toxtree 0.0.1

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  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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  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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  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
  1069. data/Toxtree-v2.6.13/src/toxtree/plugins/kroes/rules/KroesRule11.java +24 -0
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  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 +1,253 @@
1
+ /*
2
+ Copyright (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 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.ui.tree;
26
+
27
+ import java.awt.Color;
28
+ import java.awt.Desktop;
29
+ import java.awt.Dimension;
30
+ import java.awt.event.ActionEvent;
31
+
32
+ import javax.swing.AbstractAction;
33
+ import javax.swing.JButton;
34
+ import javax.swing.JPanel;
35
+ import javax.swing.JScrollPane;
36
+ import javax.swing.JSplitPane;
37
+ import javax.swing.JTabbedPane;
38
+ import javax.swing.JTextPane;
39
+ import javax.swing.UIManager;
40
+ import javax.swing.event.HyperlinkEvent;
41
+ import javax.swing.event.HyperlinkListener;
42
+ import javax.swing.plaf.ButtonUI;
43
+ import javax.swing.text.html.HTMLEditorKit;
44
+
45
+ import org.openscience.cdk.interfaces.IAtomContainer;
46
+
47
+ import toxTree.core.IDecisionInteractive;
48
+ import toxTree.core.IDecisionMethod;
49
+ import toxTree.core.IDecisionRule;
50
+ import toxTree.core.IDecisionRuleList;
51
+ import toxTree.io.Tools;
52
+ import toxtree.ui.PropertyEditor;
53
+ import ambit2.base.config.Preferences;
54
+ import ambit2.base.config.Preferences.VTAGS;
55
+ import ambit2.ui.editors.PreferencesPanel;
56
+
57
+ import com.l2fprod.common.swing.JOutlookBar;
58
+ import com.l2fprod.common.swing.PercentLayout;
59
+
60
+ public class TreeOptions extends JSplitPane {
61
+ /**
62
+ *
63
+ */
64
+ private static final long serialVersionUID = -4430297393022588312L;
65
+
66
+ public TreeOptions(IDecisionMethod tree, IAtomContainer atomcontainer) {
67
+ super(JSplitPane.HORIZONTAL_SPLIT);
68
+ JOutlookBar outlook = new JOutlookBar();
69
+ outlook.setBackground(Color.white);
70
+ outlook.setTabPlacement(JTabbedPane.LEFT);
71
+ addGenericTab(outlook);
72
+ if (atomcontainer != null)
73
+ addMoleculeTab(outlook, atomcontainer);
74
+ addTreeTab(outlook, tree);
75
+ setLeftComponent(outlook);
76
+ JTextPane details = new JTextPane();
77
+ details.addHyperlinkListener(new HyperlinkListener() {
78
+ public void hyperlinkUpdate(HyperlinkEvent e) {
79
+ if (e.getEventType() == HyperlinkEvent.EventType.ACTIVATED) {
80
+ try {
81
+ if (Desktop.isDesktopSupported()) {
82
+ Desktop.getDesktop().browse(e.getURL().toURI());
83
+ } else
84
+ Tools.openURL(e.getURL().toString());
85
+ } catch (Exception x) {
86
+ x.printStackTrace();
87
+ }
88
+ }
89
+ }
90
+ });
91
+ details.setEditorKit(new HTMLEditorKit());
92
+ details.setText(tree.getExplanation());
93
+ setRightComponent(new JScrollPane(details));
94
+ setPreferredSize(new Dimension(450, 400));
95
+
96
+ }
97
+
98
+ void addGenericTab(JOutlookBar tabs) {
99
+ JPanel panel = new JPanel();
100
+ panel.setLayout(new PercentLayout(PercentLayout.VERTICAL, 0));
101
+ panel.setOpaque(false);
102
+
103
+ JButton button = new JButton(new PropertiesAction("Options", "General Toxtree options") {
104
+ /**
105
+ *
106
+ */
107
+ private static final long serialVersionUID = -7838273383616865960L;
108
+
109
+ @Override
110
+ public void actionPerformed(ActionEvent e) {
111
+
112
+ setRightComponent(new PreferencesPanel(new Preferences.VTAGS[] { VTAGS.General, VTAGS.Structure,
113
+ VTAGS.RemoteQuery }).getJComponent());
114
+ }
115
+ });
116
+ try {
117
+
118
+ button.setUI((ButtonUI) Class.forName((String) UIManager.get("OutlookButtonUI")).newInstance());
119
+ button.setIcon(Tools.getImage("cog.png"));
120
+ } catch (Exception e) {
121
+ e.printStackTrace();
122
+ }
123
+ panel.add(button);
124
+
125
+ JScrollPane scroll = tabs.makeScrollPane(panel);
126
+ tabs.addTab("General", scroll);
127
+
128
+ }
129
+
130
+ void addMoleculeTab(JOutlookBar tabs, IAtomContainer atomcontainer) {
131
+ JPanel panel = new JPanel();
132
+ panel.setLayout(new PercentLayout(PercentLayout.VERTICAL, 0));
133
+ panel.setOpaque(false);
134
+
135
+ JButton button = new JButton(new StructureAction(atomcontainer, "Structure", "Current structure") {
136
+ /**
137
+ *
138
+ */
139
+ private static final long serialVersionUID = 3895237480993153266L;
140
+
141
+ public void actionPerformed(ActionEvent e) {
142
+ setRightComponent(new PropertyEditor(getMolecule(), null));
143
+ }
144
+ });
145
+ try {
146
+ button.setUI((ButtonUI) Class.forName((String) UIManager.get("OutlookButtonUI")).newInstance());
147
+ } catch (Exception e) {
148
+ e.printStackTrace();
149
+ }
150
+ panel.add(button);
151
+
152
+ JScrollPane scroll = tabs.makeScrollPane(panel);
153
+ tabs.addTab("Structure", scroll);
154
+
155
+ }
156
+
157
+ void addTreeTab(JOutlookBar tabs, IDecisionMethod tree) {
158
+ JPanel panel = null;
159
+
160
+ IDecisionRuleList rules = tree.getRules();
161
+ for (int i = 0; i < rules.size(); i++) {
162
+ IDecisionRule rule = rules.getRule(i);
163
+ /*
164
+ * if (rule instanceof IDecisionInteractive) { JComponent c =
165
+ * ((IDecisionInteractive) rule).optionsPanel(null); if (c == null)
166
+ * continue; JButton button = new JButton(new
167
+ * RuleAction((IDecisionInteractive)
168
+ * rule,rule.getID(),rule.getExplanation()) { public void
169
+ * actionPerformed(ActionEvent e) { JComponent c =
170
+ * getRule().optionsPanel(null); setPreferredSize(new
171
+ * Dimension(200,400)); setRightComponent(c);
172
+ *
173
+ * } }); try { button.setUI((ButtonUI)Class.forName(
174
+ * (String)UIManager.get("OutlookButtonUI")).newInstance());
175
+ * button.setIcon(Tools.getImage("arrow_divide.png")); } catch
176
+ * (Exception e) { e.printStackTrace(); } if (panel == null) { panel
177
+ * = new JPanel(); panel.setLayout(new
178
+ * PercentLayout(PercentLayout.VERTICAL, 0));
179
+ * panel.setOpaque(false); } panel.add(button); }
180
+ */
181
+ }
182
+
183
+ if (panel != null) {
184
+ JScrollPane scroll = tabs.makeScrollPane(panel);
185
+ tabs.addTab("", scroll);
186
+
187
+ // this to test the UI gets notified of changes
188
+ int index = tabs.indexOfComponent(scroll);
189
+ tabs.setTitleAt(index, "Rules options");
190
+ tabs.setToolTipTextAt(index, tree.getTitle());
191
+ }
192
+
193
+ }
194
+ }
195
+
196
+ class StructureAction extends PropertiesAction {
197
+ protected IAtomContainer molecule = null;
198
+ /**
199
+ *
200
+ */
201
+ private static final long serialVersionUID = -1074623615249070194L;
202
+
203
+ public StructureAction(IAtomContainer molecule, String title, String hint) {
204
+ super(title, hint);
205
+ setMolecule(molecule);
206
+ }
207
+
208
+ public IAtomContainer getMolecule() {
209
+ return molecule;
210
+ }
211
+
212
+ public void setMolecule(IAtomContainer molecule) {
213
+ this.molecule = molecule;
214
+ }
215
+ }
216
+
217
+ class RuleAction extends PropertiesAction {
218
+ protected IDecisionInteractive rule = null;
219
+ /**
220
+ *
221
+ */
222
+ private static final long serialVersionUID = -1074623615249070194L;
223
+
224
+ public RuleAction(IDecisionInteractive rule, String title, String hint) {
225
+ super(title, hint);
226
+ this.rule = rule;
227
+ }
228
+
229
+ public IDecisionInteractive getRule() {
230
+ return rule;
231
+ }
232
+
233
+ public void setRule(IDecisionInteractive rule) {
234
+ this.rule = rule;
235
+ }
236
+ }
237
+
238
+ class PropertiesAction extends AbstractAction {
239
+ /**
240
+ *
241
+ */
242
+ private static final long serialVersionUID = -1074623615249070194L;
243
+
244
+ public PropertiesAction(String title, String hint) {
245
+ super(title);
246
+ putValue(AbstractAction.SHORT_DESCRIPTION, hint);
247
+
248
+ }
249
+
250
+ public void actionPerformed(ActionEvent e) {
251
+
252
+ }
253
+ }
@@ -0,0 +1,194 @@
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.ui.tree;
26
+
27
+ import java.awt.BorderLayout;
28
+ import java.awt.Dimension;
29
+ import java.util.Observable;
30
+ import java.util.Observer;
31
+
32
+ import javax.swing.BorderFactory;
33
+ import javax.swing.Icon;
34
+ import javax.swing.JPanel;
35
+ import javax.swing.JScrollPane;
36
+ import javax.swing.JSplitPane;
37
+ import javax.swing.JTextArea;
38
+ import javax.swing.JTree;
39
+ import javax.swing.UIManager;
40
+ import javax.swing.event.TreeSelectionEvent;
41
+ import javax.swing.event.TreeSelectionListener;
42
+ import javax.swing.tree.DefaultTreeCellRenderer;
43
+ import javax.swing.tree.TreeSelectionModel;
44
+
45
+ import toxTree.core.IDecisionCategory;
46
+ import toxTree.core.IDecisionMethod;
47
+ import toxTree.core.IDecisionRule;
48
+ import toxTree.io.Tools;
49
+ import toxtree.ui.tree.rules.RulePanel;
50
+
51
+ /**
52
+ *
53
+ * Displays decision tree by standart {@link JTree} component.
54
+ * @author Nina Jeliazkova
55
+ * <b>Modified</b> 2005-10-23
56
+ */
57
+ public class TreePanel extends JPanel implements TreeSelectionListener, Observer {
58
+ /**
59
+ *
60
+ */
61
+ private static final long serialVersionUID = -6284436109070270704L;
62
+
63
+ protected DecisionTreeModel treeModel = null;
64
+ protected JTextArea reference = null;
65
+ protected JTree tree = null;
66
+
67
+ protected RulePanel rulePanel = null;
68
+
69
+ DecisionNodePanel nodePanel = null;
70
+
71
+ public TreePanel(IDecisionMethod treeMethod) {
72
+ super(new BorderLayout());
73
+ this.treeModel = new DecisionTreeModel(treeMethod);
74
+ addWidgets(treeMethod);
75
+ }
76
+
77
+ protected void addWidgets(IDecisionMethod treeMethod) {
78
+ JPanel p = new JPanel(new BorderLayout());
79
+ reference = new JTextArea();
80
+ reference.setWrapStyleWord(true);
81
+ reference.setColumns(30);
82
+ reference.setEditable(treeMethod.isEditable());
83
+ reference.setAutoscrolls(false);
84
+ reference.setPreferredSize(new Dimension(500, 24));
85
+ reference.setText(treeMethod.getExplanation());
86
+ reference.setToolTipText(treeMethod.getExplanation());
87
+ JScrollPane referenceView = new JScrollPane(reference);
88
+ referenceView.setHorizontalScrollBarPolicy(JScrollPane.HORIZONTAL_SCROLLBAR_AS_NEEDED);
89
+ referenceView.setVerticalScrollBarPolicy(JScrollPane.VERTICAL_SCROLLBAR_AS_NEEDED);
90
+
91
+ p.add(referenceView,BorderLayout.NORTH);
92
+
93
+ if (treeModel == null)
94
+ this.treeModel = new DecisionTreeModel();
95
+ tree = new JTree(treeModel);
96
+ // Retrieve the three icons
97
+ Icon leafIcon = Tools.getImage("tick.png");
98
+ Icon openIcon = Tools.getImage("open.gif");
99
+ Icon closedIcon = Tools.getImage("open.gif");
100
+
101
+ // Update only one tree instance
102
+ DefaultTreeCellRenderer renderer = (DefaultTreeCellRenderer)tree.getCellRenderer();
103
+ renderer.setLeafIcon(leafIcon);
104
+ renderer.setClosedIcon(closedIcon);
105
+ renderer.setOpenIcon(openIcon);
106
+
107
+ // Change defaults so that all new tree components will have new icons
108
+ UIManager.put("Tree.leafIcon", leafIcon);
109
+ UIManager.put("Tree.openIcon", openIcon);
110
+ UIManager.put("Tree.closedIcon", closedIcon);
111
+
112
+ tree.getSelectionModel().setSelectionMode(
113
+ TreeSelectionModel.SINGLE_TREE_SELECTION);
114
+
115
+ // Listen for when the selection changes.
116
+ tree.addTreeSelectionListener(this);
117
+
118
+ JScrollPane treeView = new JScrollPane(tree);
119
+ treeView.setPreferredSize(new Dimension(500, 300));
120
+
121
+ rulePanel = new RulePanel(null);
122
+
123
+ p.add(treeView, BorderLayout.CENTER);
124
+ nodePanel = new DecisionNodePanel(null);
125
+
126
+ p.add(nodePanel, BorderLayout.SOUTH);
127
+
128
+ JSplitPane treePane = new JSplitPane(JSplitPane.VERTICAL_SPLIT, p,
129
+ rulePanel);
130
+ treePane.setOneTouchExpandable(false);
131
+ treePane.setDividerLocation(250);
132
+
133
+ // Provide minimum sizes for the two components in the split pane
134
+ Dimension minimumSize = new Dimension(100, 50);
135
+ p.setMinimumSize(minimumSize);
136
+ rulePanel.setMinimumSize(minimumSize);
137
+
138
+ treePane.setBorder(BorderFactory.createTitledBorder("Decision Tree"));
139
+
140
+ add(treePane, BorderLayout.CENTER);
141
+ }
142
+
143
+ public void valueChanged(TreeSelectionEvent e) {
144
+ Object node = (Object) tree.getLastSelectedPathComponent();
145
+
146
+ if (node == null)
147
+ return;
148
+
149
+ if (node instanceof IDecisionRule) {
150
+ IDecisionRule nodeR = (IDecisionRule) node;
151
+ nodePanel.setNode((Observable) node);
152
+
153
+ rulePanel.setRule(nodeR);
154
+ IDecisionCategory category;
155
+ IDecisionRule branch = treeModel.decisionMethod.getBranch(nodeR,
156
+ false);
157
+
158
+ if (branch != null)
159
+ nodePanel.setNoBranch((Observable) branch);
160
+ else {
161
+ category = treeModel.decisionMethod.getCategory(nodeR, false);
162
+ if (category == null) {
163
+ // shouldn't get here
164
+ System.err.print("ERROR: no branch and no category!");
165
+ System.err.print(nodeR.toString());
166
+ System.err.print("\t");
167
+ System.err.println(nodeR);
168
+ }
169
+ nodePanel.setNoBranch((Observable) category);
170
+ }
171
+
172
+ branch = treeModel.decisionMethod.getBranch(nodeR, true);
173
+ if (branch != null)
174
+ nodePanel.setYesBranch((Observable) branch);
175
+
176
+ else {
177
+ category = treeModel.decisionMethod.getCategory(nodeR, true);
178
+ nodePanel.setYesBranch((Observable) category);
179
+ }
180
+ }
181
+ }
182
+
183
+ public void setDecisionMethod(IDecisionMethod decisionMethod) {
184
+ treeModel.decisionMethod = decisionMethod;
185
+
186
+ }
187
+
188
+ public void update(Observable arg0, Object arg1) {
189
+ treeModel.fireStructureChanged();
190
+
191
+ }
192
+
193
+
194
+ }
@@ -0,0 +1,393 @@
1
+ /*
2
+ Copyright (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 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.ui.tree;
26
+
27
+ import java.awt.Color;
28
+ import java.awt.event.ActionEvent;
29
+ import java.awt.event.MouseEvent;
30
+ import java.awt.geom.Rectangle2D;
31
+ import java.beans.PropertyChangeListener;
32
+ import java.beans.PropertyChangeSupport;
33
+
34
+ import javax.swing.AbstractAction;
35
+ import javax.swing.Action;
36
+ import javax.swing.JComponent;
37
+ import javax.swing.JOptionPane;
38
+ import javax.swing.JPopupMenu;
39
+
40
+ import prefuse.Constants;
41
+ import prefuse.Display;
42
+ import prefuse.Visualization;
43
+ import prefuse.action.ActionList;
44
+ import prefuse.action.RepaintAction;
45
+ import prefuse.action.assignment.ColorAction;
46
+ import prefuse.action.assignment.DataColorAction;
47
+ import prefuse.action.layout.Layout;
48
+ import prefuse.action.layout.graph.ForceDirectedLayout;
49
+ import prefuse.action.layout.graph.NodeLinkTreeLayout;
50
+ import prefuse.activity.Activity;
51
+ import prefuse.controls.ControlAdapter;
52
+ import prefuse.controls.DragControl;
53
+ import prefuse.controls.FocusControl;
54
+ import prefuse.controls.NeighborHighlightControl;
55
+ import prefuse.controls.PanControl;
56
+ import prefuse.controls.ToolTipControl;
57
+ import prefuse.controls.WheelZoomControl;
58
+ import prefuse.controls.ZoomControl;
59
+ import prefuse.controls.ZoomToFitControl;
60
+ import prefuse.data.Graph;
61
+ import prefuse.data.Node;
62
+ import prefuse.data.search.PrefixSearchTupleSet;
63
+ import prefuse.data.search.SearchTupleSet;
64
+ import prefuse.render.DefaultRendererFactory;
65
+ import prefuse.render.EdgeRenderer;
66
+ import prefuse.render.LabelRenderer;
67
+ import prefuse.util.ColorLib;
68
+ import prefuse.util.GraphicsLib;
69
+ import prefuse.util.display.DisplayLib;
70
+ import prefuse.util.display.ItemBoundsListener;
71
+ import prefuse.visual.VisualGraph;
72
+ import prefuse.visual.VisualItem;
73
+ import toxTree.core.IDecisionCategories;
74
+ import toxTree.core.IDecisionMethod;
75
+ import toxTree.core.IDecisionRule;
76
+ import toxTree.io.Tools;
77
+ import toxTree.tree.Tree2PrefuseGraph;
78
+ import toxTree.ui.tree.categories.CategoriesRenderer;
79
+
80
+ public class TreePrefuse extends Display implements ITreeView {
81
+ /**
82
+ *
83
+ */
84
+ private static final long serialVersionUID = 4945963443432036734L;
85
+ private static final String LABEL = "short";
86
+ public static final String GRAPH = "graph";
87
+ public static final String NODES = "graph.nodes";
88
+ public static final String EDGES = "graph.edges";
89
+
90
+ protected Graph graph;
91
+ protected IDecisionMethod tree;
92
+ protected PropertyChangeSupport propertyChangeSupport;
93
+
94
+ public TreePrefuse(final IDecisionMethod tree, EditTreeActions actions) {
95
+ this(tree,actions,false);
96
+ }
97
+ public TreePrefuse(final IDecisionMethod tree, EditTreeActions actions, boolean forcefieldLayout) {
98
+ // setup a visualisation
99
+ super(new Visualization());
100
+ propertyChangeSupport = new PropertyChangeSupport(this);
101
+ setSize(700, 750);
102
+ setDecisionMethod(tree);
103
+
104
+ m_vis.setValue(EDGES, null, VisualItem.INTERACTIVE, Boolean.TRUE);
105
+
106
+ LabelRenderer nodeRenderer = new LabelRenderer(LABEL);
107
+ nodeRenderer.setRoundedCorner(8, 8);
108
+ EdgeRenderer edgeR = new EdgeRenderer(Constants.EDGE_TYPE_CURVE);
109
+ edgeR.setDefaultLineWidth(2);
110
+
111
+ DefaultRendererFactory rendererFactory = new DefaultRendererFactory(nodeRenderer,edgeR);
112
+ m_vis.setRendererFactory(rendererFactory);
113
+
114
+ ColorAction nodeText = new ColorAction(NODES, VisualItem.TEXTCOLOR);
115
+ nodeText.setDefaultColor(ColorLib.gray(0));
116
+ ColorAction nodeStroke = new ColorAction(NODES, VisualItem.STROKECOLOR);
117
+ nodeStroke.setDefaultColor(ColorLib.gray(100));
118
+ //ColorAction nodeFill = new ColorAction(NODES, VisualItem.FILLCOLOR);
119
+ //nodeFill.setDefaultColor(ColorLib.gray(255));
120
+ ColorAction edgeStrokes = new ColorAction(EDGES, VisualItem.STROKECOLOR);
121
+ edgeStrokes.setDefaultColor(ColorLib.gray(100));
122
+ /*
123
+ ColorAction edgeFill = new ColorAction(EDGES, VisualItem.FILLCOLOR);
124
+ edgeFill.setDefaultColor(ColorLib.gray(100));
125
+ */
126
+
127
+ DataColorAction nodeFill = new DataColorAction(NODES, Tree2PrefuseGraph.FIELD_NODETYPE,
128
+ Constants.NOMINAL, VisualItem.FILLCOLOR, createPalette(tree));
129
+
130
+ nodeFill.add(VisualItem.HIGHLIGHT, ColorLib.rgb(255,0,0));
131
+
132
+ // bundle the color actions
133
+ ActionList draw = new ActionList();
134
+ //draw.add(shape);
135
+ draw.add(nodeText);
136
+ draw.add(nodeStroke);
137
+ draw.add(nodeFill);
138
+ draw.add(edgeStrokes);
139
+
140
+ ColorAction edgeStrokeColor = new ColorAction(EDGES,
141
+ VisualItem.STROKECOLOR, ColorLib.gray(200));
142
+ ColorAction edgeFillColor = new ColorAction(EDGES,
143
+ VisualItem.FILLCOLOR, ColorLib.gray(200));
144
+ /* doesn't compile with current prefuse library
145
+ *
146
+ edgeStrokeColor.add(ExpressionParser.predicate("answer == '" + AbstractRule.MSG_YES + "'"), ColorLib.rgba(0,255,0,100));
147
+ edgeStrokeColor.add(ExpressionParser.predicate("answer == '" + AbstractRule.MSG_NO + "'"), ColorLib.rgba(255,0,0,100));
148
+
149
+ edgeFillColor.add(ExpressionParser.predicate("answer == '" + AbstractRule.MSG_YES + "'"), ColorLib.rgba(0,255,0,100));
150
+ edgeFillColor.add(ExpressionParser.predicate("answer == '" + AbstractRule.MSG_NO + "'"), ColorLib.rgba(255,0,0,100));
151
+ */
152
+
153
+ draw.add(edgeStrokeColor);
154
+ draw.add(edgeFillColor);
155
+
156
+ m_vis.putAction("draw", draw);
157
+
158
+ /*
159
+
160
+ */
161
+
162
+ // create an action list with an animated layout
163
+ // the INFINITY parameter tells the action list to run indefinitely
164
+ if (forcefieldLayout) {
165
+ ActionList layout = new ActionList(Activity.INFINITY);
166
+ layout.add(new ForceDirectedLayout(GRAPH));
167
+ layout.add(new RepaintAction());
168
+ m_vis.putAction("treeLayout", layout);
169
+ } else {
170
+ Layout treeLayout = new NodeLinkTreeLayout(GRAPH, Constants.ORIENT_TOP_BOTTOM,10,10,10);
171
+ ((NodeLinkTreeLayout)treeLayout).setRootNodeOffset(10);
172
+ m_vis.putAction("treeLayout", treeLayout);
173
+ }
174
+
175
+
176
+
177
+
178
+ ToolTipControl ttc = new ToolTipControl(Tree2PrefuseGraph.FIELD_EXPLANATION);
179
+ addControlListener(ttc);
180
+ FocusControl fc = new FocusControl() {
181
+ @Override
182
+ public void itemClicked(VisualItem item, MouseEvent e) {
183
+ // TODO Auto-generated method stub
184
+ super.itemClicked(item, e);
185
+ Object o = null;
186
+ int no = item.getInt(Tree2PrefuseGraph.FIELD_ID);
187
+ if (no > 0)
188
+ o = tree.getRule(no-1);
189
+
190
+ if (e.getButton() == MouseEvent.BUTTON1) {
191
+ if (o instanceof IDecisionRule) {
192
+ propertyChangeSupport.firePropertyChange(Tree2PrefuseGraph.FIELD_RULE, null,o);
193
+ }
194
+ } else {
195
+ if (e.isPopupTrigger()) {
196
+ JPopupMenu pm = getPopupMenu();
197
+ if (pm != null)
198
+ pm.show(e.getComponent(),e.getX(), e.getY());
199
+ }
200
+
201
+ }
202
+ }
203
+ };
204
+ addControlListener(fc);
205
+ /*
206
+ Interactive controls of the display are specified using the Control objects found in prefuse.controls.
207
+ These controls might be to handle tool tips (ToolTipControl), hovering the mouse (HoverActionControl),
208
+ or the focusing of items the user clicks on (FocusControl).
209
+ Other controls that don't affect the data include the DragControl, PanControl, and the ZoomControl.
210
+ */
211
+ /*
212
+ addControlListener(new HoverActionControl("repaint"));
213
+ ColorAction colorAction = new ColorAction(FIELD_ID, VisualItem.FILLCOLOR, ColorLib.rgba(255,255,255,0));
214
+ colorAction.add("_hover", ColorLib.gray(200,210));
215
+
216
+ // adds the control
217
+ addControlListener(new NeighborHighlightControl());
218
+ // set the _highlight color
219
+ colorAction = new ColorAction(FIELD_ID, VisualItem.FILLCOLOR, ColorLib.rgba(255,255,255,0));
220
+ colorAction.add("_highlight", ColorLib.rgb(255,200,125));
221
+ */
222
+
223
+ addControlListener(new FocusControl(1));
224
+ addControlListener(new DragControl());
225
+ addControlListener(new PanControl());
226
+ addControlListener(new ZoomControl());
227
+ addControlListener(new WheelZoomControl());
228
+ addControlListener(new ZoomToFitControl());
229
+ addControlListener(new NeighborHighlightControl());
230
+ //addControlListener(new RotationControl());
231
+
232
+ addControlListener(new ControlAdapter() {
233
+ public void itemEntered(VisualItem item, MouseEvent e) {
234
+
235
+ //System.out.println("itemEntered " + item.get);
236
+
237
+
238
+
239
+ }
240
+ public void itemExited(VisualItem item, MouseEvent e) {
241
+ /*
242
+ System.out.println(e.paramString());
243
+
244
+ if ( item.canGetInt(Tree2PrefuseGraph.FIELD_ID) ) {
245
+ int no = item.getInt(Tree2PrefuseGraph.FIELD_ID);
246
+ if (no > 0)
247
+ System.out.println(Integer.toString(no) + '\t' + tree.getRule(no-1));
248
+
249
+ }
250
+ */
251
+ }
252
+ });
253
+
254
+ SearchTupleSet search = new PrefixSearchTupleSet();
255
+ m_vis.addFocusGroup(Visualization.SEARCH_ITEMS, search);
256
+
257
+ // run actions
258
+ m_vis.run("treeLayout");
259
+ m_vis.run("draw");
260
+ }
261
+
262
+ public void setDecisionMethod(IDecisionMethod decisionMethod) {
263
+ this.tree = decisionMethod;
264
+ try {
265
+ initGraph(tree);
266
+ } catch (Exception x) {
267
+ x.printStackTrace();
268
+ graph = new Graph();
269
+ }
270
+
271
+ }
272
+ public JComponent getJComponent() {
273
+ return this;
274
+ }
275
+
276
+ protected int[] createPalette(IDecisionMethod tree) {
277
+ if ((tree != null) && (tree.getCategories().size() > 0)) {
278
+ IDecisionCategories ct = tree.getCategories();
279
+ CategoriesRenderer r = new CategoriesRenderer(ct);
280
+ int[] c = new int[ct.size() + 1];
281
+ c[0] = ColorLib.rgb(250,250,250);
282
+ for (int i=0; i < ct.size();i++) {
283
+ Color clr = r.getShowColor(i);
284
+ c[i+1] = clr.getRGB();
285
+ }
286
+ return c;
287
+ } else
288
+ return new int[] {
289
+ ColorLib.rgb(250,250,250), ColorLib.rgb(100,100,255),
290
+ ColorLib.rgb(100,255,100),ColorLib.rgb(255,100,100),
291
+ ColorLib.rgb(100,255,255),ColorLib.rgb(255,100,255),
292
+ ColorLib.rgb(255,255,100),ColorLib.rgb(100,100,100),
293
+ ColorLib.rgb(0,255,0)
294
+ };
295
+
296
+ }
297
+ private VisualGraph initGraph(IDecisionMethod tree) throws Exception {
298
+ graph = new Graph(true);
299
+ /*
300
+ public Graph(Table nodes, Table edges, boolean directed,
301
+ String nodeKey, String sourceKey, String targetKey)
302
+ */
303
+ Tree2PrefuseGraph tg = new Tree2PrefuseGraph(graph);
304
+ Node root = tg.walkRules(tree);
305
+ VisualGraph vg = m_vis.addGraph(GRAPH, graph);
306
+ //vg.addColumn(LABEL,"CONCAT([id], [name])");
307
+ return vg;
308
+ }
309
+
310
+ public Display getOverview() {
311
+ // overview display
312
+ Display overview = new Display(m_vis);
313
+ overview.setSize(290,290);
314
+ overview.addItemBoundsListener(new FitOverviewListener());
315
+ return overview;
316
+ }
317
+
318
+ public IDecisionMethod getDecisionMethod() {
319
+ return tree;
320
+ }
321
+ public void addSelectRuleListener(PropertyChangeListener listener) {
322
+ propertyChangeSupport.addPropertyChangeListener(listener);
323
+ }
324
+
325
+ public JPopupMenu getPopupMenu() {
326
+ // TODO Auto-generated method stub
327
+ return null;
328
+ }
329
+ public Action getHelpAction() {
330
+ Action a = new AbstractAction("Help",Tools.getImage("help.png")) {
331
+
332
+ /**
333
+ *
334
+ */
335
+ private static final long serialVersionUID = 6907883029421002289L;
336
+
337
+ public void actionPerformed(ActionEvent arg0) {
338
+ showHelp();
339
+ }
340
+ };
341
+ a.putValue(Action.SHORT_DESCRIPTION, getHelp());
342
+ return a;
343
+ }
344
+ protected String getHelp() {
345
+ StringBuffer b = new StringBuffer();
346
+ b.append("<html>");
347
+ b.append("<ul>");
348
+ b.append("<li>");
349
+ b.append("<b>Panning: </b>Pans the display, changing the viewable region of the visualization.");
350
+ b.append("<br>Panning is accomplished by clicking on the background of a");
351
+ b.append(" visualization with the left mouse button and then dragging.");
352
+ b.append("<li>");
353
+ b.append("<b>Zooming: </b>");
354
+ b.append("Zooms the display, changing the scale of the viewable region.<br>");
355
+ b.append("Zooming is achieved by pressing the right mouse button on the background");
356
+ b.append("of the visualization and dragging the mouse up or down. <br>Moving the mouse up");
357
+ b.append("zooms out the display around the spot the mouse was originally pressed.");
358
+ b.append("<br>Moving the mouse down similarly zooms in the display, making items larger" );
359
+ b.append("<br>Also the display might be zoomed by using the mouse scroll wheel, changing the scale of the viewable region.");
360
+ b.append("<li>");
361
+ b.append("<b>Dragging: </b>Changes a node's location when dragged on screen. ");
362
+ b.append("<li>");
363
+ b.append("<b>Fit to screen: </b>Zooms a display such that all items within a given group will fit within ");
364
+ b.append("the display bounds.<br> Click the right mouse button once, with no dragging.");
365
+ b.append("</ul>");
366
+ b.append("</html>");
367
+ return b.toString();
368
+ }
369
+ protected void showHelp() {
370
+ JOptionPane.showMessageDialog(this, getHelp(), "Help",JOptionPane.PLAIN_MESSAGE, null);
371
+ }
372
+ }
373
+
374
+ class FitOverviewListener implements ItemBoundsListener {
375
+ private Rectangle2D m_bounds = new Rectangle2D.Double();
376
+ private Rectangle2D m_temp = new Rectangle2D.Double();
377
+ private double m_d = 15;
378
+ public void itemBoundsChanged(Display d) {
379
+ d.getItemBounds(m_temp);
380
+ GraphicsLib.expand(m_temp, 25/d.getScale());
381
+
382
+ double dd = m_d/d.getScale();
383
+ double xd = Math.abs(m_temp.getMinX()-m_bounds.getMinX());
384
+ double yd = Math.abs(m_temp.getMinY()-m_bounds.getMinY());
385
+ double wd = Math.abs(m_temp.getWidth()-m_bounds.getWidth());
386
+ double hd = Math.abs(m_temp.getHeight()-m_bounds.getHeight());
387
+ if ( xd>dd || yd>dd || wd>dd || hd>dd ) {
388
+ m_bounds.setFrame(m_temp);
389
+ DisplayLib.fitViewToBounds(d, m_bounds, 0);
390
+ }
391
+ }
392
+ }
393
+