toxtree 0.0.1

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Files changed (1384) hide show
  1. checksums.yaml +7 -0
  2. data/Toxtree-v2.6.13/LICENSE.txt +6 -0
  3. data/Toxtree-v2.6.13/README.txt +813 -0
  4. data/Toxtree-v2.6.13/Toxtree/Toxtree-2.6.13.jar +0 -0
  5. data/Toxtree-v2.6.13/Toxtree/example.java +41 -0
  6. data/Toxtree-v2.6.13/Toxtree/ext/toxtree-ames-2.6.13.jar +0 -0
  7. data/Toxtree-v2.6.13/Toxtree/ext/toxtree-biodegradation-2.6.13.jar +0 -0
  8. data/Toxtree-v2.6.13/Toxtree/ext/toxtree-cramer-2.6.13-tests.jar +0 -0
  9. data/Toxtree-v2.6.13/Toxtree/ext/toxtree-cramer-2.6.13.jar +0 -0
  10. data/Toxtree-v2.6.13/Toxtree/ext/toxtree-cramer2-2.6.13.jar +0 -0
  11. data/Toxtree-v2.6.13/Toxtree/ext/toxtree-dnabinding-2.6.13.jar +0 -0
  12. data/Toxtree-v2.6.13/Toxtree/ext/toxtree-eye-2.6.13.jar +0 -0
  13. data/Toxtree-v2.6.13/Toxtree/ext/toxtree-functional_groups-2.6.13.jar +0 -0
  14. data/Toxtree-v2.6.13/Toxtree/ext/toxtree-kroes-2.6.13.jar +0 -0
  15. data/Toxtree-v2.6.13/Toxtree/ext/toxtree-mic-2.6.13.jar +0 -0
  16. data/Toxtree-v2.6.13/Toxtree/ext/toxtree-michaelacceptors-2.6.13.jar +0 -0
  17. data/Toxtree-v2.6.13/Toxtree/ext/toxtree-mutant-2.6.13.jar +0 -0
  18. data/Toxtree-v2.6.13/Toxtree/ext/toxtree-proteinbinding-2.6.13.jar +0 -0
  19. data/Toxtree-v2.6.13/Toxtree/ext/toxtree-sicret-2.6.13.jar +0 -0
  20. data/Toxtree-v2.6.13/Toxtree/ext/toxtree-skinsensitisation-2.6.13.jar +0 -0
  21. data/Toxtree-v2.6.13/Toxtree/ext/toxtree-smartcyp-2.6.13.jar +0 -0
  22. data/Toxtree-v2.6.13/Toxtree/ext/toxtree-verhaar-2.6.13.jar +0 -0
  23. data/Toxtree-v2.6.13/Toxtree/ext/toxtree-verhaar2-2.6.13.jar +0 -0
  24. data/Toxtree-v2.6.13/Toxtree/input.txt +4 -0
  25. data/Toxtree-v2.6.13/Toxtree/result.txt +2 -0
  26. data/Toxtree-v2.6.13/Toxtree/toxtree-plugins.properties +24 -0
  27. data/Toxtree-v2.6.13/doc/Toxtree_BenigniBossaRulebase_manual.pdf +0 -0
  28. data/Toxtree-v2.6.13/doc/Toxtree_CramerExtensions_manual.pdf +0 -0
  29. data/Toxtree-v2.6.13/doc/Toxtree_START_manual.pdf +0 -0
  30. data/Toxtree-v2.6.13/doc/Toxtree_ToxMic_manual.pdf +0 -0
  31. data/Toxtree-v2.6.13/doc/Toxtree_installation_manual.pdf +0 -0
  32. data/Toxtree-v2.6.13/doc/Toxtree_user_manual.pdf +0 -0
  33. data/Toxtree-v2.6.13/doc/src/toxtree-2.6.13-javadoc.jar +0 -0
  34. data/Toxtree-v2.6.13/lib/javacpl.exe +0 -0
  35. data/Toxtree-v2.6.13/src/META-INF/MANIFEST.MF +6 -0
  36. data/Toxtree-v2.6.13/src/bodymol.inchi +398 -0
  37. data/Toxtree-v2.6.13/src/bodymol.sdf +34220 -0
  38. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/BiodgeradationRules.java +205 -0
  39. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/BiodgeradationRules.properties +7 -0
  40. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/categories/CategoryBiodegradable.java +62 -0
  41. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/categories/CategoryPersistent.java +63 -0
  42. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/categories/CategoryUnknown.java +55 -0
  43. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/positive_examples.sml +32 -0
  44. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleAlcohols.java +68 -0
  45. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleAldehyde.java +68 -0
  46. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleAliphaticCyclicNoBranches.java +70 -0
  47. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleAliphaticEther.java +67 -0
  48. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleAliphaticFusedRingsNonBranched.java +79 -0
  49. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleAlyphaticSulphonicAcids.java +73 -0
  50. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleAminoAcids.java +70 -0
  51. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleAromaticHalogen.java +76 -0
  52. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleAromaticNGroups.java +72 -0
  53. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleAromaticSulphonicAcid.java +70 -0
  54. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleAzoGroup.java +68 -0
  55. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleCyanoGroupOnMoreThanEightAtomsChain.java +70 -0
  56. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleEpoxide.java +68 -0
  57. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleEsters.java +67 -0
  58. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleFormaldehyde.java +67 -0
  59. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleHalogenSubstitutedBranched.java +71 -0
  60. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleKetone.java +67 -0
  61. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleMoreThanTwoHydroxyOnAromaticRing.java +133 -0
  62. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleNNitroso.java +75 -0
  63. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleNitrile.java +68 -0
  64. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleOneHalogenOnUnbranched.java +135 -0
  65. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RulePhosphateEsters.java +71 -0
  66. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RulePyridineRing.java +67 -0
  67. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleTerminalIsopropylNonCyclic.java +132 -0
  68. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleTerminalTertButyl.java +68 -0
  69. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleTertiaryAmine.java +67 -0
  70. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleTriazineRing.java +68 -0
  71. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleTrifluoromethyl.java +69 -0
  72. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleTwoHalogensOnUnbranchedNonCyclic.java +137 -0
  73. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleTwoOrMoreRings.java +99 -0
  74. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleTwoTerminalDiaminoGroupsOnNonCyclic.java +132 -0
  75. data/Toxtree-v2.6.13/src/com/molecularnetworks/start/rules/RuleTwoTerminalDoubleBondsOnUnbranched.java +132 -0
  76. data/Toxtree-v2.6.13/src/cramer2/CramerRulesWithExtensions.java +283 -0
  77. data/Toxtree-v2.6.13/src/cramer2/CramerRulesWithExtensions.properties +10 -0
  78. data/Toxtree-v2.6.13/src/cramer2/MANIFEST.plugin +10 -0
  79. data/Toxtree-v2.6.13/src/cramer2/categories/CramerClass1.java +51 -0
  80. data/Toxtree-v2.6.13/src/cramer2/categories/CramerClass2.java +55 -0
  81. data/Toxtree-v2.6.13/src/cramer2/categories/CramerClass3.java +53 -0
  82. data/Toxtree-v2.6.13/src/cramer2/categories/CramerTreeResult.java +80 -0
  83. data/Toxtree-v2.6.13/src/cramer2/package.html +17 -0
  84. data/Toxtree-v2.6.13/src/cramer2/rules/RuleBenzeneAnalogues.java +58 -0
  85. data/Toxtree-v2.6.13/src/cramer2/rules/RuleDivalentSulphur.java +57 -0
  86. data/Toxtree-v2.6.13/src/cramer2/rules/RuleFreeABUnsaturatedHetero.java +52 -0
  87. data/Toxtree-v2.6.13/src/cramer2/rules/RuleHasOnlySaltSulphonateSulphate.java +279 -0
  88. data/Toxtree-v2.6.13/src/cramer2/rules/RuleNormalBodyConstituent.java +75 -0
  89. data/Toxtree-v2.6.13/src/cramer2/rules/RuleReadilyHydrolysedPO4.java +106 -0
  90. data/Toxtree-v2.6.13/src/cramer2/rules/RuleUnchargedOrganophosphates.java +53 -0
  91. data/Toxtree-v2.6.13/src/cramer2/rules/RuleUnchargedOrganophosphates_wrong.txt +207 -0
  92. data/Toxtree-v2.6.13/src/eye/EyeIrritationRules.java +356 -0
  93. data/Toxtree-v2.6.13/src/eye/EyeIrritationRules.properties +7 -0
  94. data/Toxtree-v2.6.13/src/eye/MANIFEST.plugin +11 -0
  95. data/Toxtree-v2.6.13/src/eye/categories/CategoryCorrosiveEye.java +45 -0
  96. data/Toxtree-v2.6.13/src/eye/categories/CategoryCorrosiveSkin.java +42 -0
  97. data/Toxtree-v2.6.13/src/eye/categories/CategoryModerateIrritation2Eye.java +42 -0
  98. data/Toxtree-v2.6.13/src/eye/categories/CategoryNotCorrosive2Eye.java +46 -0
  99. data/Toxtree-v2.6.13/src/eye/categories/CategoryNotCorrosive2Skin.java +46 -0
  100. data/Toxtree-v2.6.13/src/eye/categories/CategoryNotCorrosive2SkinAndIrritating2Eye.java +42 -0
  101. data/Toxtree-v2.6.13/src/eye/categories/CategoryNotCorrosive2SkinEye.java +45 -0
  102. data/Toxtree-v2.6.13/src/eye/categories/CategoryNotCorrosive2SkinOrIrritating2Eye.java +42 -0
  103. data/Toxtree-v2.6.13/src/eye/categories/CategoryNotIrritating2Eye.java +50 -0
  104. data/Toxtree-v2.6.13/src/eye/categories/CategoryNotIrritatingOrCorrosive2Eye.java +49 -0
  105. data/Toxtree-v2.6.13/src/eye/categories/CategoryUnknown.java +61 -0
  106. data/Toxtree-v2.6.13/src/eye/categories/package.html +77 -0
  107. data/Toxtree-v2.6.13/src/eye/package.html +17 -0
  108. data/Toxtree-v2.6.13/src/eye/rules/Rule1.java +41 -0
  109. data/Toxtree-v2.6.13/src/eye/rules/Rule13_AliphaticMonoalcohols.java +158 -0
  110. data/Toxtree-v2.6.13/src/eye/rules/Rule14Aliphatic_glycerol_monoethers.java +52 -0
  111. data/Toxtree-v2.6.13/src/eye/rules/Rule15.java +61 -0
  112. data/Toxtree-v2.6.13/src/eye/rules/Rule16.java +69 -0
  113. data/Toxtree-v2.6.13/src/eye/rules/Rule17.java +55 -0
  114. data/Toxtree-v2.6.13/src/eye/rules/Rule18.java +54 -0
  115. data/Toxtree-v2.6.13/src/eye/rules/Rule19.java +59 -0
  116. data/Toxtree-v2.6.13/src/eye/rules/Rule20.java +53 -0
  117. data/Toxtree-v2.6.13/src/eye/rules/Rule21.java +56 -0
  118. data/Toxtree-v2.6.13/src/eye/rules/Rule22.java +57 -0
  119. data/Toxtree-v2.6.13/src/eye/rules/Rule23.java +61 -0
  120. data/Toxtree-v2.6.13/src/eye/rules/Rule24.java +128 -0
  121. data/Toxtree-v2.6.13/src/eye/rules/Rule25.java +52 -0
  122. data/Toxtree-v2.6.13/src/eye/rules/Rule26.java +57 -0
  123. data/Toxtree-v2.6.13/src/eye/rules/Rule27.java +52 -0
  124. data/Toxtree-v2.6.13/src/eye/rules/Rule28.java +53 -0
  125. data/Toxtree-v2.6.13/src/eye/rules/Rule29.java +52 -0
  126. data/Toxtree-v2.6.13/src/eye/rules/Rule30.java +60 -0
  127. data/Toxtree-v2.6.13/src/eye/rules/Rule31.java +57 -0
  128. data/Toxtree-v2.6.13/src/eye/rules/Rule32.java +56 -0
  129. data/Toxtree-v2.6.13/src/eye/rules/Rule33.java +84 -0
  130. data/Toxtree-v2.6.13/src/eye/rules/Rule34.java +58 -0
  131. data/Toxtree-v2.6.13/src/eye/rules/Rule35.java +61 -0
  132. data/Toxtree-v2.6.13/src/eye/rules/Rule36.java +56 -0
  133. data/Toxtree-v2.6.13/src/eye/rules/Rule37.java +56 -0
  134. data/Toxtree-v2.6.13/src/eye/rules/Rule38.java +156 -0
  135. data/Toxtree-v2.6.13/src/eye/rules/Rule39.java +60 -0
  136. data/Toxtree-v2.6.13/src/eye/rules/RuleAqueousSolubility.java +48 -0
  137. data/Toxtree-v2.6.13/src/eye/rules/RuleAqueousSolubility1.java +47 -0
  138. data/Toxtree-v2.6.13/src/eye/rules/RuleAqueousSolubility_10_2.java +67 -0
  139. data/Toxtree-v2.6.13/src/eye/rules/RuleAqueousSolubility_10_5.java +51 -0
  140. data/Toxtree-v2.6.13/src/eye/rules/RuleAqueousSolubility_11_7.java +49 -0
  141. data/Toxtree-v2.6.13/src/eye/rules/RuleAqueousSolubility_8_3.java +50 -0
  142. data/Toxtree-v2.6.13/src/eye/rules/RuleAqueousSolubility_8_4.java +48 -0
  143. data/Toxtree-v2.6.13/src/eye/rules/RuleAqueousSolubility_9_3.java +51 -0
  144. data/Toxtree-v2.6.13/src/eye/rules/RuleHasOnlyC_H_O.java +36 -0
  145. data/Toxtree-v2.6.13/src/eye/rules/RuleHasOnlyC_H_O_Halogen.java +44 -0
  146. data/Toxtree-v2.6.13/src/eye/rules/RuleHasOnlyC_H_O_N.java +45 -0
  147. data/Toxtree-v2.6.13/src/eye/rules/RuleHasOnlyC_H_O_N_Halogen.java +40 -0
  148. data/Toxtree-v2.6.13/src/eye/rules/RuleHasOnlyC_H_O_N_S.java +51 -0
  149. data/Toxtree-v2.6.13/src/eye/rules/RuleLipidSolubility.java +47 -0
  150. data/Toxtree-v2.6.13/src/eye/rules/RuleLipidSolubility_10_4.java +50 -0
  151. data/Toxtree-v2.6.13/src/eye/rules/RuleLipidSolubility_9_1.java +50 -0
  152. data/Toxtree-v2.6.13/src/eye/rules/RuleLogP.java +52 -0
  153. data/Toxtree-v2.6.13/src/eye/rules/RuleLogP1.java +49 -0
  154. data/Toxtree-v2.6.13/src/eye/rules/RuleLogP_10_1.java +48 -0
  155. data/Toxtree-v2.6.13/src/eye/rules/RuleLogP_11_4.java +43 -0
  156. data/Toxtree-v2.6.13/src/eye/rules/RuleLogP_11_5.java +47 -0
  157. data/Toxtree-v2.6.13/src/eye/rules/RuleLogP_11_6.java +45 -0
  158. data/Toxtree-v2.6.13/src/eye/rules/RuleLogP_12_4.java +41 -0
  159. data/Toxtree-v2.6.13/src/eye/rules/RuleLogP_9_4.java +47 -0
  160. data/Toxtree-v2.6.13/src/eye/rules/RuleMeltingPoint_11_2.java +44 -0
  161. data/Toxtree-v2.6.13/src/eye/rules/RuleMeltingPoint_12_3.java +48 -0
  162. data/Toxtree-v2.6.13/src/eye/rules/RuleMeltingPoint_8_1.java +49 -0
  163. data/Toxtree-v2.6.13/src/eye/rules/RuleMelting_Point_11_3.java +45 -0
  164. data/Toxtree-v2.6.13/src/eye/rules/RuleMolWeight.java +53 -0
  165. data/Toxtree-v2.6.13/src/eye/rules/RuleMolWeight_10_3.java +46 -0
  166. data/Toxtree-v2.6.13/src/eye/rules/RuleMolWeight_11_1.java +45 -0
  167. data/Toxtree-v2.6.13/src/eye/rules/RuleMolWeight_12_2.java +65 -0
  168. data/Toxtree-v2.6.13/src/eye/rules/RuleMolWeight_8_2.java +46 -0
  169. data/Toxtree-v2.6.13/src/eye/rules/RuleMolWeight_9_2.java +54 -0
  170. data/Toxtree-v2.6.13/src/eye/rules/RuleMolweight_12_1.java +49 -0
  171. data/Toxtree-v2.6.13/src/eye/rules/package.html +15 -0
  172. data/Toxtree-v2.6.13/src/foodmol.inchi +104 -0
  173. data/Toxtree-v2.6.13/src/foodmol.sdf +6200 -0
  174. data/Toxtree-v2.6.13/src/kroes/KroesFig1Q1.sdf +110 -0
  175. data/Toxtree-v2.6.13/src/mic/MICRules.java +260 -0
  176. data/Toxtree-v2.6.13/src/mic/MICRules.properties +5 -0
  177. data/Toxtree-v2.6.13/src/mic/categories/micronucleusClass1.java +53 -0
  178. data/Toxtree-v2.6.13/src/mic/categories/micronucleusClass2.java +53 -0
  179. data/Toxtree-v2.6.13/src/mic/rules/MICTreeResult.java +158 -0
  180. data/Toxtree-v2.6.13/src/mic/rules/PB29.java +67 -0
  181. data/Toxtree-v2.6.13/src/mic/rules/PB30.java +68 -0
  182. data/Toxtree-v2.6.13/src/mic/rules/RuleAlertsForMIC.java +47 -0
  183. data/Toxtree-v2.6.13/src/mic/rules/SA1.java +59 -0
  184. data/Toxtree-v2.6.13/src/mic/rules/SA10.java +128 -0
  185. data/Toxtree-v2.6.13/src/mic/rules/SA11.java +76 -0
  186. data/Toxtree-v2.6.13/src/mic/rules/SA12.java +71 -0
  187. data/Toxtree-v2.6.13/src/mic/rules/SA13.java +70 -0
  188. data/Toxtree-v2.6.13/src/mic/rules/SA14.java +64 -0
  189. data/Toxtree-v2.6.13/src/mic/rules/SA15.java +59 -0
  190. data/Toxtree-v2.6.13/src/mic/rules/SA16.java +61 -0
  191. data/Toxtree-v2.6.13/src/mic/rules/SA18.java +211 -0
  192. data/Toxtree-v2.6.13/src/mic/rules/SA19.java +87 -0
  193. data/Toxtree-v2.6.13/src/mic/rules/SA2.java +184 -0
  194. data/Toxtree-v2.6.13/src/mic/rules/SA21.java +66 -0
  195. data/Toxtree-v2.6.13/src/mic/rules/SA22.java +70 -0
  196. data/Toxtree-v2.6.13/src/mic/rules/SA23.java +67 -0
  197. data/Toxtree-v2.6.13/src/mic/rules/SA24.java +65 -0
  198. data/Toxtree-v2.6.13/src/mic/rules/SA25.java +110 -0
  199. data/Toxtree-v2.6.13/src/mic/rules/SA26.java +93 -0
  200. data/Toxtree-v2.6.13/src/mic/rules/SA27.java +146 -0
  201. data/Toxtree-v2.6.13/src/mic/rules/SA28.java +204 -0
  202. data/Toxtree-v2.6.13/src/mic/rules/SA28bis.java +108 -0
  203. data/Toxtree-v2.6.13/src/mic/rules/SA28ter.java +94 -0
  204. data/Toxtree-v2.6.13/src/mic/rules/SA29.java +83 -0
  205. data/Toxtree-v2.6.13/src/mic/rules/SA3.java +65 -0
  206. data/Toxtree-v2.6.13/src/mic/rules/SA30.java +63 -0
  207. data/Toxtree-v2.6.13/src/mic/rules/SA32.java +67 -0
  208. data/Toxtree-v2.6.13/src/mic/rules/SA33.java +67 -0
  209. data/Toxtree-v2.6.13/src/mic/rules/SA34.java +76 -0
  210. data/Toxtree-v2.6.13/src/mic/rules/SA35.java +67 -0
  211. data/Toxtree-v2.6.13/src/mic/rules/SA36.java +68 -0
  212. data/Toxtree-v2.6.13/src/mic/rules/SA4.java +68 -0
  213. data/Toxtree-v2.6.13/src/mic/rules/SA5.java +61 -0
  214. data/Toxtree-v2.6.13/src/mic/rules/SA6.java +64 -0
  215. data/Toxtree-v2.6.13/src/mic/rules/SA7.java +60 -0
  216. data/Toxtree-v2.6.13/src/mic/rules/SA8.java +128 -0
  217. data/Toxtree-v2.6.13/src/mic/rules/SA9.java +60 -0
  218. data/Toxtree-v2.6.13/src/michaelacceptors/MATreeResult.java +34 -0
  219. data/Toxtree-v2.6.13/src/michaelacceptors/MichaelAcceptorRules.java +186 -0
  220. data/Toxtree-v2.6.13/src/michaelacceptors/MichaelAcceptorRules.properties +6 -0
  221. data/Toxtree-v2.6.13/src/michaelacceptors/categories/CategoryMichaelAcceptor.java +43 -0
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  869. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG15.java +51 -0
  870. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG16.java +55 -0
  871. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG17.java +59 -0
  872. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG18.java +59 -0
  873. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG19.java +60 -0
  874. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG2.java +53 -0
  875. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG20.java +51 -0
  876. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG21.java +59 -0
  877. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG22.java +58 -0
  878. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG23_1.java +59 -0
  879. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG23_2.java +58 -0
  880. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG23_3.java +59 -0
  881. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG23_4.java +58 -0
  882. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG23_5.java +58 -0
  883. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG23_6.java +58 -0
  884. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG23_7.java +59 -0
  885. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG23_8.java +59 -0
  886. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG23_LS.java +59 -0
  887. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG24_1.java +59 -0
  888. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG24_2.java +58 -0
  889. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG24_3.java +58 -0
  890. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG24_LS.java +59 -0
  891. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG25.java +59 -0
  892. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG26.java +59 -0
  893. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG27.java +59 -0
  894. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG28.java +59 -0
  895. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG29.java +59 -0
  896. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG30.java +59 -0
  897. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG31_1.java +59 -0
  898. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG31_2.java +58 -0
  899. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG31_3.java +59 -0
  900. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG31_4.java +58 -0
  901. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG31_5.java +58 -0
  902. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG31_6.java +58 -0
  903. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG31_7.java +59 -0
  904. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG31_8.java +59 -0
  905. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG31_9.java +59 -0
  906. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG31_LS.java +59 -0
  907. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG32.java +59 -0
  908. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG33_1.java +59 -0
  909. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG33_2.java +58 -0
  910. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG33_3.java +59 -0
  911. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG33_4.java +58 -0
  912. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG33_5.java +58 -0
  913. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG33_6.java +58 -0
  914. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG33_7.java +59 -0
  915. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG33_8.java +59 -0
  916. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG33_LS.java +59 -0
  917. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG34_1.java +59 -0
  918. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG34_2.java +58 -0
  919. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG34_LS.java +59 -0
  920. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_1.java +59 -0
  921. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_10.java +59 -0
  922. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_11.java +59 -0
  923. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_12.java +59 -0
  924. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_13.java +59 -0
  925. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_2.java +59 -0
  926. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_3.java +59 -0
  927. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_4.java +59 -0
  928. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_5.java +59 -0
  929. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_6.java +59 -0
  930. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_7.java +59 -0
  931. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_8.java +59 -0
  932. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_9.java +59 -0
  933. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG35_LS.java +59 -0
  934. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG36.java +59 -0
  935. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG37_1.java +59 -0
  936. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG37_2.java +59 -0
  937. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG37_3.java +59 -0
  938. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG37_4.java +59 -0
  939. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG37_LS.java +59 -0
  940. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG38.java +59 -0
  941. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG39.java +59 -0
  942. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG3_1.java +58 -0
  943. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG3_2.java +58 -0
  944. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG3_LS.java +58 -0
  945. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG4.java +60 -0
  946. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG40.java +59 -0
  947. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG41_1.java +59 -0
  948. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG41_2.java +59 -0
  949. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG41_3.java +59 -0
  950. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG41_4.java +59 -0
  951. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG41_5.java +59 -0
  952. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG41_LS.java +59 -0
  953. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG42.java +59 -0
  954. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG43.java +59 -0
  955. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG44.java +59 -0
  956. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG45.java +59 -0
  957. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG46_1.java +59 -0
  958. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG46_2.java +59 -0
  959. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG46_LS.java +59 -0
  960. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG47.java +59 -0
  961. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG48_1.java +59 -0
  962. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG48_2.java +59 -0
  963. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG48_LS.java +59 -0
  964. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG49.java +59 -0
  965. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG4_1.java +58 -0
  966. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG4_2.java +58 -0
  967. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG4_LS.java +59 -0
  968. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG5.java +58 -0
  969. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG50_1.java +59 -0
  970. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG50_2.java +59 -0
  971. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG50_3.java +59 -0
  972. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG50_LS.java +59 -0
  973. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG51_1.java +59 -0
  974. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG51_2.java +59 -0
  975. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG51_3.java +59 -0
  976. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG51_LS.java +59 -0
  977. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG52_1.java +59 -0
  978. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG52_2.java +59 -0
  979. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG52_3.java +59 -0
  980. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG52_LS.java +59 -0
  981. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG53_1.java +59 -0
  982. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG53_2.java +59 -0
  983. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG53_3.java +59 -0
  984. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG53_LS.java +59 -0
  985. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG54.java +59 -0
  986. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG55.java +59 -0
  987. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG56.java +59 -0
  988. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG57.java +59 -0
  989. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG58.java +59 -0
  990. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG59.java +59 -0
  991. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG6.java +59 -0
  992. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG60.java +59 -0
  993. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG61.java +59 -0
  994. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG62.java +59 -0
  995. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG63.java +59 -0
  996. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG64.java +59 -0
  997. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG65.java +59 -0
  998. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG66.java +59 -0
  999. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG67.java +59 -0
  1000. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG68.java +59 -0
  1001. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG69.java +59 -0
  1002. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG7.java +51 -0
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  1004. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG71.java +59 -0
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  1006. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG73.java +59 -0
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  1033. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG80_1.java +59 -0
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  1036. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG81_1.java +59 -0
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  1051. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG84_1.java +59 -0
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  1059. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG9.java +59 -0
  1060. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FG90.java +59 -0
  1061. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/FuncTreeResult.java +154 -0
  1062. data/Toxtree-v2.6.13/src/toxtree/plugins/func/rules/RuleAlertsForFunc.java +47 -0
  1063. data/Toxtree-v2.6.13/src/toxtree/plugins/kroes/Kroes1Tree.java +151 -0
  1064. data/Toxtree-v2.6.13/src/toxtree/plugins/kroes/Kroes1Tree.properties +5 -0
  1065. data/Toxtree-v2.6.13/src/toxtree/plugins/kroes/categories/NegligibleRisk.java +18 -0
  1066. data/Toxtree-v2.6.13/src/toxtree/plugins/kroes/categories/NotASafetyConcern.java +27 -0
  1067. data/Toxtree-v2.6.13/src/toxtree/plugins/kroes/categories/RequireCompoundSpecificToxicityData.java +25 -0
  1068. data/Toxtree-v2.6.13/src/toxtree/plugins/kroes/rules/KroesRule10.java +25 -0
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  1263. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/EditCategoryAction.java +80 -0
  1264. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/EditDecisionMethodAction.java +97 -0
  1265. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/EditRuleAction.java +90 -0
  1266. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/EditTreeExplanation.java +149 -0
  1267. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/ICategoryAction.java +31 -0
  1268. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/INodeAction.java +36 -0
  1269. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/IRuleAction.java +31 -0
  1270. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/ITreeAction.java +32 -0
  1271. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/LiadMethodsListAction.java +101 -0
  1272. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/LoadAndEditTreeAction.java +121 -0
  1273. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/LoadTreeAction.java +154 -0
  1274. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/NewRuleAction.java +184 -0
  1275. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/NewTreeAction.java +89 -0
  1276. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/SaveMethodsListAction.java +118 -0
  1277. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/SaveTreeAction.java +168 -0
  1278. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/SelectAndEditTreeAction.java +116 -0
  1279. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/SelectCategoryFromListAction.java +88 -0
  1280. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/SelectNewTreeAction.java +80 -0
  1281. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/SelectTreeAction.java +88 -0
  1282. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/SetBranchAction.java +175 -0
  1283. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/SubstructureFromListAction.java +99 -0
  1284. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/SubstructuresFromFileAction.java +113 -0
  1285. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/TreeOptionsAction.java +74 -0
  1286. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/VerifyUnreachableRulesAction.java +101 -0
  1287. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/VerifyUnusedCategories.java +78 -0
  1288. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/ViewTreeAction.java +86 -0
  1289. data/Toxtree-v2.6.13/src/toxtree/ui/tree/actions/package.html +16 -0
  1290. data/Toxtree-v2.6.13/src/toxtree/ui/tree/categories/CategoriesPanel.java +154 -0
  1291. data/Toxtree-v2.6.13/src/toxtree/ui/tree/categories/CategoriesTableModel.java +132 -0
  1292. data/Toxtree-v2.6.13/src/toxtree/ui/tree/categories/CategoryPanel.java +130 -0
  1293. data/Toxtree-v2.6.13/src/toxtree/ui/tree/categories/package.html +15 -0
  1294. data/Toxtree-v2.6.13/src/toxtree/ui/tree/molecule/CompoundPanel.java +215 -0
  1295. data/Toxtree-v2.6.13/src/toxtree/ui/tree/package.html +15 -0
  1296. data/Toxtree-v2.6.13/src/toxtree/ui/tree/qsar/DescriptorOptions.java +106 -0
  1297. data/Toxtree-v2.6.13/src/toxtree/ui/tree/qsar/OptionsPanel.java +181 -0
  1298. data/Toxtree-v2.6.13/src/toxtree/ui/tree/qsar/QSARModelEditor.java +140 -0
  1299. data/Toxtree-v2.6.13/src/toxtree/ui/tree/qsar/RuleQSARModelEditor.java +49 -0
  1300. data/Toxtree-v2.6.13/src/toxtree/ui/tree/rules/DecisionNodesListTableModel.java +80 -0
  1301. data/Toxtree-v2.6.13/src/toxtree/ui/tree/rules/RuleDeleteSubstructureAction.java +67 -0
  1302. data/Toxtree-v2.6.13/src/toxtree/ui/tree/rules/RuleEditor.java +114 -0
  1303. data/Toxtree-v2.6.13/src/toxtree/ui/tree/rules/RuleExampleEditAction.java +124 -0
  1304. data/Toxtree-v2.6.13/src/toxtree/ui/tree/rules/RuleMoleculeEditAction.java +84 -0
  1305. data/Toxtree-v2.6.13/src/toxtree/ui/tree/rules/RulePanel.java +284 -0
  1306. data/Toxtree-v2.6.13/src/toxtree/ui/tree/rules/RulePropertyEditor.java +127 -0
  1307. data/Toxtree-v2.6.13/src/toxtree/ui/tree/rules/RuleRangeEditor.java +138 -0
  1308. data/Toxtree-v2.6.13/src/toxtree/ui/tree/rules/RuleStructuresPanel.java +122 -0
  1309. data/Toxtree-v2.6.13/src/toxtree/ui/tree/rules/RuleSubstructuresEditAction.java +131 -0
  1310. data/Toxtree-v2.6.13/src/toxtree/ui/tree/rules/SMARTSRuleEditor.java +272 -0
  1311. data/Toxtree-v2.6.13/src/toxtree/ui/tree/rules/SmartsPanelEditor.java +367 -0
  1312. data/Toxtree-v2.6.13/src/toxtree/ui/tree/rules/SubstructureRulePanel.java +206 -0
  1313. data/Toxtree-v2.6.13/src/toxtree/ui/wizard/DecisionNodeWizard.java +531 -0
  1314. data/Toxtree-v2.6.13/src/toxtree/ui/wizard/DecisionTreeWizard.java +49 -0
  1315. data/Toxtree-v2.6.13/src/toxtree/ui/wizard/EditorPanel.java +65 -0
  1316. data/Toxtree-v2.6.13/src/toxtree/ui/wizard/ListPanelDescriptor.java +39 -0
  1317. data/Toxtree-v2.6.13/src/toxtree/ui/wizard/RadioBoxPanel.java +131 -0
  1318. data/Toxtree-v2.6.13/src/toxtree/ui/wizard/ToxTreeWizardPanelDescriptor.java +113 -0
  1319. data/Toxtree-v2.6.13/src/toxtree/ui/wizard/WizardWrapper.java +63 -0
  1320. data/Toxtree-v2.6.13/src/toxtree/ui/wizard/package.html +19 -0
  1321. data/Toxtree-v2.6.13/src/verhaar/VerhaarScheme.java +260 -0
  1322. data/Toxtree-v2.6.13/src/verhaar/VerhaarScheme.properties +7 -0
  1323. data/Toxtree-v2.6.13/src/verhaar/categories/Class1BaselineToxicity.java +42 -0
  1324. data/Toxtree-v2.6.13/src/verhaar/categories/Class2LessInertCompounds.java +42 -0
  1325. data/Toxtree-v2.6.13/src/verhaar/categories/Class3UnspecificReactivity.java +55 -0
  1326. data/Toxtree-v2.6.13/src/verhaar/categories/Class4SpecificMechanism.java +67 -0
  1327. data/Toxtree-v2.6.13/src/verhaar/categories/Class5Unknown.java +66 -0
  1328. data/Toxtree-v2.6.13/src/verhaar/categories/package.html +16 -0
  1329. data/Toxtree-v2.6.13/src/verhaar/package.html +20 -0
  1330. data/Toxtree-v2.6.13/src/verhaar/query/AromaticQueryBond.java +63 -0
  1331. data/Toxtree-v2.6.13/src/verhaar/query/FunctionalGroups.java +429 -0
  1332. data/Toxtree-v2.6.13/src/verhaar/query/OrderQueryBondAromatic.java +53 -0
  1333. data/Toxtree-v2.6.13/src/verhaar/query/QueryAssociationBond.java +88 -0
  1334. data/Toxtree-v2.6.13/src/verhaar/query/QueryUnsaturatedBond.java +100 -0
  1335. data/Toxtree-v2.6.13/src/verhaar/rules/Rule01.java +58 -0
  1336. data/Toxtree-v2.6.13/src/verhaar/rules/Rule03.java +80 -0
  1337. data/Toxtree-v2.6.13/src/verhaar/rules/Rule11.java +66 -0
  1338. data/Toxtree-v2.6.13/src/verhaar/rules/Rule13.java +52 -0
  1339. data/Toxtree-v2.6.13/src/verhaar/rules/Rule14.java +56 -0
  1340. data/Toxtree-v2.6.13/src/verhaar/rules/Rule141.java +85 -0
  1341. data/Toxtree-v2.6.13/src/verhaar/rules/Rule142.java +96 -0
  1342. data/Toxtree-v2.6.13/src/verhaar/rules/Rule143.java +123 -0
  1343. data/Toxtree-v2.6.13/src/verhaar/rules/Rule144.java +80 -0
  1344. data/Toxtree-v2.6.13/src/verhaar/rules/Rule15.java +53 -0
  1345. data/Toxtree-v2.6.13/src/verhaar/rules/Rule151.java +66 -0
  1346. data/Toxtree-v2.6.13/src/verhaar/rules/Rule152.java +109 -0
  1347. data/Toxtree-v2.6.13/src/verhaar/rules/Rule153.java +74 -0
  1348. data/Toxtree-v2.6.13/src/verhaar/rules/Rule154.java +66 -0
  1349. data/Toxtree-v2.6.13/src/verhaar/rules/Rule16.java +53 -0
  1350. data/Toxtree-v2.6.13/src/verhaar/rules/Rule161.java +75 -0
  1351. data/Toxtree-v2.6.13/src/verhaar/rules/Rule17.java +57 -0
  1352. data/Toxtree-v2.6.13/src/verhaar/rules/Rule171.java +77 -0
  1353. data/Toxtree-v2.6.13/src/verhaar/rules/Rule21.java +211 -0
  1354. data/Toxtree-v2.6.13/src/verhaar/rules/Rule22.java +56 -0
  1355. data/Toxtree-v2.6.13/src/verhaar/rules/Rule23.java +78 -0
  1356. data/Toxtree-v2.6.13/src/verhaar/rules/Rule24.java +95 -0
  1357. data/Toxtree-v2.6.13/src/verhaar/rules/Rule25.java +63 -0
  1358. data/Toxtree-v2.6.13/src/verhaar/rules/Rule31.java +82 -0
  1359. data/Toxtree-v2.6.13/src/verhaar/rules/Rule32.java +77 -0
  1360. data/Toxtree-v2.6.13/src/verhaar/rules/Rule33.java +71 -0
  1361. data/Toxtree-v2.6.13/src/verhaar/rules/Rule34.java +69 -0
  1362. data/Toxtree-v2.6.13/src/verhaar/rules/Rule35.java +69 -0
  1363. data/Toxtree-v2.6.13/src/verhaar/rules/Rule36.java +73 -0
  1364. data/Toxtree-v2.6.13/src/verhaar/rules/Rule37.java +72 -0
  1365. data/Toxtree-v2.6.13/src/verhaar/rules/Rule38.java +121 -0
  1366. data/Toxtree-v2.6.13/src/verhaar/rules/Rule4.java +97 -0
  1367. data/Toxtree-v2.6.13/src/verhaar/rules/RuleAlertsClass1.java +47 -0
  1368. data/Toxtree-v2.6.13/src/verhaar/rules/RuleAlertsClass2.java +47 -0
  1369. data/Toxtree-v2.6.13/src/verhaar/rules/RuleAlertsClass3.java +47 -0
  1370. data/Toxtree-v2.6.13/src/verhaar/rules/RuleIonicGroups.java +84 -0
  1371. data/Toxtree-v2.6.13/src/verhaar/rules/RuleLogPRange.java +96 -0
  1372. data/Toxtree-v2.6.13/src/verhaar/rules/RuleRingMainStrucSubstituents.java +38 -0
  1373. data/Toxtree-v2.6.13/src/verhaar/rules/RuleVerifyClass1Alerts.java +16 -0
  1374. data/Toxtree-v2.6.13/src/verhaar/rules/RuleVerifyClass2Alerts.java +16 -0
  1375. data/Toxtree-v2.6.13/src/verhaar/rules/RuleVerifyClass3Alerts.java +17 -0
  1376. data/Toxtree-v2.6.13/src/verhaar/rules/VerhaarTreeResult.java +57 -0
  1377. data/Toxtree-v2.6.13/src/verhaar/rules/helper/RuleAnySubstructureCounter.java +45 -0
  1378. data/Toxtree-v2.6.13/src/verhaar/rules/helper/RuleElementsCounter.java +44 -0
  1379. data/Toxtree-v2.6.13/src/verhaar/rules/helper/RuleOnlyAllowedSubstructuresCounter.java +44 -0
  1380. data/Toxtree-v2.6.13/src/verhaar/rules/package.html +15 -0
  1381. data/ext/toxtree/extconf.rb +21 -0
  1382. data/lib/toxtree.rb +91 -0
  1383. data/test/toxtree.rb +26 -0
  1384. metadata +1427 -0
@@ -0,0 +1,35 @@
1
+ /*
2
+ Copyright (C) 2005-2006
3
+
4
+ Contact: nina@acad.bg
5
+
6
+ This program is free software; you can redistribute it and/or
7
+ modify it under the terms of the GNU Lesser General Public License
8
+ as published by the Free Software Foundation; either version 2.1
9
+ of the License, or (at your option) any later version.
10
+ All we ask is that proper credit is given for our work, which includes
11
+ - but is not limited to - adding the above copyright notice to the beginning
12
+ of your source code files, and to any copyright notice that you may distribute
13
+ with programs based on this work.
14
+
15
+ This program is distributed in the hope that it will be useful,
16
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
17
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18
+ GNU Lesser General Public License for more details.
19
+
20
+ You should have received a copy of the GNU Lesser General Public License
21
+ along with this program; if not, write to the Free Software
22
+ Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA
23
+ */
24
+
25
+ package toxTree.core;
26
+
27
+ import toxTree.exceptions.DecisionMethodIOException;
28
+
29
+ public interface IProcessRule {
30
+ void init(IDecisionMethod method) throws DecisionMethodIOException;
31
+ void done() throws DecisionMethodIOException;
32
+ Object process(IDecisionMethod method, IDecisionRule rule) throws DecisionMethodIOException;
33
+ }
34
+
35
+
@@ -0,0 +1,36 @@
1
+ /*
2
+ Copyright Ideaconsult Ltd. (C) 2005-2007
3
+
4
+ Contact: nina@acad.bg
5
+
6
+ This program is free software; you can redistribute it and/or
7
+ modify it under the terms of the GNU General Public License
8
+ as published by the Free Software Foundation; either version 2
9
+ of the License, or (at your option) any later version.
10
+ All we ask is that proper credit is given for our work, which includes
11
+ - but is not limited to - adding the above copyright notice to the beginning
12
+ of your source code files, and to any copyright notice that you may distribute
13
+ with programs based on this work.
14
+
15
+ This program is distributed in the hope that it will be useful,
16
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
17
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18
+ GNU General Public License for more details.
19
+
20
+ You should have received a copy of the GNU General Public License
21
+ along with this program; if not, write to the Free Software
22
+ Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
23
+
24
+ */
25
+ package toxTree.core;
26
+
27
+ public interface IProgressStatus {
28
+ boolean isEstimated();
29
+ boolean isEstimating();
30
+ boolean isError();
31
+ void setEstimated(boolean value);
32
+ void setPercentEstimated(int percent);
33
+ void setEstimated();
34
+ void setEstimating();
35
+ void setError(String message);
36
+ }
@@ -0,0 +1,36 @@
1
+ /*
2
+ Copyright Ideaconsult Ltd. (C) 2005-2007
3
+
4
+ Contact: nina@acad.bg
5
+
6
+ This program is free software; you can redistribute it and/or
7
+ modify it under the terms of the GNU General Public License
8
+ as published by the Free Software Foundation; either version 2
9
+ of the License, or (at your option) any later version.
10
+ All we ask is that proper credit is given for our work, which includes
11
+ - but is not limited to - adding the above copyright notice to the beginning
12
+ of your source code files, and to any copyright notice that you may distribute
13
+ with programs based on this work.
14
+
15
+ This program is distributed in the hope that it will be useful,
16
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
17
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18
+ GNU General Public License for more details.
19
+
20
+ You should have received a copy of the GNU General Public License
21
+ along with this program; if not, write to the Free Software
22
+ Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
23
+
24
+ */
25
+ package toxTree.core;
26
+
27
+ public interface IRuleRange extends IDecisionRule {
28
+ public void setMinValue(double min);
29
+ public void setMaxValue(double max);
30
+ public double getMinValue();
31
+ public double getMaxValue();
32
+ public Object getProperty();
33
+ public void setProperty(Object value);
34
+ }
35
+
36
+
@@ -0,0 +1,76 @@
1
+ /*
2
+ Copyright Ideaconsult Ltd. (C) 2005-2007
3
+
4
+ Contact: nina@acad.bg
5
+
6
+ This program is free software; you can redistribute it and/or
7
+ modify it under the terms of the GNU General Public License
8
+ as published by the Free Software Foundation; either version 2
9
+ of the License, or (at your option) any later version.
10
+ All we ask is that proper credit is given for our work, which includes
11
+ - but is not limited to - adding the above copyright notice to the beginning
12
+ of your source code files, and to any copyright notice that you may distribute
13
+ with programs based on this work.
14
+
15
+ This program is distributed in the hope that it will be useful,
16
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
17
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18
+ GNU General Public License for more details.
19
+
20
+ You should have received a copy of the GNU General Public License
21
+ along with this program; if not, write to the Free Software
22
+ Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
23
+
24
+ */
25
+ package toxTree.core;
26
+
27
+ import java.util.List;
28
+
29
+ import org.openscience.cdk.AtomContainer;
30
+ import org.openscience.cdk.interfaces.IAtomContainer;
31
+
32
+ /**
33
+ *
34
+ * An interface to support substructure rules
35
+ * @author Nina Jeliazkova nina@acad.bg
36
+ * <b>Modified</b> 2005-10-18
37
+ */
38
+ public interface IRuleSubstructures extends IDecisionRule {
39
+ /**
40
+ * Adds a substructure {@link AtomContainer} to the rule
41
+ * @param fragment
42
+ */
43
+ public void addSubstructure(IAtomContainer fragment);
44
+ /**
45
+ * Returns a substructure {@link AtomContainer} at a given rules
46
+ * @param index
47
+ * @return molecule {@link AtomContainer}
48
+ */
49
+ public IAtomContainer getSubstructure(int index);
50
+ /**
51
+ * sets substructure at index
52
+ * @param index
53
+ * @param atomContainer
54
+ */
55
+ public void setSubstructure(int index,IAtomContainer atomContainer);
56
+ /**
57
+ * removes all substructures defined for a rule
58
+ */
59
+ public void clearSubstructures();
60
+ /**
61
+ * @return the number of substructures defined for the rule
62
+ */
63
+ public int getSubstructuresCount() ;
64
+ /**
65
+ * Removes substructure at a given index
66
+ * @param index
67
+ * @return {@link AtomContainer}
68
+ */
69
+ public IAtomContainer removeSubstructure(int index);
70
+ /**
71
+ * Returns a list {@link java.util.ArrayList} of {@link AtomContainer} defined for the rule
72
+ * @return list {@link List}
73
+ */
74
+ public List getSubstructures();
75
+
76
+ }
@@ -0,0 +1,35 @@
1
+ /*
2
+ Copyright Ideaconsult Ltd. (C) 2005-2007
3
+
4
+ Contact: nina@acad.bg
5
+
6
+ This program is free software; you can redistribute it and/or
7
+ modify it under the terms of the GNU General Public License
8
+ as published by the Free Software Foundation; either version 2
9
+ of the License, or (at your option) any later version.
10
+ All we ask is that proper credit is given for our work, which includes
11
+ - but is not limited to - adding the above copyright notice to the beginning
12
+ of your source code files, and to any copyright notice that you may distribute
13
+ with programs based on this work.
14
+
15
+ This program is distributed in the hope that it will be useful,
16
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
17
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18
+ GNU General Public License for more details.
19
+
20
+ You should have received a copy of the GNU General Public License
21
+ along with this program; if not, write to the Free Software
22
+ Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
23
+
24
+ */
25
+
26
+ package toxTree.core;
27
+
28
+ public interface IRuleValue extends IDecisionRule {
29
+ public void setValue(double value);
30
+ public double getValue();
31
+ public Object getProperty();
32
+ public void setProperty(Object value);
33
+ }
34
+
35
+
@@ -0,0 +1,41 @@
1
+ /*
2
+ Copyright Ideaconsult Ltd. (C) 2005-2007
3
+
4
+ Contact: nina@acad.bg
5
+
6
+ This program is free software; you can redistribute it and/or
7
+ modify it under the terms of the GNU General Public License
8
+ as published by the Free Software Foundation; either version 2
9
+ of the License, or (at your option) any later version.
10
+ All we ask is that proper credit is given for our work, which includes
11
+ - but is not limited to - adding the above copyright notice to the beginning
12
+ of your source code files, and to any copyright notice that you may distribute
13
+ with programs based on this work.
14
+
15
+ This program is distributed in the hope that it will be useful,
16
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
17
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18
+ GNU General Public License for more details.
19
+
20
+ You should have received a copy of the GNU General Public License
21
+ along with this program; if not, write to the Free Software
22
+ Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
23
+
24
+ */
25
+
26
+ package toxTree.core;
27
+
28
+ import java.awt.Component;
29
+
30
+ /**
31
+ * Parent interface for all editors in ToxTree.
32
+ * @author Nina Jeliazkova
33
+ *
34
+ */
35
+ public interface IToxTreeEditor {
36
+ public Component getVisualCompoment();
37
+ public boolean isEditable();
38
+ public void setEditable(boolean editable);
39
+ }
40
+
41
+
@@ -0,0 +1,608 @@
1
+ /*
2
+ Copyright Ideaconsult Ltd. (C) 2005-2007
3
+
4
+ Contact: nina@acad.bg
5
+
6
+ This program is free software; you can redistribute it and/or
7
+ modify it under the terms of the GNU General Public License
8
+ as published by the Free Software Foundation; either version 2
9
+ of the License, or (at your option) any later version.
10
+ All we ask is that proper credit is given for our work, which includes
11
+ - but is not limited to - adding the above copyright notice to the beginning
12
+ of your source code files, and to any copyright notice that you may distribute
13
+ with programs based on this work.
14
+
15
+ This program is distributed in the hope that it will be useful,
16
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
17
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18
+ GNU General Public License for more details.
19
+
20
+ You should have received a copy of the GNU General Public License
21
+ along with this program; if not, write to the Free Software
22
+ Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
23
+
24
+ */
25
+ package toxTree.core;
26
+
27
+ import java.beans.Encoder;
28
+ import java.beans.ExceptionListener;
29
+ import java.beans.Expression;
30
+ import java.beans.PersistenceDelegate;
31
+ import java.beans.XMLDecoder;
32
+ import java.beans.XMLEncoder;
33
+ import java.io.BufferedInputStream;
34
+ import java.io.File;
35
+ import java.io.FileFilter;
36
+ import java.io.IOException;
37
+ import java.io.InputStream;
38
+ import java.io.OutputStream;
39
+ import java.lang.reflect.Field;
40
+ import java.lang.reflect.Modifier;
41
+ import java.net.MalformedURLException;
42
+ import java.net.URL;
43
+ import java.util.ArrayList;
44
+ import java.util.Enumeration;
45
+ import java.util.jar.JarEntry;
46
+ import java.util.jar.JarFile;
47
+ import java.util.logging.Level;
48
+ import java.util.logging.Logger;
49
+
50
+ import toxTree.exceptions.IntrospectionException;
51
+ import toxTree.tree.ProgressStatus;
52
+
53
+ /**
54
+ *
55
+ * A singleton class with static method to provide some sort of introspection :)
56
+ * Used in decision tree editor to provide a list of available decision trees,
57
+ * available rules, available categories. <br>
58
+ * This is done by searching for classes implementing
59
+ * {@link toxTree.core.IDecisionMethod}, {@link toxTree.core.IDecisionRule}, and
60
+ * {@link toxTree.core.IDecisionCategory} in all .jar files in a user defined
61
+ * directory.
62
+ *
63
+ * @author Nina Jeliazkova nina@acad.bg <b>Modified</b> 2005-10-18
64
+ */
65
+ public class Introspection {
66
+ public static final String TOXTREE_HOME = "TOXTREE";
67
+ protected static String[] defaultLocation = { "dist", "ext", "toxTree/dist" };
68
+
69
+ protected transient static Logger logger = Logger.getLogger(Introspection.class.getName());
70
+
71
+ protected static ToxTreeClassLoader loader;
72
+
73
+ protected Introspection() {
74
+ super();
75
+ loader = null;
76
+ }
77
+
78
+ public static void addDirectory(String dirName) {
79
+ defaultLocation[0] = new String(dirName);
80
+ return;
81
+ }
82
+
83
+ public static String[] getDefaultDirectories() {
84
+ return defaultLocation;
85
+ }
86
+
87
+ /*
88
+ * public static ArrayList getClassImplementing(String anInterface) {
89
+ * ArrayList result = new ArrayList(); Package[] packages =
90
+ * Package.getPackages();
91
+ *
92
+ * for (int i =0; i<packages.length;i++) { Package self = packages[i]; if
93
+ * ((self != null) && (self.getName().startsWith("toxTree"))) { } }
94
+ *
95
+ * return result; }
96
+ */
97
+ /**
98
+ * this is just a test for the concept of introspection
99
+ */
100
+ public static void listBaseTypes(Class cls, String prefix) {
101
+ if (cls == Object.class)
102
+ return;
103
+ Class[] itfs = cls.getInterfaces();
104
+
105
+ for (int n = 0; n < itfs.length; n++) {
106
+ // System.out.println(prefix + "implements " + itfs[n]);
107
+ listBaseTypes(itfs[n], prefix + "\t");
108
+ }
109
+ Class base = cls.getSuperclass();
110
+ if (base == null)
111
+ return;
112
+ // System.out.println(prefix + "extends " + base);
113
+ listBaseTypes(base, prefix + "\t");
114
+ }
115
+
116
+ /**
117
+ * Verifies if a class implements an interface
118
+ *
119
+ * @param className
120
+ * - the name of the class to be verified
121
+ * @param interfaceName
122
+ * - the name of the interface to be searched for
123
+ * @return Class
124
+ */
125
+ public static Class implementsInterface(String className, String interfaceName)
126
+ throws toxTree.exceptions.IntrospectionException {
127
+ try {
128
+ System.out.print(".");
129
+ Class clazz = Class.forName(className);
130
+ int modifier = clazz.getModifiers();
131
+ if (Modifier.isAbstract(modifier))
132
+ return null;
133
+ else if (Modifier.isInterface(modifier))
134
+ return null;
135
+ return implementsInterface(clazz, interfaceName);
136
+ } catch (ClassNotFoundException x) {
137
+ //
138
+ if (loader != null) {
139
+ try {
140
+ // replacement reccomended by
141
+ // http://bugs.sun.com/bugdatabase/view_bug.do?bug_id=6500212
142
+ // Class clazz = loader.loadClass(className);
143
+ Class clazz = Class.forName(className, true, loader);
144
+ int modifier = clazz.getModifiers();
145
+ if (Modifier.isAbstract(modifier))
146
+ return null;
147
+ else if (Modifier.isInterface(modifier))
148
+ return null;
149
+ return implementsInterface(clazz, interfaceName);
150
+ } catch (ClassNotFoundException xx) {
151
+
152
+ throw new toxTree.exceptions.IntrospectionException(xx);
153
+ }
154
+ }
155
+ // x.printStackTrace();
156
+ return null;
157
+ } catch (Exception x) {
158
+ throw new toxTree.exceptions.IntrospectionException(x);
159
+ }
160
+ }
161
+
162
+ /**
163
+ * Verifies if a class implements an interface
164
+ *
165
+ * @param clazz
166
+ * - the class to be verified
167
+ * @param interfaceName
168
+ * - the name of the interface to be searched for
169
+ * @return Class
170
+ */
171
+ public static Class implementsInterface(Class clazz, String interfaceName) {
172
+ Class[] interfaces = clazz.getInterfaces();
173
+
174
+ for (int i = 0; i < interfaces.length; i++)
175
+ if (interfaces[i].getName().equals(interfaceName))
176
+ return clazz;
177
+
178
+ // try base class
179
+ Class base = clazz.getSuperclass();
180
+ if (base == null)
181
+ return null;
182
+ else
183
+ return implementsInterface(base, interfaceName);
184
+
185
+ }
186
+
187
+ public static File[] enumerateJars(File directory) throws toxTree.exceptions.IntrospectionException {
188
+ try {
189
+ logger.info("Looking for .jar files in\t" + directory.getAbsolutePath());
190
+ return directory.listFiles(new FileFilter() {
191
+ public boolean accept(File arg0) {
192
+ // return arg0.getName().toLowerCase().endsWith(".jar");
193
+ return arg0.getName().toLowerCase().endsWith(".jar")
194
+ && arg0.getName().toLowerCase().startsWith("tox");
195
+ }
196
+ });
197
+ } catch (Exception x) {
198
+ throw new IntrospectionException(x);
199
+ }
200
+ }
201
+
202
+ /**
203
+ * Adds URLS of jars in default directories to the class loader. Calls
204
+ * {@link #configureURLLoader(File directory)} for each of
205
+ * {@link #defaultLocation} directories.
206
+ *
207
+ * @param classLoader
208
+ */
209
+ public static void configureURLLoader(ClassLoader classLoader) {
210
+ setLoader(classLoader);
211
+ for (int i = 0; i < defaultLocation.length; i++) {
212
+ try {
213
+ configureURLLoader(new File(getToxTreeRoot() + defaultLocation[i]));
214
+ } catch (toxTree.exceptions.IntrospectionException x) {
215
+ x.printStackTrace();
216
+ }
217
+ }
218
+
219
+ }
220
+
221
+ /**
222
+ * Adds URLS of jars in specified directory to the class loader.
223
+ *
224
+ * @param directory
225
+ * @throws toxTree.exceptions.IntrospectionException
226
+ */
227
+ public static void configureURLLoader(File directory) throws toxTree.exceptions.IntrospectionException {
228
+ if (loader == null)
229
+ throw new IntrospectionException("Class loader not set!");
230
+ File[] jars = enumerateJars(directory);
231
+ if (jars == null)
232
+ return;
233
+ for (int i = 0; i < jars.length; i++)
234
+ try {
235
+ loader.addURL(jars[i].toURL());
236
+ } catch (MalformedURLException x) {
237
+ logger.log(Level.SEVERE, x.getMessage(), x);
238
+ }
239
+ }
240
+
241
+ /**
242
+ * Adds URLS of jars specified in File[] to the class loader.
243
+ *
244
+ * @param jars
245
+ * @throws toxTree.exceptions.IntrospectionException
246
+ */
247
+ public static void configureURLLoader(File[] jars) throws toxTree.exceptions.IntrospectionException {
248
+ if (loader == null)
249
+ throw new IntrospectionException("Class loader not set!");
250
+ for (int i = 0; i < jars.length; i++)
251
+ try {
252
+ loader.addURL(jars[i].toURL());
253
+ } catch (MalformedURLException x) {
254
+ logger.log(Level.SEVERE, x.getMessage(), x);
255
+ }
256
+ }
257
+
258
+ /**
259
+ * Finds classes implementing an interface in all .jar files in a user
260
+ * defined directory.
261
+ *
262
+ * @param directory
263
+ * - the directory with jar files to be searched for
264
+ * @param interfaceName
265
+ * - the name of the interface to be searched for
266
+ * @return ToxTreePackageEntries of String , each item is a class name
267
+ */
268
+
269
+ public static ToxTreePackageEntries implementInterface(ClassLoader classLoader, File directory, String interfaceName)
270
+ throws toxTree.exceptions.IntrospectionException {
271
+ setLoader(loader);
272
+ File[] files = enumerateJars(directory);
273
+
274
+ ToxTreePackageEntries rules = new ToxTreePackageEntries();
275
+ if (files == null)
276
+ return rules;
277
+ for (int i = 0; i < files.length; i++)
278
+
279
+ try {
280
+ logger.info("Inspecting jar file\t" + files[i] + "\t" + files[i].toURL());
281
+ JarFile jar = new JarFile(files[i]);
282
+ Enumeration entries = jar.entries();
283
+ if (loader != null)
284
+ loader.addURL(files[i].toURL());
285
+ logger.info(files[i].getAbsolutePath());
286
+ while (entries.hasMoreElements()) {
287
+ JarEntry entry = (JarEntry) entries.nextElement();
288
+ if (!entry.getName().endsWith("class"))
289
+ continue;
290
+
291
+ String name = entry.getName();
292
+
293
+ name = name.replaceAll("/", ".").substring(0, name.indexOf(".class"));
294
+
295
+ Class rule = null;
296
+ try {
297
+ rule = Introspection.implementsInterface(name, interfaceName);
298
+ } catch (Exception x) {
299
+ rule = null;
300
+ }
301
+
302
+ if (rule != null) {
303
+ logger.fine("Class\t" + name + "\timplements\t" + interfaceName + "\tYES");
304
+ try {
305
+
306
+ if (!name.endsWith("BatchDecisionResultsList"))
307
+ rules.add(new ToxTreePackageEntry(name, files[i].getAbsolutePath(), ""));
308
+ } catch (Exception x) {
309
+ logger.log(Level.SEVERE, x.getMessage(), x);
310
+ }
311
+ } else
312
+ logger.fine("Class\t" + name + "\timplements\t" + interfaceName + "\tNO");
313
+
314
+ }
315
+
316
+ } catch (IOException x) {
317
+ logger.log(Level.SEVERE, x.getMessage(), x);
318
+ }
319
+
320
+ return rules;
321
+
322
+ }
323
+
324
+ /**
325
+ * Returns a list with available rule names. Uses
326
+ * {@link #getAvailableTypes(ClassLoader, String)}
327
+ *
328
+ * @return an {@link ArrayList} of class names that implement
329
+ * {@link IDecisionRule}
330
+ */
331
+ public static ToxTreePackageEntries getAvailableRuleTypes(ClassLoader classLoader) {
332
+ return getAvailableTypes(classLoader, "toxTree.core.IDecisionRule");
333
+ }
334
+
335
+ /**
336
+ * Returns a list with available decision trees. Uses
337
+ * {@link #getAvailableTypes(ClassLoader, String)}
338
+ *
339
+ * @return an {@link ArrayList} of class names that implement
340
+ * {@link IDecisionMethod}
341
+ */
342
+ public static ToxTreePackageEntries getAvailableTreeTypes(ClassLoader classLoader) {
343
+ return getAvailableTypes(classLoader, "toxTree.core.IDecisionMethod");
344
+ }
345
+
346
+ /**
347
+ * This method is the core of {@link toxTree.apps.ToxTreeApp} extension
348
+ * mechanism. Looks for classes that implement interface given by
349
+ * interfacename parameter. Returns a list with class names. Jar files
350
+ * within the following directories are analyzed:
351
+ * <ul>
352
+ * <li>The directory from where the application was started (current
353
+ * directory "."). This is usually the directory where toxTree.jar resides.
354
+ * <li>The directory "dist" below the current directory.
355
+ * <li>The directory "ext" below the current directory.
356
+ * </ul>
357
+ *
358
+ * @param classLoader
359
+ * @param interfacename
360
+ * the
361
+ * @return a list with available class names , implementing the interface
362
+ * {@link ArrayList}
363
+ */
364
+ public static ToxTreePackageEntries getAvailableTypes(ClassLoader classLoader, String interfacename) {
365
+ setLoader(classLoader);
366
+ ToxTreePackageEntries listAll = null;
367
+
368
+ for (int i = 0; i < defaultLocation.length; i++) {
369
+ try {
370
+ ToxTreePackageEntries list = implementInterface(classLoader, new File(getToxTreeRoot()
371
+ + defaultLocation[i]), interfacename);
372
+ if (list.size() != 0) {
373
+ if (listAll == null)
374
+ listAll = new ToxTreePackageEntries();
375
+ listAll.addAll(list);
376
+ }
377
+ } catch (toxTree.exceptions.IntrospectionException x) {
378
+ x.printStackTrace();
379
+ }
380
+ }
381
+ return listAll;
382
+
383
+ }
384
+
385
+ /**
386
+ * Returns a list with available categories
387
+ *
388
+ * @return an {@link ArrayList} of class names that implement
389
+ * {@link IDecisionCategory}
390
+ */
391
+ public static ToxTreePackageEntries getAvailableCategoryTypes(ClassLoader classLoader) {
392
+ return getAvailableTypes(classLoader, "toxTree.core.IDecisionCategory");
393
+ }
394
+
395
+ /**
396
+ * Creates object given the class name
397
+ *
398
+ * @param className
399
+ * @return Object
400
+ */
401
+ public static Object createObject(String className) {
402
+ Object object = null;
403
+ try {
404
+ Class classDefinition = Class.forName(className);
405
+ object = classDefinition.newInstance();
406
+ } catch (InstantiationException x) {
407
+ logger.log(Level.SEVERE, x.getMessage(), x);
408
+ } catch (IllegalAccessException x) {
409
+ logger.log(Level.SEVERE, x.getMessage(), x);
410
+ } catch (ClassNotFoundException x) {
411
+ logger.log(Level.SEVERE, x.getMessage(), x);
412
+ }
413
+ return object;
414
+ }
415
+
416
+ public static Object loadCreateObject(String className) throws InstantiationException, IllegalAccessException,
417
+ ClassNotFoundException {
418
+ if (loader == null)
419
+ return createObject(className);
420
+ Object object = null;
421
+ Class classDefinition = loader.loadClass(className);
422
+ return classDefinition.newInstance();
423
+ }
424
+
425
+ public static ClassLoader getLoader() {
426
+ return loader;
427
+ }
428
+
429
+ public static void setLoader(ClassLoader classLoader) {
430
+ // System.out.println("Current loader "+loader);
431
+ // System.out.println("new loader "+classLoader);
432
+ if ((loader == null) || !(loader instanceof ToxTreeClassLoader)) {
433
+ URL[] defaultURL = new URL[defaultLocation.length];
434
+ for (int i = 0; i < defaultURL.length; i++) {
435
+ try {
436
+
437
+ // URL u = new URL("jar", "", plugins[i] + "!/");
438
+ defaultURL[i] = new URL("jar", "", getToxTreeRoot() + defaultLocation[i] + "!/");
439
+ // defaultURL[i] = new URL(defaultLocation[i]);
440
+
441
+ } catch (MalformedURLException x) {
442
+ logger.severe(x.getMessage());
443
+ }
444
+ }
445
+
446
+ loader = new ToxTreeClassLoader(defaultURL, classLoader);
447
+ logger.info("Now loader " + loader);
448
+ }
449
+
450
+ }
451
+
452
+ /**
453
+ * Loads a decision tree from an InputStream Uses Java serialization
454
+ * mechanism
455
+ *
456
+ * @param stream
457
+ * @param newTitle
458
+ * @return a decision tree {@link IDecisionMethod}
459
+ */
460
+ public static IDecisionMethod loadRules(InputStream stream, String newTitle) throws IntrospectionException {
461
+ ToxTreeObjectInputStream in = null;
462
+ try {
463
+
464
+ in = new ToxTreeObjectInputStream(stream);
465
+
466
+ IDecisionMethod tree = (IDecisionMethod) in.readObject();
467
+ tree.setModified(false);
468
+ if (tree != null) {
469
+ tree.setExplanation(tree.getExplanation() + "\n" + newTitle);
470
+ }
471
+ /*
472
+ * JOptionPane.showMessageDialog(null, tree.toString(),
473
+ * "Decision tree loaded successfully.",
474
+ * JOptionPane.INFORMATION_MESSAGE);
475
+ */
476
+ return tree;
477
+ } catch (Exception e) {
478
+ throw new IntrospectionException("Error when loading the decision tree " + newTitle, e);
479
+
480
+ } finally {
481
+ try {
482
+ if (in != null)
483
+ in.close();
484
+ } catch (Exception x) {
485
+ }
486
+ }
487
+ }
488
+
489
+ public static IDecisionMethodsList loadForest(InputStream stream) throws IntrospectionException {
490
+ ToxTreeObjectInputStream in = null;
491
+ try {
492
+
493
+ in = new ToxTreeObjectInputStream(stream);
494
+
495
+ IDecisionMethodsList methods = (IDecisionMethodsList) in.readObject();
496
+ /*
497
+ * JOptionPane.showMessageDialog(null, methods.size() +
498
+ * " decision trees", "Decision forest loaded successfully.",
499
+ * JOptionPane.INFORMATION_MESSAGE);
500
+ */
501
+ return methods;
502
+ } catch (Exception e) {
503
+ throw new IntrospectionException("Error when loading the decision forest", e);
504
+ } finally {
505
+ try {
506
+ if (in != null)
507
+ in.close();
508
+ } catch (Exception x) {
509
+ }
510
+ }
511
+ }
512
+
513
+ public static void saveRulesXML(IDecisionMethod method, OutputStream out) throws IntrospectionException {
514
+ Thread.currentThread().setContextClassLoader(Introspection.getLoader());
515
+ XMLEncoder encoder = new XMLEncoder(out);
516
+ encoder.setPersistenceDelegate(ProgressStatus.STATUS.class, new TypeSafeEnumPersistenceDelegate());
517
+
518
+ encoder.writeObject(method);
519
+ encoder.close();
520
+
521
+ }
522
+
523
+ public static IDecisionMethod loadRulesXML(InputStream stream, String newTitle) throws IntrospectionException {
524
+ try {
525
+ logger.info("Classloader " + loader);
526
+ if (loader == null) {
527
+ setLoader(null); // this will trigger creation of the right
528
+ // classloader
529
+ }
530
+ Thread.currentThread().setContextClassLoader(loader);
531
+
532
+ ExceptionListener el = new ExceptionListener() {
533
+
534
+ public void exceptionThrown(Exception e) {
535
+
536
+ e.printStackTrace();
537
+ }
538
+ };
539
+ XMLDecoder decoder = new XMLDecoder(new BufferedInputStream(stream), null, el, loader);
540
+ IDecisionMethod tree = (IDecisionMethod) decoder.readObject();
541
+ decoder.close();
542
+
543
+ if (tree != null) {
544
+ tree.setExplanation(tree.getExplanation());
545
+ tree.setModified(false);
546
+ }
547
+ return tree;
548
+ } catch (Exception e) {
549
+ throw new IntrospectionException("Error when loading the decision tree " + newTitle, e);
550
+ }
551
+ }
552
+
553
+ public static IDecisionMethodsList loadForestXML(InputStream stream) throws IntrospectionException {
554
+ try {
555
+ if (loader == null)
556
+ setLoader(null); // this will trigger creation of the right
557
+ // classloader
558
+ Thread.currentThread().setContextClassLoader(loader);
559
+
560
+ XMLDecoder decoder = new XMLDecoder(new BufferedInputStream(stream), null, null, loader);
561
+ IDecisionMethodsList methods = (IDecisionMethodsList) decoder.readObject();
562
+ decoder.close();
563
+ /*
564
+ * JOptionPane.showMessageDialog(null, methods.size() +
565
+ * " decision trees", "Decision forest loaded successfully.",
566
+ * JOptionPane.INFORMATION_MESSAGE);
567
+ */
568
+ return methods;
569
+ } catch (Exception e) {
570
+ throw new IntrospectionException("Error when loading the decision forest from .fml file", e);
571
+ }
572
+ }
573
+
574
+ public static String getToxTreeRoot() {
575
+ String rootFolder = System.getenv(TOXTREE_HOME);
576
+ if (rootFolder == null)
577
+ return "";
578
+ else
579
+ return rootFolder + '/';
580
+ }
581
+ }
582
+
583
+ class TypeSafeEnumPersistenceDelegate extends PersistenceDelegate {
584
+ protected boolean mutatesTo(Object oldInstance, Object newInstance) {
585
+ return oldInstance == newInstance;
586
+ }
587
+
588
+ protected Expression instantiate(Object oldInstance, Encoder out) {
589
+ Class type = oldInstance.getClass();
590
+ if (!Modifier.isPublic(type.getModifiers()))
591
+ throw new IllegalArgumentException("Could not instantiate instance of non-public class: " + oldInstance);
592
+
593
+ for (Field field : type.getFields()) {
594
+ int mod = field.getModifiers();
595
+ if (Modifier.isPublic(mod) && Modifier.isStatic(mod) && Modifier.isFinal(mod)
596
+ && (type == field.getDeclaringClass())) {
597
+ try {
598
+ if (oldInstance == field.get(null))
599
+ return new Expression(oldInstance, field, "get", new Object[] { null });
600
+ } catch (IllegalAccessException exception) {
601
+ throw new IllegalArgumentException("Could not get value of the field: " + field, exception);
602
+ }
603
+ }
604
+ }
605
+ throw new IllegalArgumentException("Could not instantiate value: " + oldInstance);
606
+ }
607
+
608
+ }