add_constraint_to_model: Add a constraint to a model

In jmstrat/NMR.Utils: Importing and processing Bruker NMR data

Description

This function adds a constraint to a model. Models can only have one constraint per parameter. Running this function multiple times with the same model and parameter will replace the existing constraint.

Usage

add_constraint_to_model(model, parameter, constraint_type, constraint)

Arguments

model	The model object for which the the constraint should be added
parameter	The name of the parameter for which the constraint will be added
constraint_type	The type of constraint to add, one of ("range", "vary", "variable_range") – see details
constraint	Either c(min, max) value or c(value, min, max) depending on constraint_type – see details

Value

A model object

Details

There are 3 types of constraint currently implemented:

• range: Allow the value of this parameter to vary between the 2 values given.

• vary: Allow the value of this parameter to vary by this ammount since the previous scan

• variable_range: Allow the value of this parameter to vary by this ammount since the previous scan, provided it remains within the range given.

Values of the constraint parameter are thus:

• range: c(min, max)

• vary: value

• variable_range: c(value, min, max)

Examples

add_constraint_to_model(model, "height", "range", c(0, 1))
add_constraint_to_model(model, "height", "vary", 0.5)
add_constraint_to_model(model, "height", "variable_range", c(0.5, 0, 1))

jmstrat/NMR.Utils documentation built on July 14, 2019, 11:35 p.m.