
;********************************************
;****           REBOL example            ****
;**** (c) 2017-2019, Alessandro Pedretti ****
;********************************************


REBOL [
  Title:   "random_tree_test"
  File:    %random_tree_test.r
  Date:    04-Apr-2019
  Version: 1.0.0
  Author:  "Alessandro Pedretti"
]

do %random_tree.r


;**** Prediction example 1 ****

random_tree/Angles: 325.0
random_tree/Atoms: 176.0
random_tree/Bonds: 185.0
random_tree/ChiralAtms: 18.0
random_tree/Dipole: 8.4205
random_tree/EzBnds: 0.0
random_tree/FG_CON2: 0
random_tree/FG_COOH: 1
random_tree/FG_COOR: 0
random_tree/FG_F: 0
random_tree/FG_PhOH: 1
random_tree/FlexTorsions: 12.0
random_tree/Gyrrad: 7.364614
random_tree/HbAcc: 26.0
random_tree/HbDon: 21.0
random_tree/HeavyAtoms: 101.0
random_tree/Lipole: 0.858332
random_tree/Mass: 1449.254
random_tree/Ovality: 2.463538
random_tree/Psa: 498.9334
random_tree/Rings: 10.0
random_tree/Sas: 1573.201
random_tree/Sav: 3197.086
random_tree/Sdiam: 20.67702
random_tree/Torsions: 94.0
random_tree/Vdiam: 13.17372
random_tree/VirtualLogP: 0.346624

print ""
print "* Example #1"
print ["  Domain violations: " random_tree/DomCheck " (must be 0)"]
print ["  Predicted class:   " random_tree/Classify " (real 0)"]


;**** Prediction example 2 ****

random_tree/Angles: 298.0
random_tree/Atoms: 152.0
random_tree/Bonds: 159.0
random_tree/ChiralAtms: 25.0
random_tree/Dipole: 7.189289
random_tree/EzBnds: 0.0
random_tree/FG_CON2: 0
random_tree/FG_COOH: 0
random_tree/FG_COOR: 0
random_tree/FG_F: 0
random_tree/FG_PhOH: 1
random_tree/FlexTorsions: 15.0
random_tree/Gyrrad: 8.992547
random_tree/HbAcc: 24.0
random_tree/HbDon: 11.0
random_tree/HeavyAtoms: 76.0
random_tree/Lipole: 0.810682
random_tree/Mass: 1085.146
random_tree/Ovality: 2.443584
random_tree/Psa: 362.2158
random_tree/Rings: 8.0
random_tree/Sas: 1451.669
random_tree/Sav: 2739.57
random_tree/Sdiam: 19.1786
random_tree/Torsions: 72.0
random_tree/Vdiam: 12.26883
random_tree/VirtualLogP: 0.76864

print ""
print "* Example #2"
print ["  Domain violations: " random_tree/DomCheck " (must be 0)"]
print ["  Predicted class:   " random_tree/Classify " (real 1)"]


halt
