation index.

_set_xh_vect(self, spin_line, col, spin, spin_id1=None, spin_id2=None, verbosity=1)

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Set the unit vectors.

Parameters:
  • spin_line (list of str) - The line of data for a single spin.
  • col (dict of int) - The column indices.
  • spin (SpinContainer instance) - The spin container.
  • spin_id1 (str) - The ID string of the first spin.
  • spin_id2 (str) - The ID string of the second spin.
  • verbosity (int) - A variable specifying the amount of information to print. The higher the value, the greater the verbosity.

read_columnar_results(self, file_data, verbosity=1)

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Read the columnar formatted model-free results file.

Parameters:
  • file_data (list of lists of str) - The processed results file data.
  • verbosity (int) - A variable specifying the amount of information to print. The higher the value, the greater the verbosity.