1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
|
require 'fileutils'
=begin
# R setup
rlib = File.expand_path(File.join(File.dirname(__FILE__),"..","R"))
# should work on POSIX including os x
# http://stackoverflow.com/questions/19619582/number-of-processors-cores-in-command-line
NR_CORES = `getconf _NPROCESSORS_ONLN`.to_i
R = Rserve::Connection.new
R.eval ".libPaths('#{rlib}')"
R.eval "
suppressPackageStartupMessages({
library(labeling,lib=\"#{rlib}\")
library(iterators,lib=\"#{rlib}\")
library(foreach,lib=\"#{rlib}\")
library(ggplot2,lib=\"#{rlib}\")
library(grid,lib=\"#{rlib}\")
library(gridExtra,lib=\"#{rlib}\")
library(pls,lib=\"#{rlib}\")
library(caret,lib=\"#{rlib}\")
library(doMC,lib=\"#{rlib}\")
library(randomForest,lib=\"#{rlib}\")
library(plyr,lib=\"#{rlib}\")
registerDoMC(#{NR_CORES})
})
"
PUBCHEM_URI = "https://pubchem.ncbi.nlm.nih.gov/rest/pug/"
=end
[ "array.rb",
"compound.rb",
#"dataset.rb",
"similarity.rb",
"model.rb",
"statistics.rb",
].each{ |f| require_relative f }
|
