Keep in matrix only rows and columns corresponding to compounds possessing values of certain property

mdb_keep_matr_with_prop(matr, mdb, prop_to_keep)

Arguments

matr

Matrix to be changed

mdb

Molecular database

prop_to_keep

Property that should be specified in all compounds of the returned molecular database

Value

Matrix after change

Examples

data("alkans74") matr <- matrix(0, nrow=74, ncol=74) mdb_keep_matr_with_prop(matr, alkans74.mdb, "mp")
#> [,1] [,2] [,3] [,4] [,5] [,6] [,7] [,8] [,9] [,10] [,11] [,12] [,13] #> [1,] 0 0 0 0 0 0 0 0 0 0 0 0 0 #> [2,] 0 0 0 0 0 0 0 0 0 0 0 0 0 #> [3,] 0 0 0 0 0 0 0 0 0 0 0 0 0 #> [4,] 0 0 0 0 0 0 0 0 0 0 0 0 0 #> [5,] 0 0 0 0 0 0 0 0 0 0 0 0 0 #> [6,] 0 0 0 0 0 0 0 0 0 0 0 0 0 #> [7,] 0 0 0 0 0 0 0 0 0 0 0 0 0 #> [8,] 0 0 0 0 0 0 0 0 0 0 0 0 0 #> [9,] 0 0 0 0 0 0 0 0 0 0 0 0 0 #> [10,] 0 0 0 0 0 0 0 0 0 0 0 0 0 #> [11,] 0 0 0 0 0 0 0 0 0 0 0 0 0 #> [12,] 0 0 0 0 0 0 0 0 0 0 0 0 0 #> [13,] 0 0 0 0 0 0 0 0 0 0 0 0 0 #> [14,] 0 0 0 0 0 0 0 0 0 0 0 0 0 #> [15,] 0 0 0 0 0 0 0 0 0 0 0 0 0 #> [16,] 0 0 0 0 0 0 0 0 0 0 0 0 0 #> [17,] 0 0 0 0 0 0 0 0 0 0 0 0 0 #> [,14] [,15] [,16] [,17] [,18] [,19] [,20] [,21] [,22] [,23] [,24] [,25] #> [1,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [2,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [3,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [4,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [5,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [6,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [7,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [8,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [9,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [10,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [11,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [12,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [13,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [14,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [15,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [16,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [17,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [,26] [,27] [,28] [,29] [,30] [,31] [,32] [,33] [,34] [,35] [,36] [,37] #> [1,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [2,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [3,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [4,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [5,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [6,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [7,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [8,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [9,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [10,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [11,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [12,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [13,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [14,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [15,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [16,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [17,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [,38] [,39] [,40] [,41] [,42] [,43] [,44] [,45] [,46] [,47] [,48] [,49] #> [1,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [2,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [3,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [4,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [5,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [6,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [7,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [8,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [9,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [10,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [11,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [12,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [13,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [14,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [15,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [16,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [17,] 0 0 0 0 0 0 0 0 0 0 0 0 #> [,50] [,51] [,52] [,53] [,54] [,55] [,56] #> [1,] 0 0 0 0 0 0 0 #> [2,] 0 0 0 0 0 0 0 #> [3,] 0 0 0 0 0 0 0 #> [4,] 0 0 0 0 0 0 0 #> [5,] 0 0 0 0 0 0 0 #> [6,] 0 0 0 0 0 0 0 #> [7,] 0 0 0 0 0 0 0 #> [8,] 0 0 0 0 0 0 0 #> [9,] 0 0 0 0 0 0 0 #> [10,] 0 0 0 0 0 0 0 #> [11,] 0 0 0 0 0 0 0 #> [12,] 0 0 0 0 0 0 0 #> [13,] 0 0 0 0 0 0 0 #> [14,] 0 0 0 0 0 0 0 #> [15,] 0 0 0 0 0 0 0 #> [16,] 0 0 0 0 0 0 0 #> [17,] 0 0 0 0 0 0 0 #> [ reached getOption("max.print") -- omitted 39 rows ]