Returns a data frame for the specified property names

get_props(moldbase, propnames)

Arguments

moldbase

Molecular database

propnames

The list of property names. Default - the list of all property names

Value

Data frame with property values

Examples

data("alkans74") get_props(alkans74.mdb, c("bp", "mp"))
#> bp mp #> 1 -88.629997 -183.270004 #> 2 -42.070000 -187.690002 #> 3 -0.500000 -138.350006 #> 4 -11.730000 -159.600006 #> 5 36.074001 -129.720001 #> 6 27.851999 -159.899994 #> 7 9.503000 -16.549999 #> 8 68.739998 -95.349998 #> 9 60.271000 -153.669998 #> 10 63.282001 -118.000000 #> 11 49.741001 -99.870003 #> 12 57.987999 -128.539993 #> 13 98.427002 -90.610001 #> 14 90.052002 -118.279999 #> 15 91.849998 -119.400002 #> 16 93.474998 -118.599998 #> 17 79.196999 -123.809998 #> 18 89.783997 -119.099998 #> 19 80.500000 -119.239998 #> 20 86.064003 -134.460007 #> 21 80.882004 -24.910000 #> 22 125.665001 -56.790001 #> 23 117.647003 -109.040001 #> 24 118.925003 -120.500000 #> 25 117.709000 -120.949997 #> 26 118.533997 <NA> #> 27 106.839996 -121.180000 #> 28 115.607002 <NA> #> 29 109.429001 -137.500000 #> 30 109.102997 -91.199997 #> 31 111.969002 -126.099998 #> 32 117.724998 <NA> #> 33 115.650002 -114.959999 #> 34 118.259003 -90.870003 #> 35 109.841003 -112.269997 #> 36 99.237999 -107.379997 #> 37 114.760002 -100.699997 #> 38 113.467003 -109.209999 #> 39 106.470001 <NA> #> 40 150.798004 -53.520000 #> 41 143.259995 -80.400002 #> 42 144.179993 -107.599998 #> 43 142.479996 -113.199997 #> 44 143.000000 -114.900002 #> 45 141.199997 <NA> #> 46 132.690002 -113.000000 #> 47 140.500000 -116.000000 #> 48 133.500000 <NA> #> 49 136.000000 <NA> #> 50 135.210007 -102.900002 #> 51 137.300003 <NA> #> 52 140.600006 <NA> #> 53 136.000000 <NA> #> 54 135.199997 <NA> #> 55 138.000000 <NA> #> 56 133.800003 <NA> #> 57 140.600006 <NA> #> 58 140.399994 <NA> #> 59 133.600006 <NA> #> 60 126.540001 -120.000000 #> 61 124.084000 -105.779999 #> 62 137.679993 -116.800003 #> 63 139.000000 <NA> #> 64 131.339996 -127.800003 #> 65 130.647995 -113.379997 #> 66 140.460007 -101.199997 #> 67 146.167999 -33.110001 #> 68 133.830002 -99.199997 #> 69 142.000000 <NA> #> 70 136.729996 -122.199997 #> 71 140.274002 -9.900000 #> 72 133.016006 -121.089996 #> 73 122.283997 -66.540001 #> 74 141.550995 -102.120003