R/squareDisp.R

In snjy9182/smt-beta: Statistical analysis of single molecule trajectories

## squareDisp-methods

##-----------------------------------------------------------------------------
## squareDisp
##' @name squareDisp
##' @aliases squareDisp squareDispCpp
##' @title squareDisp
##' @rdname squareDisp-methods
##' @docType methods
##' @description 
##' calculate square displacement of a track/trajectory as a function of 
##' time/step. data.frame has two column, x and y
##' also calculate dx, dy bivariate
##' squareDispCpp is the cpp version of squareDisp
##' @usage 
##' squareDisp(track,dt=1,resolution=0.107)
##' squareDispCpp(track,dt=1,resolution=0.107)
##' @param track track dataframe with x and y coordinates.
##' @param dt time step size(in frames).
##' @param resolution resolution value, default is 0.107.
##' 
##' @return 
##' \itemize{
##' \item{list of square displacements(dx^2 + dy^2) for varying dt
##' values from 1 to dt}
##' }
##' 
##' @examples
##' folder1=system.file('extdata','SWR1',package='sojourner')
##' folder2=system.file('extdata','HTZ1',package='sojourner')
##' trackll=compareFolder(folders=c(folder1,folder2), input=3)
##' #use default filter with min=7
##' filtered.trackll=filterTrack(trackll)
##' track.dt=squareDisp(filtered.trackll[[1]][[1]],dt=6)

##' @export squareDisp
## such a basic function that has been used in msd and cdf, need to
## export add help page later TODO

## returns a list of length dt. i.e. when dt=2, it returns a list of 2
## with two item, first corresponding to dt=1, second corresponding to
## dt=2.  colnames are x,y, square.disp,dx,dy.

# it should be explicitly say that the dt is not at dt but from 1 to dt
# use to.dt or dt=1:1 or simply only calculate at dt, then use
# lapply(1:7, squareDisp) this way of confusing is because the intial
# msd caculation, that dt actually means 1:dt

# add this TODO, change it to specific dt or change its nomenclature.
# this will affect msd and displacementCDF, change accordingly.

# it is actally at dt

squareDisp = function(track, dt = 1, resolution = 0.107) {
    
    # validity check, stop if dt greater than track length
    if (dt > (dim(track)[1] - 1)) {
        stop("\ntrack length:\t", dim(track)[1], "\ndt:\t\t", dt, 
            "\nTime interval (dt) greater than track length-1\n")
    }
    
    # store dt-wise sub tracks into a list
    track.dt = list()
    for (i in seq_len(dt)) {
        
        # dt, time lags; the number of time interval used for measurement.
        # default every one step. i, indexing through dt
        
        # define start divide track into dt-wise-subtracks, store them in the
        # form of list # at each specified dt, there are N-dt number of
        # subtracks
        track.dt[[i]] = track[seq(from = i, to = dim(track)[1], by = dt), 
            ]
        
        # define lag compute square.disp in dt-wise-subtracks, stored them in
        # original data.frame. note this lag is a dplyr::lag, not base::lag,
        # which only works for time series
        
        x.disp = (track.dt[[i]]$x - dplyr::lag(track.dt[[i]]$x, n = 1)) * 
            resolution
        y.disp = (track.dt[[i]]$y - dplyr::lag(track.dt[[i]]$y, n = 1)) * 
            resolution
        
        # below is an alternative definition view displacement as displacement
        # to initial position, how far it has moved, rather than to previous
        # position
        
        # x.disp=(track.dt[[i]]$x-track.dt[[i]]$x[1])*resolution
        # y.disp=(track.dt[[i]]$y-track.dt[[i]]$y[1])*resolution
        
        square.disp = x.disp^2 + y.disp^2
        index = rownames(track.dt[[i]])
        
        # track.dt[[i]]=dplyr::mutate(track.dt[[i]],index,square.disp,
        # dx=x.disp,dy=y.disp) for performance purpose
        track.dt[[i]] = cbind(track.dt[[i]], index, square.disp, dx = x.disp, 
            dy = y.disp)
        
    }
    
    return(track.dt)
    
}


# compile track wise computations to bytecode for performance
# compiler::enableJIT(3)
# squareDisp=compiler::cmpfun(squareDisp,options=list(optimize=3))
# compiler::enableJIT(0)

# no difference when enableJIT
# #----------------------------------------------------------------------------
# # TODO: calculate displacement variance variance for each trajectory
# move small steps, or varies hugely distribution of displacement,
# tells how centralized or spread the trajectory is, is a parameter to
# measure trajectory calculate square displacement for all tracks

# R requirements: Rcpp, RcppArmadillo




##-----------------------------------------------------------------------------
## squareDispCpp

## calculate square displacement of a track/trajectory as a function of
## time/step data.frame has two column, x and y also calculate dx, dy
## bivariate

##' @export squareDispCpp

##' @importFrom Rcpp sourceCpp

squareDispCpp = function(track, dt = 1, resolution = 0.107) {
    # convert given track to matrix type
    track.out = data.matrix(track)
    
    # Compile source C++ file
    file = system.file("cpp", "squareDispRcpp.cpp", package = "sojourner")
    cpp.invisibles = Rcpp::sourceCpp(file)
    squareDispRcpp = cpp.invisibles[[1]]
    
    # run squareDispRcpp.cpp
    track.dt = squareDispRcpp(track.out, dt, resolution)
    return(track.dt)
}

# TODO: Need to rewrite make 'file' an option rather than default
# calling in the function, this can leads to unexpected errors when the
# package change name or file changes location.