get_structure_color: Get color palette for 3D structure

In HaDeX2: Analysis and Visualisation of Hydrogen/Deuterium Exchange Mass Spectrometry Data

Get color palette for 3D structure

Description

This function provides a set of color codes associated with aggregated values to be presented on 3D structure.

Usage

get_structure_color(
  aggregated_dat,
  differential = FALSE,
  fractional = TRUE,
  theoretical = FALSE,
  time_t
)

Arguments

aggregated_dat	aggregated data, either for single uptake or differential
differential	indicator if the aggregated_dat contains differential results
fractional	indicator if fractional values are used
theoretical	indicator if theoretical values are used
time_t	time point from aggregated_dat to be shown on the structure

Value

a list

Examples

# disabled due to long execution time 

diff_uptake_dat <- create_diff_uptake_dataset(alpha_dat)
diff_aggregated_dat <- create_aggregated_diff_uptake_dataset(diff_uptake_dat)
get_structure_color(diff_aggregated_dat, 
                    differential = TRUE,
                    time_t = 1)

HaDeX2 documentation built on Feb. 9, 2026, 5:07 p.m.