viperleed.calc.classes.r_error.R_Error

class viperleed.calc.classes.r_error.R_Error(r_type, atoms, mode, rfacs, disp_label, lin_disp, v0i=None, energy_range=None)[source]

Data structure for storing errors after they have been calculated.

Stores the displacements that led to the R-factors even if they are modified later. Displacements are stored for one atom only, the other are linked.

__init__(r_type, atoms, mode, rfacs, disp_label, lin_disp, v0i=None, energy_range=None)[source]

Methods

`__init__`(r_type, atoms, mode, rfacs, ...[, ...])
`calc_var_r`(v0i, energy_range)	Calculates the variance of the Pendry R-factor.

Attributes

`get_error_estimates`	Decide if statistical error estimates can be given and calculates them.
`get_p_min`	Returns parameter value at minimum R-factor.
`get_r_min`	Returns minimum R-factor of error.