Package specific_analyses :: Package relax_fit :: Module parameters
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Module parameters

source code

The R1 and R2 exponential relaxation curve fitting parameter functions.

Functions [hide private]
numpy array
assemble_param_vector(spin=None, sim_index=None)
Assemble the exponential curve parameter vector (as a numpy array).
source code
numpy diagonal matrix
assemble_scaling_matrix(spin=None, scaling=True)
Create and return the scaling matrix.
source code
 
disassemble_param_vector(param_vector=None, spin=None, sim_index=None)
Disassemble the parameter vector.
source code
 
linear_constraints(spin=None, scaling_matrix=None)
Set up the relaxation curve fitting linear constraint matrices A and b.
source code
Variables [hide private]
  __package__ = 'specific_analyses.relax_fit'

Imports: array, float64, identity, zeros, search, round_to_next_order


Function Details [hide private]

assemble_param_vector(spin=None, sim_index=None)

source code 

Assemble the exponential curve parameter vector (as a numpy array).

Parameters:
  • spin (SpinContainer instance) - The spin data container.
  • sim_index (int) - The optional MC simulation index.
Returns: numpy array
An array of the parameter values of the exponential model.

assemble_scaling_matrix(spin=None, scaling=True)

source code 

Create and return the scaling matrix.

Parameters:
  • spin (SpinContainer instance) - The spin data container.
  • scaling (bool) - A flag which if false will cause the identity matrix to be returned.
Returns: numpy diagonal matrix
The diagonal and square scaling matrix.

disassemble_param_vector(param_vector=None, spin=None, sim_index=None)

source code 

Disassemble the parameter vector.

Parameters:
  • param_vector (numpy array) - The parameter vector.
  • spin (SpinContainer instance) - The spin data container.
  • sim_index (int) - The optional MC simulation index.

linear_constraints(spin=None, scaling_matrix=None)

source code 

Set up the relaxation curve fitting linear constraint matrices A and b.

Standard notation

The relaxation rate constraints are:

   Rx >= 0

The intensity constraints are:

   I0 >= 0
   Iinf >= 0

Matrix notation

In the notation A.x >= b, where A is an matrix of coefficients, x is an array of parameter values, and b is a vector of scalars, these inequality constraints are:

   | 1  0  0 |     |  Rx  |      |    0    |
   |         |     |      |      |         |
   | 1  0  0 |  .  |  I0  |  >=  |    0    |
   |         |     |      |      |         |
   | 1  0  0 |     | Iinf |      |    0    |
Parameters:
  • spin (SpinContainer instance) - The spin data container.
  • scaling_matrix (numpy diagonal matrix) - The diagonal, square scaling matrix.