nmr-processing 6.0.0 → 6.0.1

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (213) hide show
  1. package/lib/assignment/get1HAssignments.d.ts +2 -2
  2. package/lib/{types → assignment}/nmrAssigment.d.ts +2 -2
  3. package/lib/{types → assignment}/nmrAssigment.js +0 -0
  4. package/lib/assignment/nmrAssigment.js.map +1 -0
  5. package/lib/assignment/utils/createMapPossibleAssignments.d.ts +1 -1
  6. package/lib/databases/DatabaseNMREntry.d.ts +1 -1
  7. package/lib/index.d.ts +8 -9
  8. package/lib/ml-matrix-convolution.d.ts +8 -0
  9. package/lib/ml-matrix-convolution.js +2 -0
  10. package/lib/ml-matrix-convolution.js.map +1 -0
  11. package/lib/ml-simple-clustering.d.ts +8 -0
  12. package/lib/ml-simple-clustering.js +2 -0
  13. package/lib/ml-simple-clustering.js.map +1 -0
  14. package/lib/{types → peaks}/NMRPeak1D.d.ts +0 -0
  15. package/lib/{types → peaks}/NMRPeak1D.js +0 -0
  16. package/{lib-esm/types → lib/peaks}/NMRPeak1D.js.map +1 -1
  17. package/lib/peaks/peaksFilterImpurities.d.ts +1 -1
  18. package/lib/peaks/peaksFilterImpurities.js.map +1 -1
  19. package/lib/peaks/peaksToRanges.d.ts +2 -2
  20. package/lib/peaks/util/jAnalyzer.d.ts +2 -2
  21. package/lib/peaks/util/joinRanges.d.ts +1 -1
  22. package/lib/peaks/util/peakOptimizer.d.ts +1 -1
  23. package/lib/{types → prediction}/dataStructure.d.ts +0 -0
  24. package/lib/{types → prediction}/dataStructure.js +0 -0
  25. package/lib/prediction/dataStructure.js.map +1 -0
  26. package/lib/prediction/predictAll.d.ts +1 -1
  27. package/lib/prediction/predictAll.js.map +1 -1
  28. package/lib/prediction/predictCOSY.d.ts +1 -1
  29. package/lib/prediction/predictCOSY.js.map +1 -1
  30. package/lib/prediction/predictCarbon.d.ts +2 -2
  31. package/lib/prediction/predictCarbon.js.map +1 -1
  32. package/lib/prediction/predictHMBC.d.ts +1 -1
  33. package/lib/prediction/predictHMBC.js.map +1 -1
  34. package/lib/prediction/predictHSQC.d.ts +1 -1
  35. package/lib/prediction/predictHSQC.js.map +1 -1
  36. package/lib/prediction/predictProton.d.ts +1 -1
  37. package/lib/prediction/predictProton.js.map +1 -1
  38. package/lib/{types → prediction}/prediction1D.d.ts +2 -2
  39. package/lib/{types → prediction}/prediction1D.js +0 -0
  40. package/lib/prediction/prediction1D.js.map +1 -0
  41. package/lib/prediction/utils/fetchPrediction.d.ts +1 -1
  42. package/lib/prediction/utils/getFilteredIDiaIDs.d.ts +1 -1
  43. package/lib/prediction/utils/getPredictions.d.ts +1 -1
  44. package/lib/prediction/utils/predict2D.d.ts +2 -2
  45. package/lib/prediction/utils/queryByHOSE.d.ts +1 -1
  46. package/lib/ranges/rangesToACS.d.ts +1 -1
  47. package/lib/ranges/rangesToXY.d.ts +1 -1
  48. package/lib/ranges/rangesToXY.js.map +1 -1
  49. package/lib/signal/signalJoinCouplings.d.ts +1 -1
  50. package/lib/signal/signalMultiplicityPattern.d.ts +1 -1
  51. package/lib/{types → signals}/NMRSignal1D.d.ts +1 -1
  52. package/lib/{types → signals}/NMRSignal1D.js +0 -0
  53. package/lib/{types → signals}/NMRSignal1D.js.map +1 -1
  54. package/lib/signals/hackSignalsToXY.d.ts +1 -1
  55. package/lib/{types → signals}/jcoupling.d.ts +0 -0
  56. package/lib/{types → signals}/jcoupling.js +0 -0
  57. package/lib/{types → signals}/jcoupling.js.map +1 -1
  58. package/lib/signals/signals2DToZ.d.ts +1 -1
  59. package/lib/signals/signalsJoin.d.ts +3 -3
  60. package/lib/signals/signalsJoin.js.map +1 -1
  61. package/lib/signals/signalsToRanges.d.ts +2 -2
  62. package/lib/signals/signalsToRanges.js.map +1 -1
  63. package/lib/signals/signalsToXY.d.ts +1 -1
  64. package/lib/signals/simulation/signalsToSpinSystem.d.ts +2 -2
  65. package/lib/signals/simulation/simulate1D.d.ts +1 -1
  66. package/lib/signals/simulation/splitSpinSystem.d.ts +1 -1
  67. package/lib/{types → signals}/spinSystem.d.ts +0 -0
  68. package/lib/{types → signals}/spinSystem.js +0 -0
  69. package/lib/{types → signals}/spinSystem.js.map +1 -1
  70. package/lib/{types → utilities}/MakeMandatory.d.ts +0 -0
  71. package/lib/{types → utilities}/MakeMandatory.js +0 -0
  72. package/lib/utilities/MakeMandatory.js.map +1 -0
  73. package/lib/utilities/rangeFromSignal.d.ts +1 -1
  74. package/lib/utilities/resurrect.d.ts +1 -1
  75. package/lib/utilities/resurrectRange.d.ts +1 -1
  76. package/lib/{types → xy}/NMRRange.d.ts +1 -1
  77. package/lib/{types → xy}/NMRRange.js +0 -0
  78. package/lib/{types → xy}/NMRRange.js.map +1 -1
  79. package/lib/xy/xyAutoRangesPicking.d.ts +2 -2
  80. package/lib/xy/xyAutoRangesPicking.js.map +1 -1
  81. package/lib/{types → xyz}/NMRSignal2D.d.ts +0 -1
  82. package/lib/{types → xyz}/NMRSignal2D.js +0 -0
  83. package/lib/{types → xyz}/NMRSignal2D.js.map +1 -1
  84. package/lib/{types → xyz}/NMRZone.d.ts +0 -0
  85. package/lib/{types → xyz}/NMRZone.js +0 -0
  86. package/lib/{types → xyz}/NMRZone.js.map +1 -1
  87. package/lib/xyz/xyzAutoZonesPicking.d.ts +2 -2
  88. package/lib/xyz/xyzAutoZonesPicking.js.map +1 -1
  89. package/lib/xyz/xyzJResAnalyzer.d.ts +1 -1
  90. package/lib/xyz/xyzJResAnalyzer.js.map +1 -1
  91. package/lib-esm/{types → assignment}/nmrAssigment.js +0 -0
  92. package/lib-esm/assignment/nmrAssigment.js.map +1 -0
  93. package/lib-esm/ml-matrix-convolution.js +2 -0
  94. package/lib-esm/ml-matrix-convolution.js.map +1 -0
  95. package/lib-esm/ml-simple-clustering.js +2 -0
  96. package/lib-esm/ml-simple-clustering.js.map +1 -0
  97. package/lib-esm/{types → peaks}/NMRPeak1D.js +0 -0
  98. package/{lib/types → lib-esm/peaks}/NMRPeak1D.js.map +1 -1
  99. package/lib-esm/peaks/peaksFilterImpurities.js.map +1 -1
  100. package/lib-esm/{types → prediction}/dataStructure.js +0 -0
  101. package/lib-esm/prediction/dataStructure.js.map +1 -0
  102. package/lib-esm/prediction/predictAll.js.map +1 -1
  103. package/lib-esm/prediction/predictCOSY.js.map +1 -1
  104. package/lib-esm/prediction/predictCarbon.js.map +1 -1
  105. package/lib-esm/prediction/predictHMBC.js.map +1 -1
  106. package/lib-esm/prediction/predictHSQC.js.map +1 -1
  107. package/lib-esm/prediction/predictProton.js.map +1 -1
  108. package/lib-esm/{types → prediction}/prediction1D.js +0 -0
  109. package/lib-esm/prediction/prediction1D.js.map +1 -0
  110. package/lib-esm/ranges/rangesToXY.js.map +1 -1
  111. package/lib-esm/{types → signals}/NMRSignal1D.js +0 -0
  112. package/lib-esm/{types → signals}/NMRSignal1D.js.map +1 -1
  113. package/lib-esm/{types → signals}/jcoupling.js +0 -0
  114. package/lib-esm/{types → signals}/jcoupling.js.map +1 -1
  115. package/lib-esm/signals/signalsJoin.js.map +1 -1
  116. package/lib-esm/signals/signalsToRanges.js.map +1 -1
  117. package/lib-esm/{types → signals}/spinSystem.js +0 -0
  118. package/lib-esm/{types → signals}/spinSystem.js.map +1 -1
  119. package/lib-esm/{types → utilities}/MakeMandatory.js +0 -0
  120. package/lib-esm/utilities/MakeMandatory.js.map +1 -0
  121. package/lib-esm/{types → xy}/NMRRange.js +0 -0
  122. package/lib-esm/{types → xy}/NMRRange.js.map +1 -1
  123. package/lib-esm/xy/xyAutoRangesPicking.js.map +1 -1
  124. package/lib-esm/{types → xyz}/NMRSignal2D.js +0 -0
  125. package/lib-esm/{types → xyz}/NMRSignal2D.js.map +1 -1
  126. package/lib-esm/{types → xyz}/NMRZone.js +0 -0
  127. package/lib-esm/{types → xyz}/NMRZone.js.map +1 -1
  128. package/lib-esm/xyz/xyzAutoZonesPicking.js.map +1 -1
  129. package/lib-esm/xyz/xyzJResAnalyzer.js.map +1 -1
  130. package/package.json +10 -10
  131. package/src/assignment/get13CAssignments.ts +1 -1
  132. package/src/assignment/get1HAssignments.ts +2 -2
  133. package/src/{types → assignment}/nmrAssigment.ts +2 -2
  134. package/src/assignment/utils/createMapPossibleAssignments.ts +1 -1
  135. package/src/databases/DatabaseNMREntry.ts +1 -1
  136. package/src/index.ts +8 -9
  137. package/src/{types/ml-levenberg-marquardt/index.d.ts → ml-levenberg-marquardt.d.ts} +0 -0
  138. package/src/{types/ml-matrix-convolution/index.d.ts → ml-matrix-convolution.ts} +0 -0
  139. package/src/{types/ml-matrix-peaks-finder/index.d.ts → ml-matrix-peaks-finder.d.ts} +0 -0
  140. package/src/{types/ml-simple-clustering/index.d.ts → ml-simple-clustering.ts} +0 -0
  141. package/src/{types/ml-sparse-matrix/index.d.ts → ml-sparse-matrix.d.ts} +0 -0
  142. package/src/{types/ml-spectra-processing/index.d.ts → ml-spectra-processing.d.ts} +0 -0
  143. package/src/{types/ml-tree-set/index.d.ts → ml-tree-set.d.ts} +0 -0
  144. package/src/{types/modules/nmr-parser.ts → nmr-parser.d.ts} +0 -0
  145. package/src/{types/openchemlib-utils/index..d.ts → openchemlib.d.ts} +0 -0
  146. package/src/{types → peaks}/NMRPeak1D.ts +0 -0
  147. package/src/peaks/peaksFilterImpurities.ts +2 -1
  148. package/src/peaks/peaksToRanges.ts +4 -4
  149. package/src/peaks/util/jAnalyzer.ts +2 -2
  150. package/src/peaks/util/joinRanges.ts +1 -1
  151. package/src/peaks/util/peakOptimizer.ts +1 -1
  152. package/src/{types → prediction}/dataStructure.ts +0 -0
  153. package/src/prediction/predictAll.ts +1 -2
  154. package/src/prediction/predictCOSY.ts +1 -2
  155. package/src/prediction/predictCarbon.ts +4 -4
  156. package/src/prediction/predictHMBC.ts +1 -2
  157. package/src/prediction/predictHSQC.ts +1 -2
  158. package/src/prediction/predictProton.ts +3 -2
  159. package/src/{types → prediction}/prediction1D.ts +2 -2
  160. package/src/prediction/utils/fetchPrediction.ts +1 -1
  161. package/src/prediction/utils/getPredictions.ts +1 -1
  162. package/src/prediction/utils/predict2D.ts +4 -4
  163. package/src/prediction/utils/queryByHOSE.ts +1 -1
  164. package/src/ranges/rangesToACS.ts +2 -2
  165. package/src/ranges/rangesToXY.ts +3 -3
  166. package/src/signal/signalJoinCouplings.ts +3 -3
  167. package/src/signal/signalMultiplicityPattern.ts +1 -1
  168. package/src/{types → signals}/NMRSignal1D.ts +2 -1
  169. package/src/signals/hackSignalsToXY.ts +2 -2
  170. package/src/{types → signals}/jcoupling.ts +0 -0
  171. package/src/signals/signals2DToZ.ts +1 -1
  172. package/src/signals/signalsJoin.ts +4 -3
  173. package/src/signals/signalsToRanges.ts +4 -3
  174. package/src/signals/signalsToXY.ts +3 -3
  175. package/src/signals/simulation/signalsToSpinSystem.ts +4 -4
  176. package/src/signals/simulation/simulate1D.ts +1 -1
  177. package/src/signals/simulation/splitSpinSystem.ts +1 -1
  178. package/src/{types → signals}/spinSystem.ts +0 -0
  179. package/src/{types → utilities}/MakeMandatory.ts +0 -0
  180. package/src/utilities/rangeFromSignal.ts +1 -1
  181. package/src/utilities/resurrect.ts +1 -1
  182. package/src/utilities/resurrectRange.ts +2 -2
  183. package/src/{types → xy}/NMRRange.ts +1 -1
  184. package/src/xy/xyAutoRangesPicking.ts +3 -2
  185. package/src/{types → xyz}/NMRSignal2D.ts +0 -2
  186. package/src/{types → xyz}/NMRZone.ts +0 -0
  187. package/src/xyz/xyzAutoZonesPicking.ts +4 -3
  188. package/src/xyz/xyzJResAnalyzer.ts +3 -2
  189. package/lib/types/MakeMandatory.js.map +0 -1
  190. package/lib/types/XYNumberArray.d.ts +0 -4
  191. package/lib/types/XYNumberArray.js +0 -3
  192. package/lib/types/XYNumberArray.js.map +0 -1
  193. package/lib/types/dataStructure.js.map +0 -1
  194. package/lib/types/modules/nmr-parser.d.ts +0 -11
  195. package/lib/types/modules/nmr-parser.js +0 -2
  196. package/lib/types/modules/nmr-parser.js.map +0 -1
  197. package/lib/types/nmrAssigment.js.map +0 -1
  198. package/lib/types/prediction1D.js.map +0 -1
  199. package/lib/types/prediction2D.d.ts +0 -0
  200. package/lib/types/prediction2D.js +0 -2
  201. package/lib/types/prediction2D.js.map +0 -1
  202. package/lib-esm/types/MakeMandatory.js.map +0 -1
  203. package/lib-esm/types/XYNumberArray.js +0 -2
  204. package/lib-esm/types/XYNumberArray.js.map +0 -1
  205. package/lib-esm/types/dataStructure.js.map +0 -1
  206. package/lib-esm/types/modules/nmr-parser.js +0 -2
  207. package/lib-esm/types/modules/nmr-parser.js.map +0 -1
  208. package/lib-esm/types/nmrAssigment.js.map +0 -1
  209. package/lib-esm/types/prediction1D.js.map +0 -1
  210. package/lib-esm/types/prediction2D.js +0 -2
  211. package/lib-esm/types/prediction2D.js.map +0 -1
  212. package/src/types/XYNumberArray.ts +0 -4
  213. package/src/types/prediction2D.ts +0 -0
package/src/types/XYNumberArray.ts DELETED
@@ -1,4 +0,0 @@
1
- export interface XYNumberArray {
2
- x: Array<number> | Float64Array;
3
- y: Array<number> | Float64Array;
4
- }
package/src/types/prediction2D.ts DELETED
File without changes