R_MM_backup/OPLS_MetaboMate-class.R

In kimsche/MetaboMate: All you need for NMR-based metabolic profiling with R!

#' An S4 class to represent OPLS models
#' @author Torben Kimhofer \email{tkimhofer@@gmail.com}
# define slots for OPLS_Torben object
setClass('OPLS_MetaboMate', representation(
    type = 'character',
    t_pred = 'matrix',
    p_pred = 'matrix',
    w_pred = 'matrix',
    betas_pred = 'numeric',
    Qpc = 'matrix',
    t_cv = 'matrix',
    t_orth_cv = 'matrix',
    t_orth = 'matrix',
    p_orth = 'matrix',
    w_orth = 'matrix',
    nPC = 'numeric',
    summary = 'data.frame',
    # summaryg = 'gg',
    X_orth = 'matrix',
    Y_res = 'matrix',
    Xcenter = 'numeric',
    Xscale = 'numeric',
    Ycenter = 'numeric',
    Yscale = 'numeric',
    Yout = 'data.frame',
    Parameters = 'data.frame',
    E = 'matrix'
  )
)